Scientific Program

Day 1

KEYNOTE SPEAKERS
  • Greener strategies for organics and nanomaterials: sustainable applications of magnetic nanocatalysts and modified graphitic carbon nitrides

    U.S. Environmental Protection Agency
    USA
    Biography

    Prof. Rajender S. Varma (H-Index 90) was born in India (Ph.D., Delhi University 1976). After postdoctoral research at Robert Robinson Laboratories, Liverpool, UK, he was faculty at Baylor College of Medicine and Sam Houston State University prior to joining Sustainable Technology Division at US EPA in 1999 and Palacky University, Czech Republic (2014).

    Abstract

    Sustainable efforts for the greener synthesis of diverse nanoparticles and their varied applications as recyclable and reusable nano-catalysts are important in this burgeoning field. Vitamins B1, B2, C, beet juice, antioxidants from blackberry, blueberry, pomegranate, turmeric and tea- and wine polyphenols, provide simple approach to bulk quantities of nanomaterials in eco-friendly medium. Synthesis via microwave (MW)-assisted spontaneous reduction of noble metal salts with sugars, MW cross-linking reaction of poly (vinyl alcohol) (PVA) with metallic systems and CNT’s, formation of biodegradable cellulose composite films with noble metals; and the shape-controlled bulk synthesis of Ag and Fe nanorods in PEG will be depicted. MW process delivers magnetic nanoferrites and micro-pine structured catalysts from common metal salts. Sustainable route to nanoparticles using waste from winery or biodiesel byproduct, glycerol and their applications in catalysis (magnetic nanocatalysts or organocatalysis), toxicity and environmental remediation will be highlighted, especially their recyclability and reuse via magnetic separation. The utility of nano-catalysts (Pd, Ni, Ru, Ce, Cu, etc.) immobilized on biodegradable and recyclable supports e.g. cellulose and chitosan or on magnetic ferrites via ligands such as dopamine or glutathione will be presented. The utility of heterogenized bimetallic Ag-Pd nanoparticles on graphitic carbon nitride (AgPd@g-C3N4) will be highlighted and exemplified by upgrading of biofuel via hydrodeoxygenation of vanillin under visible light irradiation using formic acid as a hydrogen source including direct aminoformylation of nitroarenes. Photocatalytic C-H activation using VO@g-C3N4 catalyst for direct oxidative esterification of alcohols, oxygen insertion reaction in hydrocarbons and selective oxidation of alcohols and hydrogenation of alkenes and alkynes using visible light as the source of energy will be described; these strategies fulfill most of green chemistry principles whilst producing functional chemicals with extreme level of waste minimization.

  • Valorizing Lignin

    The University of Tennessee-Knoxville
    USA
    Abstract

    The advent of commercial cellulosic ethanol production facilities globally, has brought to the forefront the need to address lignin valorization technologies. (1) Historically, the kraft pulp and paper industry addressed lignin generation issues by developing advanced combustion technologies to recover energy and cooking chemicals. But even this industry has begun to implement lignin recovery technologies and examine the use of lignin for material and chemical applications. (2) In the biofuel industry, lignin represents ~15-30% of the starting material and currently the only practical solution is combustion and yet this provides limited value while incurring high capital costs. Since lignin, is nature’s primary polyaromatic bioresource it is clear that better solutions are needed. The historical challenges to utilization of lignin are several folds including variation of structure due to feedstock, broad variations in molecular weight and functionality and alterations in structure due to process isolation technologies. Currently, several of these are now being resolved, analytical advances facilitate precise determination of structure, lignin fractionation technologies provide control of the structure of lignin and novel catalytic conversion methodologies are being developed. (3) Our research studies have identified fractionation/pretreatments that predispose lignin for oleaginous organisms that utilize lignin to biosynthesize lipids which are a natural resource for biodiesel. (4) Likewise, lignin can be used for material applications and one of the promising routes is for green insulation as a lignin-based polyurethane foam. In this presentation we will examine these two conversion technologies and how they complement each other and how advances in lignin analytical chemistry help guide our conversion chemistry.

  • Novel heterogeneous catalysts and processes for biomass derivatives transformations into fuels and chemicals

    Instituto de Tecnología Química, ITQ (UPV - CSIC)
    Spain
    Abstract

    A wide range of renewable raw materials and products can be easily obtained from ligno-cellulosic biomass and their derivatives in both polymeric (i.e. cellulose, starch, lignin) and monomeric (i.e. sugars, polyols, phenols) forms. These biobased platform compounds could be converted into a large variety of chemical products and fuels to replace non-renewable fossil raw materials. The attainment of these bio-products is environmentally more favorable than that of their petroleum derived analogues, but also more expensive due to the lack of simple and efficient synthesis processes. In this sense, it is necessary to develop new highly selective catalytic processes allowing obtaining these bio-products in a competitive way (with lower energy consumption and higher profits) compared to conventional petro-products. Aligned with the new bio-economy and zero-waste concepts, the new bio-refineries should produce these bio-products for fuels and chemicals applications by reducing wastes, this includes both decreasing of side-products formation and residual effluents valorization in an integrated approach. In this presentation, the application of novel solid catalysts (with well controlled acid/base and redox properties) recently developed at ITQ for the efficient transformation of biomass derivatives into high added value products will be assessed. Particularly, catalytic processes for the production of chemicals starting from furfural will be discussed, such as i) the selective hydrogenation of furfural to tetrahydrofurfuryl alcohol, and ii) the reductive etherification of furfural to tetrahydrofurfuryl alkyl-ethers. In addition, solid catalysts will be evaluated in the production of precursors and components for fuels, such as iii) the hydrolysis/condensation of 2-methyl-furan, and iv) the valorization of oxygenated compounds present in biomass-derived aqueous fractions via ketonization/condensation, among others.

Green Catalysis | Green Synthesis/Reactions | Green Chemistry
Chair
Co-Chair
Speaker
  • Lipase-metal integrated catalysis for quantitative conversion of racemic alcohols into optically pure compounds
    Speaker
    Shuji Akai
    Osaka University
    Japan
    Abstract

    Hydrolase-catalyzed kinetic resolution (KR) of racemic alcohols in organic media is one of the most common approaches used to obtain optically pure alcohols and their corresponding esters. A wide range of hydrolases, such as lipases and esterases, have been utilized for KR, many of which are commercially available as solids immobilized on a support and exhibit high catalytic activity in various organic solvents. Unlike other enzymes, the hydrolases have advantages, such as robustness, high chemo- and stereo-differentiating ability, applicability to a wide range of non-natural substrates, and lack of cofactor dependency. In addition, the hydrolase-catalyzed KR of alcohols has distinct benefits in terms of mild reaction conditions as well as the ease and safety of operation and work-up. However, KR has an inherent limitation as it only gives a maximum 50% yield of products. In this symposium, we present a dynamic kinetic resolution (DKR) method to overcome this issue. DKR is performed using an integration of the lipasecatalyzed KR of racemic alcohols and the in situ racemization of the remaining less reactive enantiomers by V-MPS, in which the oxovanadium species is covalently bound to the inner surface of mesoporous silica (MPS) with a pore size of about 3–4 nm (Figure 1B). Its small pore size completely divides the racemization and kinetic resolution sites, and achieves the perfect compatibility between the oxovanadium moiety and lipases. By the combined use of these two catalysts, racemic alcohols were converted into the optically active esters (R)-3 with up to 99% isolated yield and 99% ee. The preparation of optically active cycloalkenes bearing allcarbon quaternary stereogenic centers was developed by direct use of the acyl moiety of the product. The practical application of these methods has been demonstrated by the asymmetric synthesis of bioactive natural products.

  • Catalytic conversion of carbohydrates in the presence of choline chloride : Use of deep eutectic solvents
    Speaker
    Karine de Oliveira Vigier
    University of Poitiers
    France
    Biography

    Karine de Oliveira Vigier has her expertise in heterogeneous catalysis, deep eutectic solvents, ionic liquids, renewable carbon. Her main field of research consists of the development of unconventional media to assist the catalyst in the control of the selectivity for the conversion of biomass (carbohydrates, furanic derivatives, and glycerol) to fine chemicals and fuels. After a PhD in catalytic conversion of vegetable oils in France, she moved to Canada for a Postdoctoral position. She is now an Associate Professor at the Institute of Chemistry of Poitiers (IC2MP) in France since 2004. She has received the Young Researcher prize from the Catalysis Division of the French Chemical Society and she is the member of the Editorial Advisory Board of the ACS Sustainable Chemistry & Engineering journal.

    Abstract

    The catalytic conversion of carbohydrates to value added chemicals or platform molecules is the topic of numerous researches. One of the challenges is the use of a selective and stable catalyst, and also the nature of the solvent that allows the dissolution of highly concentrated carbohydrates which is environmental friendly. An interesting class of solvents is gaining more and more attention: Deep Eutectic Solvents (DES) or Low Melting Mixtures (LMM). Formation of these solvents can be obtained by simply mixing together two safe components, (cheap, renewable and biodegradable) which are capable of forming a eutectic mixture or a low melting mixture. One of the most widespread components used for the formation of these solvents is choline chloride (ChCl). ChCl is a very cheap, biodegradable and non toxic quaternary ammonium salts which can be either extracted from biomass or readily synthesized from fossil reserves (million metric tons) through a very high atom economy process. In combination with safe hydrogen bond donors such as carbohydrates, ChCl is capable of rapidly forming a DES/LMM. We have studied several catalytic conversions of carbohydrates. One of the reactions studied was the dehydration of fructose and glucose to produce 5-hydroxymethylfurfural. We have shown that high yield to HMF can be obtained when ChCl was added to the carbohydrates. Moreover, concentrated solution of carbohydrates could be used in some cases, which is a high advantage in the carbohydrates chemistry. Another reaction studied was the catalytic conversion of fructose to diformylfuran (DFF) in a one pot process. In all these studies, it was shown that ChCl can help control the selectivity of the reaction by providing interactions with the furanic derivatives avoiding their degradation. Some new insights of the mechanism will be provided.

  • Elucidation of the electronic structure of metal-oxo reactive species in porous media for the oxidation of methane and ethane
    Speaker
    Konstantinos D. Vogiatzis
    The University of Tennessee-Knoxville
    USA
    Biography

    Konstantinos D Vogiatzis completed his BS in Chemistry at the University of Athens, Greece, in 2006 and he obtained his Master’s (MSc) in Applied Molecular Spectroscopy from the University of Crete, Greece, in 2008. He received his PhD in 2012 from the Karlsruhe Institute of Technology, Germany, where he developed a highly accurate coupled-cluster scheme in the group of Prof. Wim Klopper. After an eight-month Post-doctoral appointment at the Institute of Nanotechnology at the Karlsruhe Institute of Technology, Germany, he moved to the University of Minnesota (UMN) in 2014 where he performed Post-doctoral Research in the group of Prof. Laura Gagliardi. His research at the UMN focused on the catalytic and sorption properties of metal-organic frameworks (MOFs), and on the development and application of strongly correlated methods. In 2016, he joined the University of Tennessee as an Assistant Professor of Theoretical and Computational Chemistry.

    Abstract

    High-valent metal-oxo species attract considerable interest due to their catalytic role in oxygenation reactions as active intermediates. A synthetic route that has successfully applied in functional materials is the introduction of reactive species inside porous materials that mimic the nuclearity and reactivity of active sites of enzymatic analogues, such as the methane monooxygenase and non-heme enzymes. Metal-organic frameworks (MOFs) and zeolites are porous materials that can offer advantageous coordination environments for the formation of such highly reactive species. Two such examples will be discussed. The first is the iron-containing MOF, Fe0.1Mg1.9(dobdc) (dobdc4? = 2,5?dioxido?1,4?benzene-dicarboxylate), which was reported to catalyze the oxidation of ethane to ethanol in the presence of nitrous oxide. The catalytic activity of the iron-containing MOF was attributed to an uncommon high-spin iron (IV)-oxo intermediate. The second part of this talk is related to the unique [Cu3O3]2- ring intermediate deposited on the mordenite zeolite. The tricopper cluster site was reported to catalyze the oxidation of methane to methanol. The multireference character of this single-site active site affects its catalytic behavior and thus, its electronic structure was examined by multi-configurational wave function methods.

  • Readily available homogeneous and heterogeneous catalysts for the cycloaddition of CO2 to epoxides: A low carbon-footprint perspective
    Speaker
    Valerio D’ Elia
    Vidyasirimedhi Institute of Science and Technology
    Thailand
    Biography

    Valerio D’ Elia obtained his Master’s in Chemistry from University of Perugia in 2001 and worked as a Scientist at Dompe Pharmaceuticals (L’ Aquila, Italy). He joined the group of Oliver Reiser (Regensburg, Germany) for his Doctoral Studies in 2005. After a period (2009-2010) at the Ludwig Maximilian University in Munich under Hendrik Zipse, he joined Jean Marie Basset at King Abdullah University of Science and Technology (KAUST) Catalysis Center (Saudi Arabia). Since August 2015, he has been a Faculty Member in the School of Molecular Science and Engineering at the Vidyasirimedhi Institute of Science and Technology (VISTEC) in Rayong, Thailand. His main research interests are CO2 Chemistry and Catalysis.

    Abstract

    The conversion of CO2 to chemicals is in the focus of academic and industrial research due to the high demand of viable strategies in alternative to the atmospheric release or geological segregation of carbon dioxide anthropogenic emissions. Cyclic organic carbonates represent a relevant class of chemicals that can be prepared from CO2 by its cycloaddition to epoxides. Importantly they can be applied as chemical intermediates in the industry, as building blocks for polymers, as solvents and as additives in commercial products. Moreover, they are increasingly studied as useful chemical intermediates. A plethora of homogeneous and heterogeneous catalyst has been developed for the title reaction in the last decades, but, in spite of the exothermic nature of the cycloaddition process, only a small fraction of the published systems are able to promote this reaction under ambient conditions. Among such systems there are very simple halides of early transition metals used in combination with nucleophilic co-catalysts that take advantage of their high Lewis acidity for the step of ring opening of the epoxide substrate. Intriguing mechanistic aspects have been identified that suggest a bimetallic step of CO2 activation when NbCl5 is used as a catalyst. This effect has been observed as well for silica supported Nb atoms leading to an unprecedented cooperative effect for surface immobilized atoms in the activation of CO2. We have recently shown that early transition metal halides of yttrium, scandium and zirconium can also convert CO2 to cyclic organic carbonates when industrial waste flue gas was used as an impure source of CO2, an observation that could pave the way for a direct and highly integrated conversion of CO2 at the point of emission, thus circumventing the additional C-costs relative to purification, compression and transportation of CO2. These systems will be reviewed along with other recently discovered, readily available catalysts for the title reaction.

  • A single enzymatic approach for deracemization of secondary alcohols
    Speaker
    Musa M. Musa
    King Fahd University of Petroleum and Minerals
    Saudi Arabia
    Biography

    Musa M Musa received his PhD from the University of Georgia under the supervision of Prof. Robert S Phillips working in biotransformation in non-aqueous media. He then carried research with Prof. Mark D Distefano as a Postdoctoral Associate at University of Minnesota, where he focused on synthesis and evaluation of protein farnesyltransferase inhibitors and protein labeling. In 2009, he joined King Fahd University of Petroleum and Minerals (KFUPM) as Assistant Professor. He is currently an Associate Professor of Chemistry at KFUPM. His research interests include employing enzymes in organic synthesis. More specifically, he is interested in enzyme-catalyzed racemization, deracemization, and dynamic kinetic resolution of alcohols.

    Abstract

    Controlling enantioselectivity of alcohol dehydrogenase-catalyzed transformations using site-directed mutagenesis enabled their used in racemization of enantiopure secondary alcohols and in deracemization of racemic secondary alcohols. Controlled racemization of enantiopure secondary alcohols is achieved using various mutants of secondary alcohol dehydrogenase from Thermoanaerobacter ethanolicus (TeSADH) and in the presence of the reduced and oxidized forms of its cofactor nicotinamideadenine dinucleotide. We also developed a deracemization method for secondary alcohols that uses a single mutant of TeSADH in two steps. A single mutant of TeSADH enables the non-stereoselective oxidation of racemic alcohols to ketones, followed by a stereoselective reduction reaction for the resulted ketone. The key component in this deracemization approach is the ability to control the TeSADH-catalyzed transformations using protein engineering and medium engineering. Varying the amounts of acetone and 2-propanol co-substrates controls the stereoselectivities of the consecutive oxidation and reduction reactions, respectively. We used one enzyme to accomplish deracemization of secondary alcohols with up to >99% ee and >99% recovery in one pot and without the need to isolate the prochiral ketone intermediate. This deracemization approach is simple, efficient and environmentally benign.

  • Flow microreactors enables green chemistry approach for organolithium chemistry
    Speaker
    Aiichiro Nagaki
    Kyoto University
    Japan
    Biography

    Aiichiro Nagaki received his PhD in 2005 from Kyoto University under the supervision of Professor Jun-ichi Yoshida. He worked with Professor Hiroaki Suga, Tokyo University from 2005 as a Postdoctoral Fellow. In 2006, he became an Assistant Professor at Kyoto University. He was promoted to Junior Associate Professor in 2013. His current research interests are Organic Synthesis, Polymer Synthesis, and Microreactor Synthesis. He has received several awards which includes Takeda Pharmaceutical Co., Ltd. award in Synthetic Organic Chemistry, Japan (2012), Incentive Award in Synthetic Organic Chemistry, Japan (2012), and Young Innovator Award on Chemistry and Micro-Nano Systems (2013).

    Abstract

    Protecting-group-free synthesis has received significant recent research interest in the context of ideal synthesis and green sustainable chemistry. In general, organolithium species react with electrophilic functional groups very rapidly, and therefore such functional groups should be protected before an organolithium reaction, if they are not involved in the desired transformation. If organolithium chemistry could be free from such a limitation, its power would be greatly enhanced. A flow microreactor enables such protectinggroup- free organolithium reactions by choosing the appropriate residence time and the reaction temperature. Organolithium species bearing alkoxycarbonyl, nitro, and ketone carbonyl groups can be generated and reacted with various electrophiles using a flowmicroreactor system. In addition, asymmetric carbolithiation of conjugate enynes can be also achieved without the epimerization of a configurationally unstable chiral organolithium intermediate based on precise control of the residence time using a flow microreactor. In this presentation, we report that a flow microreactor system enables the generation of various unstable organolithium compounds.

  • Expanding the reaction space of aldolases using hydroxypyruvate as a nucleophilic substrate
    Speaker
    Virgil HELAINE
    Université Clermont Auvergne
    France
    Abstract

    Aldolases are key biocatalysts for stereoselective C–C bond formation allowing access to polyoxygenated chiral units through direct, e?cient, and sustainable synthetic processes. The aldol reaction involving unprotected hydroxypyruvate and an aldehyde o?ers access to valuable polyhydroxy-?-ketoacids. However, this undescribed aldolisation is highly challenging, especially regarding stereoselectivity. This reaction was explored using biocatalysts, a collection of aldolases selected from biodiversity. Several enzymes were found to produce the desired hexulosonic acids from hydroxypyruvate and D-glyceraldehyde with complementary stereoselectivities. One of them was selected for the proof of concept as a biocatalytic tool to prepare five (3S, 4S) aldol adducts through an eco-friendly process.

Day 2

KEYNOTE SPEAKERS
  • Towards carbon fibers from single component kraft lignin systems: An application of green chemistry with forest biomaterials

    North Carolina State University
    USA
    Biography

    Professor of Chemistry at North Carolina State University. He has also served as a Finland Distinguished Professor of Chemistry with the department of Chemstry of the University of Helsinki, Finland and Distinguished visiting Professor with the centre for Advanced Materials and the Department of Chemistry King Abdulaziz University, Jedah, Saudi Arabia. Professor Argyropoulos’s reserach team is internationally recognized for his leading contributions to Green Chemistry using cellulose and lignin wood-based polymers. His work focuses at promoting our understanding of the structure and reactivity of such polymers and the development of novel NMR and material science techniques for the structural elucidation and upgrading of these biopolymers. The efforts of his research group have been disseminated in excess of 200 scientific papers, numerous scientific conferences invited presentations and patents. Professor Argyropoulos is a fellow of the Royal Society of Chemistry, International Academy of Wood science and the Chemical Institude of Canada

    Abstract

    Carbon fibers represent a class of materials with enormous potential for many materials and other engineering applications for our society. There are projections that by 2020 the actual demand for carbon fibers will be such that the traditional polyacrylonitrile precursors used today will not be enough to address the projected demand. Consequently, it is imperative that new precursors based on the foundations of green chemistry need be developed. In this respect, technical lignins present us with formidable challenges but also with enormous opportunities and they are to be explored in detail during this presentation. In our earlier effort, we have embarked in describing and discussing the importance of propargylation chemistry on lignin so as to synthesize lignin macromonomers for thermal polymerization via Claisen rearrangement. We have also discussed that the molecular weight and glass transition temperatures of the thermally polymerized lignin improves significantly relative to the starting material. The intricate polymer structure created within lignin as a result of the benzopyran double bond thermal polymerization chemistry is offering a regular covalently linked framework from which, after carbonization, a regular carbon fiber material could. As such, thermally polymerized propargylated softwood lignin emerges as a prospective material for the synthesis of bio-based carbon fiber precursor. Various reactivity considerations that are to be discussed in the presentation were addressed by a series of experiments where initially Acetone Soluble Kraft Lignin (ASKL) was propargylated, thus occupying all readily accessible and highly reactive phenolic–OHs, followed by methylation of the remaining phenolic OH’s to limit phenoxy radical induced thermal polymerization. All the polymerization reactions were conducted by heating the samples at 180°C for three hours and the corresponding molecular weights and distributions were determined. As anticipated, the installation of the propargyl groups in more reactive positions, more readily prone to Claisen rearrangement and thermal polymerization events, offered much better developed molecular weights able to offer carbon fibers.

  • C-H free metal-organic green catalysts

    Seton Hall University
    USA
    Abstract

    The ultimate green catalyst for oxidations, molecular oxygen poses significant challenges when the catalyst contains C-H bonds. While enzymatic catalysis is a viable option in vivo since the biocatalysts are continuously regenerated, viable industrial processes using long-lasting, robust catalysts are preferred. Bioinspired catalysts that contain organic scaffolds related to hemes, but with all C-H bonds replaced by aromatic and aliphatic C-F bonds constitute a new class of materials that have been shown to perform chemical and photochemical aerobic oxidations and oxygenations of organic and biological substrates while resisting the reactive oxygen species they produce. This class of materials will be reviewed and its prospects in homogeneous and heterogeneous catalysis assessed.

  • Sustainable production means rational entropy management

    Technical University of Ilmenau
    Germany
    Biography

    Prof. Dr. J. Michael Köhler is the head of the Department of Physical Chemistry and Microreaction Technology at the Technical University of Ilmenau (Germany) since 2001. He studied Chemistry in Halle an der Saale as well as in Jena (PhD 1986), where he also get habilitated in General and Physical Chemistry in 1992. Between 1991 and 2001 he was the head of microsystem department and the department of biotechnical microsystems at the IPHT Jena. He taught at the Universities of Wuppertal and Jena between 1991 and 2000. M. Köhler has published inter alia more than 100 journal articles and edited books on microlithography, microsystem and microreaction technology, environmental technology and nanotechnology.

    Abstract

    The ways of production and consuming of energy are in the focus of public debate since decades. Energy is a key issue for industry, agriculture, traffic and everyday life. But, the reason behind the requirement of energy is the need of entropy production and entropy release. This fact concerns the management of energy as well as all use and conversion of materials. Not only all industrial processes include chemical and biotechnical synthesis, but also all other human activities are connected with the production and the transfer of entropy. The improvement of global entropy management is the most general challenge for realizing a sustainable working and living society. The urgent challenge for using renewable sources and of coupling agriculture with all other production chains is due to the fact that the area-related income of sun power and surface emission of infrared radiation is the global entropy export path of earth. Recent technical developments and challenges for future technology will be discussed in the frame of sustainable entropy export mechanisms.

Green Materials | Green Energy | Green Chemistry
Chair
Co-Chair
Speaker
  • Molecular simulations turn ‘green’: An integrated approach to accelerate the development of CO2 capture solvents
    Speaker
    Vassiliki-Alexandra Glezakou
    Pacific Northwest National Laboratory
    USA
    Abstract

    The ever-increasing carbon footprint from post-combustion large point sources has made greenhouse emissions one of the most urgent environmental problems commanding immediate attention. Solvent technologies for CO2 capture have become some of the most promising solutions, with aqueous amines being the industrial benchmark system. However, their high regeneration costs render them prohibitive for many of the flue gas applications. The U. S. Department of Energy has invested in the development of different classes of solvents in an effort to reduce parasitic loads and fully deploy these technologies by 2030. In the present talk, synchronized computational, experimental and engineering efforts directed towards the deliberate design of single-molecule, CO2- bidining organic liquids will be described. The PNNL developed CO2 capture technology are an attractive alternative to amine-based solvents, but they are plagued by high viscosities at high CO2 loadings. Using state-of-the-art computational methods and large models we describe the key structure parameters that allowed us to create reduced models for fast screening of potential candidates with low viscosity. Additionally, ab initio molecular dynamics and enhanced sampling methods made possible the computation of reaction free energetics for CO2 binding and proton transfer that control important acid/base equilibrium. Consequently, we were able to make tangible hypotheses towards synthetic targets with appreciable viscosity reductions especially at high CO2 loadings. These efforts have led to a fundamental understanding of the underlying factors controlling viscosity and the development of several classes of green solvents.

  • Photo-detachable adhesives composed of photo-depolymerizable poly(olefin sulfone)s
    Speaker
    Takeo Sasaki
    Tokyo University of Science
    Japan
    Abstract

    A novel photo detachable adhesive was prepared using a photo-depolymerizable cross-linked poly(olefin sulfone). Poly(olefin sulfone)s containing photobase generators (PBG) are known to exhibit photoinduced depolymerization. A poly (olefin sulfone) is a 1:1 alternating copolymer of an olefin monomer and sulfur dioxide and the protons on the carbons adjacent to the sulfonyl groups in these polymers are readily abstracted by bases. This abstraction results in a depolymerization chain reaction, and so poly(olefin sulfone)s incorporating a photobase-generating chromophore will undergo a photoinduced unzipping reaction. In this reaction, the primary chain of the poly(olefin sulfone) is depolymerized to regenerate the original olefin monomer together with sulfur dioxide. In the present study, a poly(olefin sulfone) composed of a volatile olefin monomer and a second olefin monomer possessing a cross linkable moiety was synthesized. If a mixture of this poly(olefin sulfone) and a crosslinking reagent is sandwiched between glass plates and cured, the plates will be glued together. Subsequently, irradiating the glued plates with UV light in conjunction with heating will separate the plates. In the present study, a poly(olefin sulfone) incorporating carboxylic acid moieties was synthesized and mixed with a polycarbodiimide crosslinker and a photobase generator. The mixture worked as a thermosetting adhesive and exhibited high adhesive strength on quartz plates, comparable to the bond strengths obtained with commercially-available epoxy adhesives. When the bonded quartz plates were exposed to UV light and subsequently heated to 100°C, the poly(olefin sulfone) depolymerized and the plates could be detached.

  • Vanillin: A renewable and versatile platform chemical for sustainable polymers
    Speaker
    Joseph F Stanzione III
    Rowan University
    USA
    Biography

    Joseph F Stanzione III received his MS in Chemical Engineering at Drexel University and his PhD at the University of Delaware under the direction of Professor Giuseppe Palmese and Professor Richard Wool, respectively. He then joined the Chemical Engineering Faculty of Rowan University in 2013. His research program focuses on the utilization of lignocellulosics as an alternative renewable chemicals feedstock; green chemistry and engineering for the development of next-generation lignocellulosic biorefineries; and bio-based polymers and composites for high-performance, biomedical, and energy applications. His work has resulted in one patent, four patent applications, and publications in journals such as Green Chemistry, ChemSusChem, Journal of Applied Polymer Science and ACS Sustainable Chemistry & Engineering. Additionally, he is a Co-recipient of US EPA’s Presidential Green Chemistry Challenge Award in 2013 and Co-editor of the Special Issue: Sustainable Polymers and Polymer Science: Dedicated to the Life and Work of Richard P Wool published by the Journal of Applied Polymer Science in 2016.

    Abstract

    Polymers derived from renewable resources are becoming considerably attractive as sustainable alternatives to their petroleumderived counterparts. A renewable resource that has gained considerable attention within the past few decades as a viable feedstock is lignin. Lignin is an aromatic biopolymer found in all woody biomass that could yield highly valuable aromatic platform chemicals, including vanillin, when strategically depolymerized. Vanillin, 4-hydroxy-3-methoxybenzaldehyde, is a unique phenolic aldehyde that has been cultivated for flavoring and fragrance for many centuries. However and more recently, with the growing demand to increase our cyclical economy and, thus, improving the planet’s overall well-being, vanillin is being utilized as a versatile platform chemical and monomer in the synthesis of a wide range of polymers. This presentation focuses on the history of vanillin in the development of sustainable polymers, including our research efforts in the development and characterization of vanillin-based thermoplastics and thermosets, including epoxies, vinyl esters, polyesters, and polycarbonates.

  • Hydrogen peroxide - Oxidation reactions under microwave irradiation
    Speaker
    Dariusz Bogdal
    Cracow University of Technology
    Poland
    Biography

    Dariusz Bogdal graduated from Cracow University of Technology (Krakow, Poland), obtained PhD diploma from Jagiellonian University (Krakow, Poland), and Doctor of Science (DSc) diploma from Warsaw University of Technology (Warsaw, Poland). He has more than 30 years of experience in Organic and Polymer Chemistry. He works extensively on the application of phase-transfer catalysis (PTC) and microwave irradiation to organic and polymer synthesis as well as polymer modification. His research interest also includes applying microwave-assisted reactions to polymer chemistry e.g., reactions on polymer matrices, preparation and modification of polymers, preparation and investigation of polymers for dental materials and optical devices. He worked as a Research-Fellow at Clemson University (Clemson, USA), Imperial College (London, UK), Napier University (Edinburgh, UK), and Karolinska Institute (Stockholm, Sweden). He is the author and co-author of books published in Elsevier and Blackwell-Wiley: “Microwave-assisted Organic Synthesis: One Hundred Reaction Procedures” (2005) and “Microwave-enhanced Polymer Chemistry and Technology” (2007), six book chapters and over 150 papers and review articles.

    Abstract

    In our work, we have successfully used hydrogen peroxide for oxidation of various organic compounds under microwave conditions. First, we considered oxidation of primary and secondary alcohols to corresponding carboxylic acids and ketons as well as N-oxidation reactions. The reactions were performed under phase-transfer catalysis conditions (PTC) in the presence of hydrogen peroxide or urea-hydrogen peroxide complex (UHP) /Na2WO4/tetrabutylamonium hydrogensulfate (TBAHS) or hexadecyltrimethyl hydrogensulfate (HDTMHS) as catalysts. Then the reaction systems were modified and hydrogen peroxide encapsulated in silica xerogels was applied as oxidizing agent. The xerogel is readily heated by microwave irradiation which could be used as both an oxidizing agent and as solid support for microwave assisted solvent-free oxidation. Finally, Zn-polyoxo-metalated were used as a catalyst; primary and secondary alcohols were oxidized to carboxylic acids and ketones, respectively, in short reaction times (ca. 15 min) under microwave-pressurized conditions. Then, we introduced bromine and chlorine atoms in the halo-oxidation reactions using H2O2/HX (HX-hydrohalide acid) system and microwave irradiation. This method, in which bromine and chlorine are generated in situ in the reaction of H2O2 and HX has several advantages over other bromination/chlorination protocols because whole amount of bromine/chlorine used for a reaction is consumed. Moreover, this system is much easier to handle since bromine transfer and storage facilities are not required. The oxidation of some arenes with the alkyl side groups by means of hydrogen peroxide to corresponding ketones was also investigated. Eventually, we have exploited the method employing the hydrogen peroxide as an oxidant and microwaves irradiation to obtain the epoxy-like compounds from simple alkenes as well as vegetable oils, which in turn we used for the preparation of polyols and polymers. In conclusion, hydrogen peroxide seems to be a very efficient oxidizing agent under the microwave conditions.

  • Supercritical fluid technology for greener processes
    Speaker
    Youn-Woo Lee
    Seoul National University
    South Korea
    Biography

    Youn-Woo Lee has completed his PhD in 2004 from Rensselaer Polytechnic Institute, USA. He is a Professor of Seoul National University, Korea. He has over 180 publications and 30 patents. He is a member of Korea National Academy of Engineering since 2014. He has been serving as an Organizer at the International Symposium of Supercritical Fluids 2015, and an Editorial Board Member of the Journal of Supercritical Fluids and Journal of CO2 Utilization as well as an Associate Editor of Green Materials journal.

    Abstract

    Supercritical fluid technology is one of the most promising green chemistry-based future technologies which can develop new, better and clean processes and products. In this presentation, recent R&D activities of supercritical fluid technology are briefly discussed with emphasis on the commercialization efforts. Discussion includes the large-scale (3,000 MT of sesame oil/yr) supercritical fluid extraction (SFE) processes of sesame oil in Korea in which sesame oil contains rich antioxidants like sesamin, sesaminol, and sesamolin. Supercritical CO2 extraction of residual solvent from Active Pharmaceutical Ingredient (Cefpodoxime Proxetil) preventing unwanted agglomeration of particles will be also discussed. A correlation between the agglomeration phenomenon and dimensionless entropy of fusion (?Sm/R) was shown on the basis of the hypothesis that CO2-induced melting point depression is one of the major factors resulting in agglomerates. Other examples of application of supercritical water to wastewater treatment, nano particle synthesis, and recycling of cross-linked polyethylene will be discussed.

  • Clean and sustainable liquid hydrogen storage materials
    Speaker
    Chang Won Yoon
    Korea Institute of Science and Technology
    South Korea
    Biography

    Chang Won Yoon is a Principal Research Scientist of the Fuel Cell Research Center at the Korea Institute of Science and Technology (KIST). He is also a Professor of the KHU-KIST Department of Converging Science and Technology at Kyung Hee University as well as a Professor of the KIST School (E&ET). He received his BS and MS in Chemistry at POSTECH in Korea and obtained the Doctoral degree (PhD, 2008) in Chemistry at the University of Pennsylvania (PENN) in USA. He further conducted research associated with Clean Energy in Chemistry at the University of California, Berkeley (2008-2010), and then joined the KIST in 2010. His research has been focusing on hydrogen production and storage particularly for fuel cell technologies as well as on catalysis for a number of chemical transformations related to energy conversion.

    Abstract

    To address the increasing energy and environmental issues, efficient and sustainable energy carriers alternative to carbon based fuels for the current power generation are being extensively investigated. One of the key issues for achieving the “hydrogen economy” is to develop reliable hydrogen storage/release systems that store/release large quantities of hydrogen in a safe and economically viable manner. In this context, liquid organic hydrogen carriers (LOHCs) such as carbazole and methylcyclohexane have attracted significant attention owing to their high reversibility as well as high volumetric hydrogen storage density. In addition to this, carbon dioxide is a potential hydrogen storage medium that can store hydrogen as a form of liquid formic acid (HCO2H, FA) with a significantly high volumetric H2 storage capacity of 53 g.L-1, much higher than compressed hydrogen gas. Despite the attractive hydrogen release properties of these materials, however, it is still needed to screen highly active and selective catalysts for the reversible hydrogen storage. In this contribution, Pd-based heterogeneous catalysts for FA dehydrogenation are introduced, and relevant H2-release properties are discussed. Furthermore, liquid organic materials are also proposed as potentially reversible hydrogen energy carriers, and their hydrogenation properties are discussed.

  • Challenges of green chemistry for value added products
    Speaker
    Ahindra Nag
    Indian Institute of Technology-
    India
    Biography

    Ahindra Nag is currently working as an Associate Professor in Department of Chemistry at Indian Institute of Technology Kharagpur, India. He completed his PhD from Jadavpur University, India. He has 30 years of teaching and research experience in chemistry. He is currently working on natural product isolation and characterization, Bioorganic and Medicinal chemistry. He has published his work in various journals( 80 ) and text books(8). He has guided ten Ph. D students and visited different International universities as a Visiting Professor.

    Abstract

    Fruit juices and lipases are important applications for the preparation of important value added products such as terpen esters, cosmetics and drug intermediates. Lipases ( E.C3.1.1.3) which are highly stereoselective catalysts are used for the resolution of DL menthol by esterification in organic solvent and synthesis of anti-inflammatory drugs in enantiomerically pure form. Glycerol is the by-product of soap industry and has little commercial value which has used for synthesis of 4-methoxy cinnamoyl glycerol (Ultraviolet protecting cream) by lipase in an optimum condition. Cocos nucifera L. and Borassus flabellifer L. juices act as bio catalytic system for the reduction of aromatic aldehydes to alcohols and selective decarboxylation of substituted cinnamic acid to styrene and substituted benzoic acid to polyphenolic compound. We have developed a new greener protocol for biotransformation of aromatic aldehydes and acids by fruit juices. The two juices act as solvent, reactant, catalyst and selective to substrate. The purification process of final products is very easy. In this method, protection and deprotection of the phenolic groups are avoided. The reaction system does not use hazardous chemicals. Cucumber juice (CSJ), which acts as a greener solvent system, performing a substrate-selective reaction. Additionally, the hydrolysis of the acetyl as well as the benzoyl group of aromatic compounds has been carried out to afford excellent yield by CSJ. Caffeic acid extracted from potato peel was used for synthesis of caffeic acid amide which has shown antioxidant, clinical drug resistance bacteria and antidiabetic properties.

  • Waste biomass derived aqueous extracts as alternative green solvent media for organic transformations
    Speaker
    Diganta Sarma
    Dibrugarh University
    India
    Biography

    Diganta Sarma is currently working as an Associate Professor in Department of Chemistry in Dibrugarh University, India. He completed his PhD from National Chemical Laboratory, Pune in 2007. He has been a Postdoctoral Research Fellow (2007-2009) at Kyoto Pharmaceutical University, Japan. Worked as Postdoctoral Research Associate, The University of Kansas, USA (2009-12). His research interests include Green Chemistry- Organic transformations (like Suzuki coupling, azide-alkyne cycloadditions, Aza-Michael reactions etc.) in water and ionic liquids, Synthetic Peptide Chemistry/Medicinal Chemistry, Protease inhibitors- Design, synthesis and biological evaluations.

    Abstract

    Conventionally most of the organic reactions are carried out in solution phase. The solution phase, that contains pure or mixed solvents, plays a pivotal role in determining the course of reactions and the amount of product formed. The conventional organic solvents used in organic reactions are known to be environment pollutants. In view of the environmental pollution caused by the use of these volatile organic solvents, there is a greater need to replace them by environmentally benign solvents. In this regard aqueous system, ionic liquids, super critical fluids, PEGs have emerged as important substitutes for several organic solvents. Herein, I am presenting how waste biomass derived aqueous extracts can be used as green alternative solvent media for various organic transformations such as Suzuki coupling, click reaction, peptide coupling, etc.

Poster Sessions
Chair
Speaker
  • Green synthesis of new chiral halogenated imines derived from Benzo[b]thiophene-2-carboxaldehyde
    Speaker
    Andrea Moreno-Ceballos
    Universidad Autónoma de Puebla
    Mexico
    Biography

    Andrea Moreno pursued her Postgraduate studies with Master’s in Organic Chemistry at the Faculty of Chemistry, Benemérita Universidad Autónoma de Puebla. She is passionate about the Green Chemistry, the development of environmentally improved routes, synthetic methods and processes to important products and the chemical aspects of renewable energy. Also, she is interested in the structural elucidation, green synthesis, X-ray crystallography, structure-NMR spectra relationship and mass spectrometry.

    Abstract

    Pollution must be taken seriously, because it reduced large reserves of water in the world, and acid rain deteriorated the health of forests, etc. Some chemicals were suspected of causing these problems. Consequently, there have been different proposals on the design, development and implementation of chemicals. These proposals benefit the economy; protect the population and the planet, thus achieving a reduction of waste, conserving energy. In addition, it is important to consider the life cycle of the reagents from the time they are obtained to the final disposal of the reagents. Solvent-free organic synthesis has expansive prospects as well as many advantages such as high efficiency, easy separation and purification and environmental acceptability. All these merits are in accord with the Green Chemistry’s requests of energy-saving, high efficiency and environmentally benign. Compounds containing an imine group are known to play an important role in living organisms, and some reports have established that the presence of imine or azomethine subunits in various natural, natural-derived, and non-natural compounds was critical to their biological activities. We are currently engaged in a program dedicated to the synthesis of small Schiff bases using a single-step solvent-free approach. We performed the preparation of three chiral imines 1, 2 and 3 derived from benzo[b]thiophene-2-carboxaldehyde and the optically active halogenated amines (S)-(-)-1-(4-fluorophenyl)ethylamine, (S)-(-)-1-(4-chlorophenyl)ethylamine and (S)-(-)-1- (4-bromophenyl)ethylamine, respectively in excellent yields.

  • Green synthesis of chiral imines and their Zn(ll) complexes
    Speaker
    Daniela Gutiérrez
    Universidad Autónoma de Puebla
    Mexico
    Biography

    Daniela Gutiérrez completed her Bachelor’s degree at the Universidad Autónoma de Puebla (México) in 2015. She is pursuing Master’s degree in Biochemistry and Molecular Biology. Her research interests are the synthesis of metallic complexes by using Green Chemistry methods and their application in the biology field.

    Abstract

    Statement of the Problem: Nowadays, reactions conducted in the absence of solvents under mild reaction conditions are becoming an important method in laboratories worldwide as an environment-friendly technique for the efficient syntheses of organic molecules. The main advantages of solvent-free organic synthesis are shorter reaction times, minimum waste and generally higher yields, operational simplicity as well as reduction of thermal degradative byproducts along with cleaner work-up. Methodology: The preparation of two chiral imines derived from 2-piridylcarboxaldehyde and the optically active primary aromatic amine (S)-(-)-1-(4-methylphenyl) ethylamine and (S)-(-)-1-(4-metoxyphenyl) ethylamine by solvent-free techniques. Findings: The ligands obtained were allowed to coordinate with Zn(II) also under solvent-free conditions affording complexes 1 and 2, respectively. The products were characterized by using spectroscopic techniques (FT-IR, NMR H and C, EI-MS) and the structure of the Zn(ll) complexes was fully confirmed by X-ray diffraction studies. The antimicrobial activity of the complexes (I)–(III) was evaluated against Gram positive (Staphylococcus aureus) and Gram negative (E. coli, Pseudomonas aeruginosa) bacteria, and yeast (Candida albicans). Conclusion & Significance: The complexes were found to possess noteworthy antimicrobial activity.

  • Green synthesis of a chiral imine and its Pd(ll) complex
    Speaker
    Gloria E Moreno
    Universidad Autónoma de Puebla
    Mexico
    Biography

    Gloria E Moreno obtained her PhD in Chemical Sciences at the Universidad Autónoma de Puebla. She has experience in research and teaching at the Faculty of Chemistry Engineering and she is one of the members of the Laboratorio de Síntesis de Complejos. Her research interests include the synthesis and characterization of organometallic compounds by using Green Chemistry methods.

    Abstract

    Statement of the Problem: Schiff base compounds are widely studied and used, attracting much attention in both organic synthesis and metal ion complexation. Recently we have focused our attention on the synthesis of chiral Schiff bases by using green techniques. Methodology: We synthesized a new chiral imine using the solvent-free approach. The reaction occurs under mild conditions and requires easier workup procedures and simpler equipment, compared to similar reactions carried-out in solution. On the other hand, the ever increasing interest in Pd(II) complexes stems from their useful applications in many areas such as materials science, determination of enantiomeric excesses and absolute configuration of chiral compounds, asymmetric synthesis, etc. Findings: The reaction of the enantiopure imine ligand leads to the formation of a new palladium complex, and both the compounds have been characterized by IR, 1H and 13C NMR, MS-FAB+. The crystal and molecular structure for the palladium complex derived from imine obtained with biphenyl-2-carboxaldehyde and S-(-)-4-methoxymethylbencylamine, has been confirmed by X-ray analysis. Further discussion on these complexes will be provided.

  • Solvent-free mechanochemical obtention of phenol-N-aminal aggregates
    Speaker
    John Sadat-Bernal
    Universidad Militar Nueva Granada
    Colombia
    Biography

    John Sadat-Bernal studied Chemistry at the Universidad Nacional de Colombia. He received his PhD degree in Chemistry from Universidad Nacional de Colombia where he worked on his thesis entitled, ‘synthesis of N-containing heterocyclic compounds’. He joined the Universidad Militar Nueva Granada (UMNG) as a Professor and Researcher 3 years ago and his research interest focuses mainly on heterocyclic synthesis and analytical methods.

    Abstract

    Phenols and cyclic aminals are known to form a variety of supramolecular aggregates via O—H???N hydrogen bonds, and complexes of phenols with various nitrogen bases are model systems often applied in the study of the nature of the hydrogen bond. Previously, hydrogen bonding between the hydroxyl group of acidic groups such as phenols and heterocyclic nitrogen atoms has proved to be a useful and powerful organizing force for the formation of supramolecules. The phenol–N complex has also served as a good model for the investigation of proton and electron-transfer processes occurring in living matter, it being generally assumed that this interaction consists solely of the attraction between the lone pair of the amine N atom and the phenolic hydroxy proton. In addition to the typical features of intermolecular hydrogen bonding, these systems have an extra advantage over many other complexes because they play an important role in probing the anomeric effect in N—C—N (aminal) systems even though the anomeric effect is well recognized as an important factor in defining the predominant conformational state of many cyclic heteroatom containing compounds. Noteworthy, usually cyclic aminals react with phenols when the reaction is attempted under standard conditions in various organic solvents affording symmetrical imidazolidines in good yields. We discovered that, under mechanochemical conditions, grinding the reagents in a mortar and pestle, the reaction of some cage type aminals with phenols affords phenol–aminal aggregates in excellent yields. Furthermore, no side products form in the reaction mixture. Usually, washing the homogeneous mixture with an appropriate solvent and filtration of the solid gives the pure adduct. This mechanochemical process provides a convenient and efficient method to produce these adducts, and is also environmentally friendly.

  • Solvent-free procedure for the synthesis of tetrahydrosalen (H4salen) ligands by a solid state reaction using sodium borohydride as a reducing agent
    Speaker
    Jaime Ríos-Motta
    EAFIT’s University
    Colombia
    Biography

    Jaime Ríos-Motta has his expertise in synthesis of heterocyclic compounds based on the use of aminal cage as preformed Mannich reagents. He has completed his PhD from the National University of Colombia. He belongs to the group of research in synthesis of heterocycles as Senior Investigator. He has published more than 80 papers in reputed journals and has been serving as an Editorial Board Member of reputed journals.

    Abstract

    N,N´-bis(2-hydroxybenzyl) and N,N´-dibenzyl derivatives of 1,2, and 1,3-diamines, also known as tetrahydrosalen or salan ligands, are intimately involved with a number of metal coordination complexes, which include those elements located in groups 12, 13 and 14. These tetradentate ligands associated with metal centers display cis-octahedral coordination geometry, which can form two possible diastereomers (cis fac-mer and cis fac-fac), forming octahedral chiral complexes of the type [{ONNO}MX2]. Different methods have been developed for the preparation of this class of compounds but the reduction of the corresponding diimines offers the possibility to produce a wide range of such diamines. A series of N,N´-dibenzyl or N,N´-(2-hydroxybenzyl)- ethane-1,2-diamine, -propane-1,3-diamine and -1,3-diamino-2-propanol (TetrahydroSalen ligands) were prepared in good yield by an efficient and highly eco-friendly protocol. The respective di-Schiff bases (Salen) precursors were prepared in good yield by using water as a solvent without the need for catalysis or the azeotropic removal of water. The reduction with sodium borohydride of the respective di-Schiff bases under catalyst-free and solvent-free conditions occurs readily and with good yields, ranging from 48% to 95%. The direct solid-solid reductive aminations were carried out by grinding the corresponding di-Schiff base and sodium borohydride with an agate mortar and pestle at room temperature. Then, the reactions were conducted by heating at 60-90°C on a hot plate and were complete within 15 minutes, producing tetrahydro-di-Schiff bases compounds. Compared to the previously reported methodologies, our protocol offers considerable benefits, including that it has a simple procedure, is environmentally benign, produces high yields, does not require the use of a catalyst, and allows for the product to be synthesized on the gram scale.

  • Green synthetic approaches for medium ring-sized and linear benzylimidazolidine oligomers
    Speaker
    Augusto Rivera
    EAFIT’s University
    Colombia
    Biography

    Augusto Rivera received his Bachelor’s in Chemistry and Doctorate degree from Universidad Nacional de Colombia in 1976 and Universidad de La Laguna at Tenerife, Spain in 1979 respectively. He returned (1980) to the Universidad Nacional de Colombia where he became Full Professor. He has over 150 publications that have been cited over 800 times, and his publication H-index is 16. His research interests are in the area of N-containing medium-ring compounds, design of novel aminals, new synthetic methodologies and solid-state organic reactions.

    Abstract

    Aminophenol-type Mannich bases are of great chemical and industrial interest due to their growing applicability for the production of new polymeric materials with excellent mechanical, thermal, photophysical, and catalytic properties. The reaction between the phenolic Mannich bases 1,3-bis[2’-hydroxybenzyl]imidazolidines and the macrocyclic aminal 1,3,6,8-tetraazatricyclo[4.4.1.13,8] dodecane (TATD) - a preformed Mannich base - was studied under solvent-free conditions. The solvent-free Mannich-type aromatic reaction between the macrocyclic aminal TATD and Mannich phenolic bases of the type 1,3-bis[2’-hydroxybenzyl]imidazolidine is a useful synthetic strategy for the high-efficiency production of medium ring-sized heterocalixarene-type compounds and linear oligomers which contains at least three benzylimidazolidine units. In addition, it was possible to get access to oligomers which could not be prepared via several different standard procedures. The 1,3-bis[2’-hydroxybenzyl]imidazolidines used were prepared by a solvent-free Mannich-type condensation between the macrocyclic aminal TATD and the appropriate phenol. Besides, macrocyclic aminal TATD was prepared and isolated in pure water in high yield and purity. The preparation of TATD in water becomes important due to environmental consideration. This is a simple method to prepare cyclic and linear oligomers in good yield and high purity under solvent-free conditions without the presence of any organic solvent or catalyst.

  • Prediction of cellulose dissolution in ionic liquids using molecular descriptors based QSAR model
    Speaker
    Chan Kyung Kim
    Inha University
    South Korea
    Biography

    Chan Kyung Kim is a Professor and Chairman of the Department of Chemistry, Inha University located in Incheon, Korea. He is an active member of Brain Korea 21 Plus Project supported by the Ministry of Education, Science and Technology. His research is concentrated on the development and application of QSAR/QSPR method including MSEP for high energy density materials. He is also interested in the theoretical organic and inorganic chemistries to understand the structures and reactivity of chemical systems. Recently, his research is oriented on the design of carbon dioxide removal in the presence of N-methylaniline and silyl halides and conversion of carbon dioxide to some useful materials in the zeolite catalysts.

    Abstract

    Statement of the Problem: The dissolution of lignocellulose by ionic liquids attracted much attention during the last decade. However, the experimental screening and selection of a large number of potential ionic liquids for biomass processing are challenging tasks. Methodology & Theoretical Orientation: In this work, the prediction of cellulose dissolution in ionic liquids (ILs) was evaluated by quantitative structure-activity relationship (QSAR) model using the molecular descriptors of ionic liquid’s constitutional ions derived from Comprehensive Descriptors for Structural and Statistical Analysis (CODESSA) program. All the structures of individual cations and anions of ILs were optimized without constraint using B3LYP/6-31G(d,p) level in Gaussian 03 package and verified as minima by frequency calculations. The CODESSA package calculates various descriptors such as constitutional, topological, geometrical, electrostatic, quantum-chemical, and thermodynamic from the three-dimensional structures of molecules. 438 molecular descriptors were calculated for 80 different ILS in the data set. Findings: Two QSAR correlation models for cellulose solubility in ILs with respect to mass and molar percentages were developed. Both models include 13 molecular descriptors and were reliable as indicated by the considerably high R2 value for both training and test sets. Models based on cellulose molar solubility exhibited better correlation (R2 of 0.92 vs. 0.88) and predictability (R2 of 0.89 vs. 0.83) than those based on mass percentage solubility. Conclusion & Significance: These results indicated that the molecular descriptors of ILs could be effectively used to develop QSAR models for facilitating the in silico and a prior screening/selection of ILs customized for specific applications.

  • Methane steam reforming through shell-and-tube heat exchanging reformer to improve heat transfer rate from low temperature heat source
    Speaker
    Sangseok Yu
    Chungnam National University
    South Korea
    Biography

    Sangseok Yu is a Professor of Mechanical Engineering at CNU who is an expert in modeling and simulation of energy system. He majored in transient heat and mass transfer and dynamic modeling of automotive fuel cell system at University of Michigan Ann Arbor. In particular, he has special interests in control and fault detection of automotive fuel cell system. Recently, he extended his research scope to modeling and simulation of various energy systems.

    Abstract

    In the renewable energy technology, methane steam reforming is used to supply hydrogen rich fuel to fuel cell system that has high temperature heat source with conventional burner. The methane steam reforming technology is also used as secondary reformer to improve system efficiency with utilization of wasted thermal energy. When the heat source temperature is low, the heat transfer mechanism is very crucial to improve reforming reaction rate. At very low temperature such as 500oC, it is known that the methane conversion rate of steam reforming reaction is severely deviated from equilibrium. In this study, the heat exchanger design is investigated to improve methane conversion rate of low temperature secondary steam reformer. Right after the numerical model is validated with experimental data, the analysis is mainly concentrated on the various heat transfer parameters so that the principle parameter could be determined. Results show that since the temperature distribution in longitudinal and radial direction is sometimes severely non-uniform under practical environmental and operating conditions, the methane conversion rate is strongly depended on the non-uniformity. Result also shows that large steam to carbon ratio of practical steam reformer sacrifices thermal duties so that methane conversion rate has trade-off over increasing steam to carbon ratio.

  • Two-dimensional inorganic electride promoted electron transfer efficiency in transfer hydrogen reactions of carbon-carbon multiple bonds
    Speaker
    Ye Ji Kim
    Sungkyunkwan University
    South Korea
    Biography

    Ye Ji Kim got her Bachelor’s degree in Chemistry from Kyungsung University in 2013. Since 2013, she joined prof. Sung Wng Kim’s group of Sungkyunkwan University as Post-Graduate student. Her research interest includes chemical application of inorganic electride, single electron transfer reaction, hydrogen evolution reaction and nano-particle fabrication.

    Abstract

    The development of simple and efficient chemical transformation routes with maximal yields has been a continuously pursued challenge in synthetic chemistry. Such protocols can provide important benefits in the field of organic synthesis such as saving starting materials, reagents, and energy, thereby lowering production costs and environmental impacts. Among fundamental reactions in synthetic organic chemistry, the reduction of organic functional groups with carbon–carbon (C–C) multiple bonds is one of the most universally applied and crucial synthetic processes in academic and industrial circles. For efficient electron transfer hydrogenation, it is essential to use an agent with a high reduction potential to facilitate the electron transfer. In this regard, many types of materials, such as simple metals (Mg and Yb), stabilized alkali metal systems (Na in silica-gel and in ammonia liquid), and lanthanide iodides (SmI2 and TmI2), have been employed in electron transfer hydrogenation. Despite their effectiveness in the reported transfer hydrogenations, there are several drawbacks in the methodology. Major disadvantages include the toxicity, the cost of agents and the rigorous reaction conditions. Furthermore, the separation of products from the resultants is laborious and inefficient, yielding pollutants. Of all these drawbacks, the low electron transfer efficiency of the reaction is the most critical issue to be addressed for efficient transfer hydrogenation. In this presentation, we will introduce simple and highly efficient transfer hydrogenation of alkynes and alkenes by using a two-dimensional electride, dicalcium nitride ([Ca2N]+•e?), as an electron transfer agent. Excellent yields in the transformation are attributed to the remarkable electron transfer efficiency in the electride-mediated reactions. We found that the choice of solvent was crucial for enhancing the electron transfer efficiency, and a maximum efficiency of 80% was achieved by using a DMF mixed isopropanol co-solvent system. This is the highest value reported to date among single electron transfer agents in the reduction of C–C multiple bonds.

  • Enhanced GABA production via protein complex of Pyrococcus horikoshii glutamate decarboxylase and Escherichia coli GABA transporter
    Speaker
    Soon Ho Hong
    University of Ulsan
    South Korea
    Biography

    Soong Ho Hong graduated from School of Chemical Engineering & Bioengineering, University of Ulsan, Korea. His major research field involves Metabolic Engineering, In Silico Simulation of Microorganisms, Systems Biology, Synthetic Biology, and Bioengineering.

    Abstract

    Gamma-aminobutyric acid (GABA) is a precursor to pyrrolidone, a monomer used for the production of a biodegradable polymer known as nylon-4. GABA is also widely used in the medical industry to treat conditions such as high blood pressure, anxiety and depression. Generally, GABA is produced from glutamate by the enzyme glutamate decarboxylase (GadB). In this study, a synthetic scaffold complex was introduced between Pyrococcus horikoshii GadB and the GABA antiporter (GadC) from E. coli. P. horikoshii GadB was attached to the N-terminus, C-terminus and middle of E. coli GadC via scaffolding. Among the three scaffold complexes evaluated, the N-terminus scaffold model produced 5.93 g/L of GABA from 10 g/L monosodium glutamate (MSG). When the gabT mutant E. coli XBT strain was used, the highest GABA concentration of 5.96 g/L was obtained, which is 97.8% of GABA yield. In addition to GABA concentration, GABA productivity was increased 3.5 fold via the synthetic scaffold complex.

  • Ammonia borane as hydrogen storage material: Study of some of its clusters
    Speaker
    Cacier Zilahy Hadad
    University of Antioquia
    Colombia
    Biography

    Cacier Z Hadad has completed his PhD at the University of Chile. He is the Co-Head of the Theoretical Chemical Physics Group of the University of Antioquia, Colombia. He is author of many relevant papers about theoretical aspects and models of diverse physicochemical phenomena.

    Abstract

    Hydrogen is one of the most promising alternatives as clean fuel. This is because the energy, per unit of fuel mass, released in its reaction with oxygen is higher than that of gasoline, and the chemical product of this combustion is only water. Nevertheless, hydrogen storage methods are still inefficient and expensive. Ammonia borane (AB = H3N-BH3) has emerged as one of the most encouraging hydrogen storage materials due to its relative stability, its versatility, and its capacity of storing high hydrogen densities. However, a series of scientific and technological problems that prevent its use for this purpose remain to be solved. To name one, the methods known today for extracting hydrogen from AB are still insufficient: there is not yet one in which a total hydrogen release from AB is guaranteed at relatively low temperatures. To better address these and others current problems, it would be crucial to know, very precisely, what the structural nature and the intra- and intermolecular interactions involved in AB are. In this work, from a quantum-mechanics point of view, we contribute to this task, revealing important aspects not found by previous studies. A search for stable configurations was performed on the trimers, (AB)3, tetramers, (AB)4 and pentamers, (AB)5, of ammonia borane at high levels of theory. Very rich and complex potential energy surfaces, PESs, are obtained. Cyclic or compact configurations are energetically preferred. Four different types of non-conventional interactions are identified: heteropolar N-H... H-B dihydrogen bonds (the main stabilizing factor), homopolar B-H... H-B dihydrogen bonds, and B...H-N and N...HB hydrogen bonds. Donor-acceptor charge transfer in heteropolar dihydrogen bonds is the most stabilizing interaction, taking place between a ? bonding orbital and a* ? anti-bonding one. Despite H...H being a priori considered as weak interaction, stabilization energies in ammonia borane clusters are comparable to the interactions responsible for the stabilization of water clusters at the same level to theory.

  • Accelerated solvent extraction as an alternative tool for extraction of chlorogenic acid from Cynara scolymus leaves
    Speaker
    Ibrahim Ahmed Saleh
    National Research Centre
    Egypt
    Biography

    Ibrahim Saleh, Researcher, Phytochemistry Department, National Research Centre, Egypt, has awarded his Ph.D degree from faculty of pharmacy, Cairo University, Egypt. He has awarded international scholarship as an academic visitor, Coventry University, Coventry, United Kingdom. During the last ten years, he has been publishing in the area of natural products chemistry, his program has come to focus on innovation and development of medicinal and aromatic plant processing.

    Abstract

    Finding new techniques to enhance the extraction efficiency of bioactive compounds from medicinal and aromatic plants (MAPs) is important due to their potential health benefits. The objective of this study was to evaluate extractability of chlorogenic acid form Cynara scolymus leaves using solvents under high pressure and temperature. Accelerated Solvent Extraction (ASE) is considered as a greener method for MAPs extraction when compared to conventional extraction technique. ASE is an extraction technique which combines both elevated pressure and temperature. Methodology & Theoretical Orientation: Chlorogenic acid form Cynara scolymus leaves was extracted using ASE applying one and three static cycles of extraction at 40, 80, and 120 °C. Static periods of extraction were carried out for 5, 10 and 15 min using 80% methanol/water (v/v) as the extraction solvent. The extracted solutions were characterized for chlorogenic acid content by HPLC. Findings: The highest chlorogenic acid yields were obtained after 10 min (67.4 and 66.8 mg/5g DM) using one and three static cycles of extraction; respectively. Accelerated Solvent Extraction (ASE) has proven to be an effective extraction technique. However its recommended not to exceed the extraction time over 10 min at elevated temperatures, due to the possible degradation of chlorogenic acid for prolonged extraction at extreme conditions.

  • Manganese-salan complex immobilized on reduced graphene oxide: A recyclable catalyst for aerobic enantioselective epoxidation of olefins
    Speaker
    Hassan Hosseini-Monfared
    University of Zanjan
    Iran
    Biography

    Hassan Hosseini-Monfared has research focus on applied homogeneous and nanostructured heterogeneous catalysis, the development and application of new, environmentally benign catalysts, asymmetric catalysis and synthetic methods.

    Abstract

    Chiral compounds are commonly required in pharma, agrochemical and fine chemical sectors. More importantly, there is a strong demand for the pure enantiomers in pharmaceutical industry. Various desirable chiral products can be synthesized using chiral epoxides by stereospecific ring-opening reactions. Catalytic asymmetric oxidation of olefins by various oxygen donors can be used to prepare chiral epoxides. From the point of view of green and sustainable chemistry, molecular oxygen is an ideal oxidant with regard to its natural, inexpensive and environmentally friendly characters. Salen (bis(salicylidene)ethylenediamine) and salan (N,N'- bis(o-hydroxybenzyl)-1,2-diaminocyclohexane) ligands are an important class of tetradentate dianionic ligands in the chemistry of transition metals. Chiral salans have been known as effective ligands for asymmetric synthesis because of their more flexibility which let to be modified easily with respect to salen ligands. Chiral salan compounds have been used as a fluorescent sensor for CuCl and salan-Cu complex for the selective recognition and discrimination of protected ?-amino acids. In this study, a chiral Mn(III) complex of the reduced salen ligand (salen = (1R,2R)-(-)-(N,N'-bis(5-chloromethylsalicylidene)cyclohexane-diamine) was synthesized and covalently grafted onto carbon coated magnetic Fe3O4 nanoparticles decorated reduced graphene oxide sheets (GFC). The catalyst was characterized by FT-IR, UV/Vis, XRD, SEM and vibrating sample magnetometer (VSM) techniques. The synthesized GFC-[Mn(salan)Cl] was employed in the aerobic enantioselective epoxidation of non-functionalized olefins. The effects of reaction variables such as temperature, time and solvent on the catalytic performance were systematically investigated. The catalyst was found to be highly active and enantioselective for epoxidation of styrene (Scheme 1), alpha-methyl styrene and trans-stilbene. Catalyst GFC-[Mn(salan)Cl] is stable and could be recycled at least five times without loss of its catalytic activity.

  • Comparison of net GHG emissions between separated system and crop-swine integrated system in the North China plain
    Speaker
    Zhejin Li
    China Agricultural University
    China
    Biography

    Zhejin Li is a student of China Agricultural University pursuing Doctoral degree. Her major is Agricultural Wastes Managements and Ecological Agriculture.

    Abstract

    Agriculture causes 10–12% of global GHG (CO2, CH4 and N2O) emissions. GHG emissions from Chinese agriculture have been estimated at 819.97 Mt CO2-equivalence (CO2-eq); among them, total annual GHG emissions from the production of grain and livestock have been estimated at 374 Mt CO2-eq and 445 Mt CO2-eq, respectively. Because of food demand, food production has intensified, resulting in the separation of crop production and livestock rearing. This separation has increased the application of outside resources and agricultural waste, aggravating GHG emissions and other ecological and environmental problems. This research attempts to mitigate GHG emissions by improving soil carbon sequestration of crop production and decreasing emissions from swine-rearing waste. Net GHG emissions (NGHGE) between an integrated system and a separated system are compared in this study from a life-cycle perspective. The causes of different GHG emissions between these two systems are analyzed and mitigation strategies are proposed. The results show that the NGHGE of crop-swine integrated and separated systems were 24917.95 kg CO2-eq/ha/yr and 27732.70 kg CO2-eq/ha/yr, respectively, for 215 head of pigs. The integrated system reduced GHG by 1381.33 kg CO2-eq/yr mainly due to the recycling and reuse of pig manure in croplands. Meanwhile, the integrated system increased soil carbon storage by 35.92% compared with the separated system, although it increased soil CH4 and N2O emissions. In conclusion, these results indicate that through a series of methods, such as recycling agricultural waste, the integrated system can reduce net GHG emissions by 10.15% compared with separated systems. Although much work remains to adopt the integrated system to reduce GHG emissions, the crop-swine integrated system should be given priority to mitigate anthropogenic net GHG emissions.

  • Dehydration of sugars from grape juice waste by microwave radiation
    Speaker
    Almudena Lorente
    University of Castilla-La Mancha
    Spain
    Biography

    Almudena Lorente obtained her degree in Chemistry (June 2014) at the University of Castilla La Mancha. Her first contact with Organic Chemistry was in her fifth year of degree in the group of Organic Green Chemistry and Food and Agro-Industrial Waste Chemistry. Then in November 2014, she started her PhD in the same group. During these years, she has continued her training in the field of Waste and Bioeconomy. She obtained her certificate in Bioeconomy studies in September 2016.

    Abstract

    In Spain, grape industry is the widest, and therefore, the one that generates the larger amount of by-products. The composition depends on the grape variety used, although that is mainly water (70-80%), and sugars (20%), specifically glucose, fructose and sucrose, being the rest organic acids such as tartaric, malic or citric. The main reasons for converting those residues are their low pH and their high BDO (80-89 g/L for white juice, 78-99 g/L for red juice) and high QDO (115-117 g/L for both varieties). We propose the development of a methodology for the dehydration of the sugars in the grape juice waste water, to obtain 5-hydroxymethylfurfural (HMF) and levulic acid (LA) as main products. Those chemicals have a great interest as platform compounds, with several applications in the biofuel industry among others. Preliminary studies were carried out on the pure monosaccharides (glucose and fructose). The solution (known concentration) was introduced in a microwave vessel and sealed with a cap for under pressure work. The required heterogeneous catalyst was added (see table 1) and the reaction set at 200°C for 2-15 minutes depending on the sugar. The reaction crude was dissolved in D2O to be analysed and quantified by NMR. The same experiments were carried out, under the optimal conditions, on several non-edible grape juices, which were provided as a similar residue to waste water sidestreams. The preliminary studies with fructose and glucose showed that the montmorillonites as catalysts offer the best results. The reactions carried out with grape juice using montmorillonite KSF were successful in obtaining HMF and LA with a fast dehydration of fructose and a moderate dehydration of glucose. Also, the catalyst is potentially recyclable which was assessed by several experiments, showing also a moderate conversion. In this work, we have been able to obtain HMF and LA as biofuel precursors using an alternative energy source and a potentially recyclable catalyst. Although it shows less efficiency on reusing, it is clean and cheap, and allows us to simply separate it from the reaction media.

  • Structure and electrochemical properties of recycled active electrodes from spent lead acid battery and modified with different manganese dioxide contents
    Speaker
    Simona Rada
    Technical University of Cluj-Napoca
    Romania
    Biography

    Simona Rada is currently working as a Professor in the Department of Physics and Chemistry, Faculty of Material Engineering and Environment, Technical University of Cluj-Napoca, Romania. She completed her PhD in Chemistry with Inorganic Chemistry specialization. She has been part of many international conferences and published many scientific papers in many reputed journals.

    Abstract

    Manganese (IV) oxide was widely studied due to their technological importance for catalytic and electrochemical applications. The addition of MnO2 to the active electrodes structure of the disassembled car battery is expected to give new possibilities to extend the properties of these materials by modifying their structure. The structural role of manganese ions in many oxide glasses is unique. These ions exist in different valence states with different coordination numbers simultaneously in the host network, which is mainly responsible for significant changes in the structure and physical properties. MnO2 incorporated into active electrodes structure of the disassembled car batteries were prepared by classical melt-quenching method. The effect of MnO2 concentration on the obtained samples was investigated by X-ray diffraction (XRD) analysis, Fourier Transform InfraRed (FTIR) spectroscopy and measurements of Cyclic Voltammetry (CV). The analysis of IR data shows that at lower MnO2 contents, MnO2 breaks Pb-O-Pb bonds and produces to the formation of non-bridging oxygen atoms together with the defects known as dangling bonds. At higher MnO2 content, MnO2 plays a network former role, joins the vitrocreamic network as [MnO4] and [MnO6] structural units. The main reactions for the cathode and anode respectively can be expressed as: Cathode: HPbO2 - + H2O + 2e- ? Pb + 3 HO- EC=-0.54V Anode: Pb + 2 HO- ? PbO + H2O + 2e- EA=+0.58V Overall cell reaction: HPbO2 - ? PbO + HO- E=EC-EA=-0.54-0.58=-1.12V In this case, the potential difference, E between cathodic and anodic reaction is -1.12V.

  • Survey analysis of dental ceramic materials based on yttria oxide-stabilized zirconia
    Speaker
    Marius Rada
    National Institute for R&D of Isotopic and Molecular Technologies
    Romania
    Biography

    Marius Rada is Senior Research Scientist II at The National Institute for Research and Development of Isotopic and Molecular Technologies, Cluj-Napoca, Romania. As a Scientist Researcher or Principal Investigator, he led a number of national research grants, in the areas of material science with applications in the recycling of the car batteries and dental ceramics. He has published over 45 papers in ISI journals and has published 1 book and 2 chapters of the book.

    Abstract

    Statement of the Problem: The special properties of ceramic materials are becoming increasingly important for many applications in electrical, chemical and mechanical engineering. Oxide ceramic materials are used in a wide range of industries, including mining, aerospace, electronics, medicine, etc. These materials show a high strength and hardness, as well as a thermal, cracking, and corrosion resistance. Ceramics are considered as popular engineering materials due to their excellent mechanical properties: good fracture toughness, high strength, elastic modulus, and wear resistance, used in many engineering applications such as engine elements, valves, cutting tools, and moulds. In recent years, YSZ with its superior combination of mechanical properties and chemical inertness has been employed in the biomedical field as an implant material. The main aim of the present study is to investigate how the yttrium (III) oxide can influence the formation of monoclinic zirconia crystalline phase in ceramics. The ceramic systems in the xY2O3 (100-x)ZrO2 compositions where x= 2,3 and 5% Y2O3 were synthetized by sintering method in alumina crucibles at 14000C for two hours. For this work, we compared the samples obtained in our laboratory with those used in the medical market, called sample M, T and C. For all samples were characterized by investigations of XRD, and XAS analysis. The EXAFS analysis of absorption coefficient was processed by computer codes CDXAS, XAS and IFEFFIT.

  • Low-temperature hydrogenation of carbon dioxide to methanol using a homogeneous cobalt catalyst
    Speaker
    Rauf Razzaq
    University of Rostock
    Germany
    Biography

    Rauf Razzaq has his expertise in both Homogeneous and Heterogeneous Catalysis: material design, synthesis and application. Recently, Mr. Razzaq is busy with designing novel catalytic systems for efficient CO2 valorization. He has also good experience in chemical reaction engineering and reactor design. During his research he has not only studied the effect of various metals in catalyzing the CO2 hydrogenation reaction but has done some extensive work on understanding the influence of the type of catalytic reactor during such reactions. This approach carries a significant importance in applied catalysis especially in scale-up from lab to pilot and then industrial scale.

    Abstract

    Methanol attracts significant attention as a hydrogen storage material (12.5 wt % H2), drop-in liquid fuel as well as an energy carrier in methanol fuel cells. Its industrial utility combined with these promising energy applications has led to multiple proposals of a so-called “Methanol Economy” in which methanol would be the central carbon and energy feedstock in a sustainable energy economy. Currently, methanol is produced from fossil fuels, especially natural gas, via syngas (mixture of CO, CO2 and H2). For a more sustainable production of methanol direct reduction of CO2 is a highly interesting option if green hydrogen or renewable energy is used. In such a way it would be possible to recycle atmospheric carbon as part of a carbon capture and recycling strategy (CCR), avoiding additional CO2 emissions and replacing non-sustainable carbon sources. So far, hydrogenation of CO2 to methanol has been studied intensively using heterogeneous catalysts. Hence, a large library of active catalysts has been developed but most require high temperatures (>200 °C) to operate. Herein, we describe the first homogeneous non-noble metal catalyst for the hydrogenation of CO2 to methanol. The in-situ formed catalyst based on Co(acac)3/Triphos/HNTf2 allows to perform the reaction at 100 °C without a decrease in activity. Kinetic, in-situ NMR and MS studies suggest an inner-sphere mechanism catalyzed by a cationic cobalt/Triphos complex, which is formed after slow removal of the acac ligands. We hope that this report will inspire the development of novel, homogeneous non-noble metal based catalysts for a cost and energy efficient hydrogenation of CO2 to methanol.

  • Metal-free aerobic oxidative coupling of thiols for synthesis of disulfides and sulfenamides
    Speaker
    Liting Yang
    Zhengzhou University
    China
    Biography

    Liting Yang is pursuing her PHD at College of Chemistry and Molecular Engineering, Zhengzhou University, China. She obtained Bachelor’s degree of Chemistry at 2011 from Zhengzhou University. Starting from 2011 to present, she has been working on scientific research in the group of Professor Guanyu Yang. The mian research fields contain the synthesis and application of radical catalysis and aerobic oxidative green-catalyzed construction of S-N/S-S bonds. Some of the research achievements have been published on the international journals, such as Green Chemistry, Asian Journal of Organic Chemistry and so on.

    Abstract

    Statement of the Problem: Catalytic synthesis of organic sulfenamides and disulfides has great significance and value in synthetic chemistry and bioscience. Despite the prominent applications of sulfenamides, there are only a few reports about their preparation. In this contribution, we reported an oxidative coupling of 2-mercaptobenzothiazole leading to 2,2-disbenzothiazoledisulfide in up to 94 % yield. Findings: The reactions used TEMPO as the catalyst and underwent a radical mediated process. Inspired by that finding, we explored the radical reaction between thiols and amines. Fortunately, we found a TEMPO-catalyzed aerobic oxidative coupling system, which utilizes environmentally friendly and naturally abundant O2, producing sulfonamides and disulfides in high yields. Reactions showed good tolerance toward various amines and thiols. Activation of the N-H bond by 2,2-disbenzothiazoledisulfide showed the great potential in organic synthesis. Conclusion & Significance: We successfully developed a highly efficient and sustainable metal-free radical-medicated method to generate compounds containing S-N and S-S bonds in high yields. The TEMPO-catalyzed aerobic oxidative homocoupling of thiols or heterocoupling of thiols with amines provides a new prospect for large-scale syntheses of disulfides and sulfenamines, such as rubber accelerator TBBS, which is required in metric tons worldwide each year.

  • Ab initio calculation of structural and elastic properties of Mg2Sn and Mg2Pb compounds
    Speaker
    Chaouche Yassine
    University of Larbi Tébessi
    Algeria
    Biography

    Chaouche Yassine obtained his PhD in Material Physics in January 2017. He is a Lecturer in the University of Larbi Tebessi Tebessa at Algeria since 2012. His expertise is in computing science with ABINIT code and others codes within Lunix environment.

    Abstract

    We present first principle studies of structural and elastic properties of antifluorite compounds Mg2Sn and Mg2Pb. All the calculations are carried out using the plane wave pseudopotential method within the density functional theory (DFT) in the local-density approximation. The equilibrium lattice parameters are obtained by minimizing the energy with respect to volume. The elastic properties are calculated such as the elastic constants Cij and the Young modulus E, shear modulus G and Poisson ratio ?.

  • Efficient extraction and functionalization of cellulose nanocrystals through hydrochloric acid hydrolysis under hydrothermal conditions
    Speaker
    Miao Cheng
    Donghua University
    China
    Biography

    Miao Cheng is a student at College of Materials Science and Engineering at Donghua University. His research interests involve the sustainable production of materials from biomass, development of high performance nanocomposites with the incorporation of cellulose nanocrystals, extraction and functionalization of cellulose nanocrystals, and all-cellulose nanocomposites.

    Abstract

    A facile and efficient approach to prepare cellulose nanocrystals (CNCs) is presented through hydrothermal procedure by using inorganic chlorides as catalyst. The role of inorganic chlorides including ferric chloride hexahydrate (FeCl3•6H2O), copper chloride dihydrate (CuCl2•2H2O), aluminum chloride (AlCl3) and manganese chloride tetrahydrate (MnCl2•4H2O) played on the extraction and properties of high quality CNCs were determined. It is observed that the introduction of inorganic chlorides obviously enhanced the hydrolysis process through faster degradation of disordered region of cellulose. Compared with those for pure hydrochloric acid hydrolysis, smaller diameter and larger length to diameter ratio of CNCs could be obtained through salt–catalyzed hydrolysis. In addition, carboxylated cellulose nanocrystals (CCNCs) could be obtained by a similar one?step procedure through a mixed acid system of hydrochloric acid and nitric acid (HCl/HNO3). It is found that the addition of nitric acid could not only promote the conversion of surface groups on the CNCs, but also have significant influences on the yield, particle size and microstructure of CNCs. For the volume ratio of HCl/HNO3 of 7:3, the as?prepared CCNCs exhibited the largest length to diameter ratio and narrowest dimension distributions as well as maximum degree of oxidation of 0.12. Furthermore, high dispersion stability for the CCNCs could be observed due to the existence of negative carboxyl groups. These results show that the using of salt–catalyzed hydrolysis especially ferric chloride has a significant improvement on achieving high quality CNCs and the mixed acid system treatment could greatly simplify the preparation of CCNCs with high yield and high crystallinity under mild hydrothermal conditions.

  • Design and development of an advanced solar module for a cruiser vehicle
    Speaker
    Alberto Lucci
    University of bologna
    Italy
    Biography

    Alberto Lucci completed his Master’s Degree in Aerospace Engineering at the University of Bologna, Italy, in 2015. He is now working, as Research Fellow, in the field of Micro-propulsion for Nanosatellite and Sustainable Mobility. The current investigation is part of the Onda Solare project for a solar mobility where he is in charge of developing a new solar module for solar vehicle.

    Abstract

    Believing in a cleaner world does not mean to give up an asset, but to fully live in it in a sustainable way’. In line with this concept, we intend to take an active role for a better future, developing a new sustainable vehicle, since powered by a ‘special fuel’: the Sun. The entire project, named as Onda Solare, moves around the word ‘efficiency’ and, in particular: new materials, able to guarantee the highest levels of lightness and eco friendliness; aerodynamics studies with the aim to increase the performance, reducing energy wastes design and development of an efficient propulsion system, based on a solar powertrain innovation solution for catching the solar energy, transforming it in motion. According to this last aspect, we are designing and developing an advance solar module to be installed in such new class of vehicle. Also considering the current prototypes, the module is lighter, more flexible and more efficient than the previous ones. These performances are achieved by a proper choice of materials, used as layers for reinforcing the structural parts. Using these ‘sandwiches’, extremely low density and lightest components are obtained. But, the core of the current investigation is in the selection of a proper combination of solar cells and treatments. High efficient monocrystalline silicon photovoltaic cells (by SunPower) are encapsulated and protected by custom-built treatments with the aim at obtaining the minimal losses in terms of energy. This result becomes physically possible when the solar module, also thanks to the consistency of its protective casing, can catch the proper part of the light spectra for activating the photoelectrical effect, and, at the same time, rapidly dissipate the excess of heat in the way not to reduce the global efficiency. Different tests, performed using a solar simulator equipment, permit to qualify the level of performance.

  • Using finite elements for improving the sustainability in ceramic processes
    Speaker
    Giuseppe Lucisano
    University of bologna
    Italy
    Biography

    Giuseppe Lucisano obtained his degree in Mechanical Engineering at Bologna University. He also received the PhD in Mechanics of Materials and Technological Processes and worked in R&D packaging and woodworking machines sectors at the same university. He managed several cooperation projects at national and international level. He is an independent expert for research project evaluation for the EC, Member of Advisory Boards of PRIME FP7 project on Plug and Produce Intelligent Multi-Agent Environment based on Standard Technology and Pathfinder FP7 project on pointing the way to the future of manufacturing. He is a member of Expert Committee of the PROsumer.NET FP7 coordinating action as well as the managing and coordination board of Italian Cluster of Intelligent Factory. He is the President of ER-Amiat platform on Advanced Mechanics and Industrial Automation Technology.

    Abstract

    Ceramic wall and floor tiles represent, nowadays, an enormous market sector, where billions of tons of material per year have to be manufactured and moved worldwide. In consequence, it also represents a productive sector where a huge amount of materials and energy is necessary. There is a thin line between the use and the misuse of these resources in the tiles life cycle, even if the extraordinary impact on the overall process/product sustainability is evident and clearly demonstrated. Thus, a great deal of effort is dedicated into improving the sustainability in each stage of the ceramic tile process. The aim of our research is to take advantage of Finite Elements, including the development of new methods and techniques, for the optimization of the ceramic processes, both in terms of energy and materials, toward the minimization of the ‘embodied energy’ including byproducts use. The attention is mainly focused on the case of large dimension tiles (> 3 meters), in Grés porcelain stoneware, considering their fundamental relevance in terms of technological innovation and current commerciality. The research action spreads on the whole production process, throughout the different manufacturing steps: from powder mixing, drying, and molding to the optimal use of kiln and cutting/finishing tool machines.

  • Investigation of Impact in Biocomposites for Application in Solar Vehicles
    Speaker
    Felipe Vannucchi de Camargo
    University of bologna
    Italy
    Biography

    Felipe Vannucchi de Camargo has completed his master’s degree at the age of 22 years at the Federal University of Rio Grande, Brazil, fulfilling with fullsponsorship the Mechanical Engineering curriculum also at the University of British Columbia, Canada. He then became a Research Fellow at the University of Bologna, Italy, where he currently develops researches related to composite materials with intent at studying structural applications for solar cars. Within his first 7 months of work, the young researcher published 2 book chapters and 4 scientific articles, summing up 20 citations so far. He is now deeply involved in the OndaSolare project, with the scope to design and build the first 4-seat solar car in Italy.

    Abstract

    The challenging material selection process for building a solar car relies both on picking lightweight and sustainable materials, embodying the eco-friendly mobility element. On that matter, biocomposites have been known for a long time as an alternative to traditional composites (e.g. glass or carbon reinforced), especially when the concern for sustainability overcomes eventually higher material costs and lower mechanical resistances. However, to enable a whole category of yet lowdiffused materials to be used on its full potential for structural applications, it is necessary to acknowledge a full overview of its mechanical capabilities. Lately, numerous experimental trials on biocomposites have allowed a sensible understanding of their properties to be matured. The same cannot be said of the use of numerical modeling as a design and verification tool for such materials, whereas informational gaps interweave with often too generalist calculation tools. This methodological threshold becomes even more evident when there is a need to model low speed shock phenomena on biocomposites, being it fundamental for the safety analysis of a vehicle. In response to this situation, this article is intended to serve as an incipient guide to provide valuable suggestions and advice on the subject, thanks to a combination of information from the external studies available and the many tests carried out to evaluate the simulation response. Particularly, the computational code LSDYNA is advised to be used for providing accurate outcomes for dynamic simulation events, along with shell elements and other specific degradation steps inherent to the MAT_54 material model. The calibration of the numeric model was made on a basalt/vinylester laminate, aiming to provide a more solid understanding on the impact behavior of biocomposites for future structural applications on a solar car, reinforcing its sustainability essence.

Workshop
Chair
Speaker
  • Sustainable processing of biomass and its derivatives
    Speaker
    Marcelo E. Domine
    Polytechnic University of Valencia
    Spain
    Biography

    Marcelo E. Domine completed his PhD at the Polytechnic University of Valencia (Spain) in 2003 under the guidance of Prof. A. Corma, and postdoctoral studies at the IRCELYON - CNRS (France, 2005-07). In 2008, he re-joined the Instituto de Tecnología Química (UPV-CSIC) of Valencia, Spain as Scientific Researcher of CSIC.

    Abstract

    Lignocellulosic biomass from agricultural and forest residues ¾which does not compete with land use for other crops or for food production¾ is presented as an alternative for fuels and/or chemicals production, thus reducing our fossil fuels dependence. Nowadays, the processes of transformation of renewable raw materials (i.e. vegetal biomass) for the production of hydrocarbons and other chemical products are, in general, more expensive than the conventional processes, making the valorization processes for the biomass and the obtained bio-products not competitive with their analogues derived from petroleum. For this reason, a major challenge for chemists is to try to develop new (chemo-, bio-, combined systems) catalytic routes to convert biomass and its derivatives into fuels and chemicals through sustainable and economically viable processes in bio-refineries. In this context, and aligned with the new bio-economy and zero-waste concepts, the new bio-refineries should produce these bio-products for fuels and chemicals applications by reducing wastes, this including both decreasing of side-products formation and residual effluents valorization in an integrated approach. The workshop will be addressed to scientists, experts and students participating in the congress from both industry and academia whose are active in the area of biomass valorization via thermo-chemical and biological processes. Emphasis will be placed on the utilization of lignocellulosic biomass (including non-edible crops or low quality oils), which do not compete with food. In terms of conversion processes, the use of green catalytic methodologies (mainly heterogeneous catalysis) will be discussed. Moreover, alternative biomass-based products that are safer and have a reduced environmental footprint will be discussed, along with the integrated bio-refinery and energy conservation concepts. The issue of “metrics” in assessing the economic and environmental impact of biomass conversion to various products will also be considered.

Day 3

Green Synthesis | Green Manufacturing | Green Chemistry
Chair
Co-Chair
Speaker
  • DOZN – A quantitative green chemistry evaluator
    Speaker
    Ettigounder Ponnusamy
    MilliporeSigma
    USA
    Biography

    Ettigounder (Samy) Ponnusamy completed his PhD at the University of Madras (India) in 1982 and postdoctoral studies at the University of Illinois at Chicago (1983-87). In 1988, he joined Sigma-Aldrich as an R&D Scientist and worked on many high value projects at various capacity. Currently Samy is the Fellow in Green Chemistry at MilliporeSigma (formerly Sigma-Aldrich), leading the Green Chemistry Initiatives. Samy’s work was recognized by The Academy of Science St. Louis, awarded an outstanding scientist award in 2011 and also inducted as a Fellow of the Academy of Science St. Louis.

    Abstract

    Millipore Sigma created a unique web-based greener alternative scoring matrix, also known as DOZN™, a quantitative green chemistry evaluator based on the 12 principles of green chemistry. The 12 principles of green chemistry provide a framework for learning about green chemistry and designing or improving materials, products, processes and systems. DOZN scores products based on metrics for each principle and aggregates the principle scores to derive a final aggregate score. The system calculates scores based on manufacturing inputs, GHS and SDS data which provide a green score for each substance. DOZN is flexible enough to encompass the diverse portfolio of products ranging from chemistry to biology based products. The DOZN system has also been verified and validated by a third party to ensure best practices and are applied. This new greener chemistry initiative offer customers an increased breadth of greener alternative products with confirmatory documentations to validate greener characteristics.

  • Production of Silver Nanoparticles by spent coffee grounds extracts
    Speaker
    Antonio Zuorro
    Sapienza University of Rome
    Italy
    Biography

    Antonio Zuorro is a Professor of “BioChemical Engineering Fundamentals” and “Chemical Engineering for BioMedical Systems” at the Department of Chemical Engineering Materials & Environment of Sapienza University of Rome, where he received his M.S. and Ph.D degrees in Chemical Engineering.

    Abstract

    Spherical silver nanoparticles (AgNPs) were synthesized through a novel green method employing spent coffee grounds (SCG) phenolic extracts obtained with hydro-alcoholic mixtures. The bio-reduction of AgNPs was carried out at 25 °C under stirring, employing an aqueous solution of silver nitrate as a precursor and the polyphenols obtained from SGC extracts as reducing and capping agents. To monitor the formation of AgNPs, UV-Vis spectra were recorded and the intensity of the surface plasmon resonance (SPR) band of silver at 405–430 nm was measured. The synthesis of Ag NPs was completed in 5 hours. Trasmission Electron Microscopy (TEM) observations showed that the AgNPs obtained exhibited a spherical shape. The mean hydrodynamic diameter and zetapotential were measured through Dynamic Light Scattering (DLS) technique. XRD patterns were acquired to assess the crystalline structure of the AgNPs, which exhibited a cubic face centered lattice.

  • Asymmetric synthesis of potential biologically active new heterocyclic analogs of (S)-?-alanine containing 3,4-substituted 5-thioxo-1,2,4- triazoles in the side-chain radical
    Speaker
    Hayarpi M Simonyan
    Yerevan State University
    Armenia
    Biography

    Hayarpi M Simonyan works in Institute of Pharmacy of Yerevan State University. Her research field of interest is Biomimetic Asymmetric Synthesis. She has her expertise in elaboration of high selective methods of asymmetric synthesis of enantiomerically enriched non proteinogenic amino acids. She completed her PhD degree in Chemistry during the year 2013 specializing in Bioorganic Chemistry.

    Abstract

    Statement of the Problem: Non-proteinogenic ?-amino acids are constituents of many physiologically active peptides, antibiotics and other pharmaceutical preparations. Especially ?-amino acids and peptides, containing a N-heterocyclic substituent in the side chain, are of considerable importance in medicinal chemistry because they combine the pharmacophoric groups of amino acids and N-heterocycles. These compounds also belong furyl-, thiophenyl- and triazole-containing structures that are important constituents of many biologically and pharmacologically active drugs such as anti-hyperglycemic, analgesic, anti-inflammatory, antibacterial, anticancer, antifungal, antitumoral, antiviral and psychotropic. Aim: The goal of our research work is elaboration of efficient high-selectivity method for asymmetric synthesis of enantiomerically enriched substituted ?-alanine containing triazole rings in side chain radical. Materials & Methods: Efficient high-selectivity method for asymmetric synthesis of new heterocyclic substituted derivatives of ?-alanine, through the nucleophilic addition of the substituted triazoles to the C=C bond of dehydroalanine moiety in Nill complexes of Shiff ’s base with chiral auxiliaries (S)-2-N-(N'-benzylprolyl)aminobenzophenone and (S)-2-N-(N'-chlorbenzylprolyl) aminobenzophenone was elaborated. Results: The results show, that the stereoselectivity of the reaction of nucleophilic addition in case of the complex containing Cl-atom at the 2nd position of Ph-group of N-benzyl proline moiety is increased (up to 96%). Heterocyclic substituted derivatives of (S)-?- alanine were isolated with high optical purity (ee>99%) after decomposition of the mixture of the diastereomeric complexes and ion-exchange purification of the target amino acids. Conclusion: The advantage of these complexes is the regenerability of the initial chiral auxiliary reagents in quantitative chemical yield and complete retention of the original chirality (optical activity) after completion of the synthesis and isolation of the desired products. This allows multiple reuses of the chiral auxiliaries.

  • Innovative green routes to noble metal nanoparticles
    Speaker
    Magda Blosi
    Yerevan State University
    Armenia
    Biography

    Magda Blosi, PhD in Industrial Chemistry (University of Bologna, 2009), is Researcher at the Institute of Science and Technology for Ceramics (ISTEC). She holds expertise in synthesis and characterization of metal and oxide NPs for application as catalysts, surface coatings, hydrophobic and olophobic surfaces and thermal nanofluids. She developed several synthesis methods and she is involved in different kinds of research projects (national, EU and with companies). She has collaborated in FP7 collaborative project SANOWORK and is collaborating in FP7 large collaborative project SUN, addressing research to develop “design option based” risk remediation strategies. She is co-tutoring students, planning and supervising their thesis experimental work.

    Abstract

    The integration of green chemistry principles into nanoscience has attracted much attention over the past decade, aiming at the design of more sustainable synthesis processes. In this work, we report two environment-friendly and patented routes to the production of different noble metal nanoparticles (Au, Ag, Cu, Pd) in form of stable suspensions even at high solid loading for application in catalysis or as antibacterial coatings. In the light of the “green” synthetic strategy for industrial scale manufacture we exploited cheap, renewable and nontoxic reagents and water as solvent. The first patented route is referred to surprisingly green and versatile synthesis of an innovative antibacterial hydrogel, based on AgNPs capped with hydroxylethylcellulose (Ag-HEC) and performed at room temperature. The outstanding potentialities of this method stem from its low toxicity and environmental impact combined with the absence of any kind of heating treatment and satisfying the typical industrial scale-up requirements. Spherical AgNPs of about 15-20 nm are prepared in form of concentered hydrogel suspensions (0.5-1%wt), stable over time (12 months), with tunable viscosity, outstanding antimicrobial activity (total bacterial depletion), but reduced cytotoxicity. With the same method also Au, Ag and Pd have been prepared. The easiness and the efficiency of the method represent a further advantage with respect to the common synthesis strategies. The second patented route exploits glucose as non-toxic reducing agent, polyvinylpyrrolidone (PVP) as chelating additive and microwave as heating source to foster the homogeneity. By means of this preparation spherical bimetals (AuCu, AuAg, PdCu, AuPd) as well as the respective monometallic nanoparticles are synthesized in form of stable highly concentered (0.5-4%wt) suspensions. A deep characterization has been performed on prepared sols using HR-TEM, EDS, UV-vis spectra and XRD analysis. Thanks to an accurate reaction optimization particle size-control, total reaction yield and longtime stability (12 months) have been achieved.

  • Efficient method for the synthesis of novel enantiomerically enriched derivatives of propargylglycine
    Speaker
    Anna F Mkrtchyan
    Yerevan State University
    Armenia
    Biography

    Anna F Mkrtchyan works in Institute of Pharmacy of Yerevan State University and SPC “Armbiotechnology” NAS RA. She got her PhD degree in Chemistry in 2013 specializing in Bioorganic Chemistry.

    Abstract

    Alkyne-containing amino acids are versatile structures readily available by a number of methods and are accessible using very few transformations from economical starting materials. They can be functionalized by many chemical functions and offer a wide range of possible transformations. Particularly, unsaturated ?-amino acids give access to many synthetic applications in all fields of chemistry. Among them, metal catalyzed cross-coupling reactions and cross metathesis are commonly used to generate peptide modifications and cyclization. They are very interesting and useful tools for “Click” Chemistry in peptidomimetic drug design or covalent modification of proteins. They can also be incorporated in compounds as beta-turn inducer to promote secondary structures. Finally they can be used for the preparation of stapled peptides. Some such amino acids are commercially attainable in enantiomerically pure form. Here, we present a stereoselective approach to synthesize unsaturated ?-amino acids in optically active form. As a starting amino acid synthon for the asymmetric synthesis of amino acids NiII square-planar complexes of Schiff ’s bases of propargylglycine with chiral auxiliary (S)-2-N-(N`-benzyl-prolyl)aminobenzophenone (BPB) (1) was taken. As a result effective methods of asymmetric synthesis for novel enantiomerically enriched derivatives of (S)-propargylglycine (S)-propargylglycine (ee > 80%) was developed.

  • Micro/nano-architecture assisted electrochemistry on electrode materials bioinspired by butterfly wings
    Speaker
    Tongxiang Fan
    Shanghai Jiaotong University
    China
    Biography

    Tongxiang Fan received his PhD in Materials Science from Shanghai Jiaotong University in 1999. He is currently a Professor of Materials Science in Shanghai Jiaotong University, China. He has received several scientific awards, including the STA Fellowship (Japan, 2000) and Fok Ying Tung Foundation (Hong Kong, 2003). His main research interests focus on bioinspired/biomimetic materials and their applications in energy and environmental fields.

    Abstract

    Rapid depletion of fossil fuels raises serious energy and environmental problems. Electrochemistry which converts chemical energy into electrical energy/signal with little or no pollution is a more sustainable and environmentally friendly way to support the fast developing world. Researching and developing efficient electrode materials is a basic and essential issue to promote electrochemical performance in almost all electrochemical devices. Due to its high specific surface area, micro/nano architectured electrodes are increasingly investigated and studied. In the past few years, our group use butterfly wings as template warehouse to obtain electrode materials with various elaborate micro/nano-architectures and explore architecture effects on different electrochemical systems. Pt samples with three different butterfly-wing architectures were synthesized through electroless deposition and investigated as anode materials for methanol oxidation. Lamellar ridge-Pt was proved to exhibit the best electrocatalytic performance, whose methanol oxidizing peak current density was 5.2 times higher than its unarchitectured counterpart. This work confirms the lamellar ridge butterfly-wing architecture as one of the most effective electrode architectures, which shows great application potential in the electrochemical arena. To extend application arena to electrochemical detection, lamellar ridge-Au was fabricated using the same method. The sensitivity for glucose electrochemical detection was increased by 5.8 times and the detection limit was lowered by 3.7 times compared to its unarchitectured counterpart. According to simulation results, an efficient zigzag diffusion in the lamellar-ridge architecture and more efficient “thin layer diffusion” in the space of adjacent lamellae occurred for rapid transport and depletion of electrolytes. By combining experimental and simulation method, these efforts provide a simple and reliable way to select efficient micro/nano-architectures for electrode based on the structural pool of butterfly-wings. These efforts may provide reference and prototype for future structural design of electrode materials with enhanced electrochemical performance.

  • Ultrasound and microwaves assisted synthesis of molecules with antiquorum sensing activity
    Speaker
    Alicia Reyes-Arellano
    National Polytechnic Institute
    Mexico
    Biography

    Alicia Reyes-Arellano has her expertise in design and synthesize of compounds with pharmacological activity and passion in improving the synthetic procedures according the green chemistry. Her fields are organic chemistry, medicinal chemistry and nanostructures synthesis. She has interest in teaching and improved the plans and curricula in her Institution. She is also interested on HPLC-MS studies

    Abstract

    Statement of the Problem: It is necessary to synthesize molecules that can function as biososteres1 of acyl homoserine lactones2 (AHL) or bioisósteres of tirosol,3 which can be evaluated on Gram-negative bacteria or Candida albicans respectively. On the other hand it is indispensable that the synthesis is carried out considering energy efficiency, operational simplicity and good yield in short times. By the above mentioned, molecules were designed for this purpose and planted some chemical synthesis procedures. Findings: Compounds 1 were synthesized in two steps, from p-hidroxy benzaldehyde,4 one of them was carried out by sonication. Compounds 2 were totally synthesized by sonication, based on a report of literature5; global isolated yield 85-95%. Synthesis of compounds 3 and 4 involves a cyclization, it was carried out by MW or ultrasound. Good yields were obtained when the raw material contain long chains. Excellent yields were achieved when the raw material had short chains. The ultrasound has the advantage the time is minimum compared with MW or conventional heating. Compounds 3 were prepared from p-amino toluene and compound 4 from p-hydroxibenzaldehyde. It is important to mention that alkylation of p-hydroxibenzaldehyde demands 18h of heating, while using MW the reaction requires only 4h and 2h with ultrasound. Conclusion & Significance: Diols, alcohols and imidazolines were prepared using a very simple protocols using MW or ultrasound in good to excellent yields. The synthesized compounds are currently evaluated as antiquorum sensing molecules in Serratia marcescens and Candida albicans, in fact some of them present activity as antiquorum sensing compounds.

Renewable Sources | Non-thermal Activation Methods | Valorisation of Waste into Chemicals
Chair
Co-Chair
Speaker
  • Potential deconstruction of recycled wood, structural features of isolated lignin and ways to activate it for material applications
    Speaker
    Detlef Schmiedl
    Fraunhofer Institute for Chemical Technology
    Germany
    Abstract

    Statement of the Problem: With global rising use of wood & other lignocelluloses in the future, the importance of efficient utilization of recycled wood (RW) will increase. Present utilization ways of RW-AI (natural wood, only processed mechanically, German classification) are composites & combustion. Composition and availability of RW-AI offer a high potential for valorizing in biorefineries to generate biogenic chemicals & fuels. The efficiency of present & future lignocellulose biorefineries can be increased by valorizing of lignin. Methodology: A potential decomposition process of RW-AI is ethanol based E/W-OrganoSolv cooking to generate well hydrolysable polysaccharides & Sulfur-free lignin. Depending on parameters, high quality lignin charges, differing in yield & features (MN, MW, MW/MN, phenolic & aliphatic OH-groups) are available. It is evident, that valorizing of lignin in several material applications strongly depends on present & on adjustable structural features by chemical modification. Such lignin activation steps are: grafting of molecules, containing defined functional groups (e.g. 2, 3-epoxy-1-propanol & derivatives), onto the lignin-based molecule, as well as catalyzed generation of oligomers, with accompanying elimination of steric hindrances & increase in phenolic OH-groups. Findings: Optimized auto- & acid-catalyzed E/W-OrganoSolv on RW-AI generate lignin yields of 50 to 70% respectively, in high quality & charges differing in structural features. Base Catalyzed Depletion (BCD) of lignin in a continuously plug flow reactor, under gentle to strong conditions, generate BCD-oligomers with yields of 90 to 40% respectively. Structural features of lignin & of oligomers are adjustable. The addition reaction, “catalyzed, region-selective epoxy-ring-opening” of 2, 3-epoxy-1-propanol by phenolic OHgroups, in alkaline solution or in ethanol is useful to increase the aliphatic OH number in lignin & BCD-Oligomers. Several catalysts are available to use also green solvents, as reaction medium. Conclusion: Such lignin modification processes enlarge the scope of application as a result of changes involved in chemical & physical characteristics.

  • Bio-oil refineries: Challenges and opportunities
    Speaker
    Manuel Garcia-Perez
    Washington State University
    USA
    Abstract

    Biomass derived pyrolysis oils are complex mixtures of hundreds of compounds. These oils typically contain water (19-26 wt.%), GC/MS detectable volatile compounds (30 wt.%), lignin derived oligomers (15-23 wt.%) and water soluble (WS) compounds (28- 36 wt.%). The nature of the WS oligomers is still poorly known. In this presentation, we will discuss two strategies to describe the bio-oil composition in terms that can be used for engineering design. The first approach is formalization of the bio-oils’ composition in terms of functional groups; the second describes bio-oils’ composition in families based on their volatility behavior in thermogravimetric analyses. The chemical composition of the WS fraction is described in detail. Our FT-ICR-MS and UV-Fluorescence studies allowed us to identify the presence of two new fractions: dehydrated sugars and WS oligomeric phenols. Here we will discuss the advances made by our group on the evaluation of bio-oil new separation schemes and on the development of new products from bio-oil fractions. The combination of these separation schemes with technologies to obtain high value products is foundation for the synthesis of new bio-refinery concepts. We will address several potential bio-refinery concepts, their challenges and opportunities.

  • Use of clays and clay wastes as artificial pozzolans in eco-cement manufacture: A review
    Speaker
    Siline Mohammed
    University of M'sila
    Algeria
    Biography

    Siline Mohammed has a PhD in Civil Engineering. He is interested in cement manufacture, in order to develop new materials that can lead to a better and more ecological product. Currently, he is working on the valorization of clays and clay wastes as active additions of pozzolanic character in cement. Pozzolans processing, their efficiency and their pozzolanicity assessment are his areas of interest.

    Abstract

    Portland cement manufacturing is considered to be one of the highest CO2 emitting industries in the world by emitting almost 0.83 kg of CO2 per each kg of cement produced. As a solution to reduce this CO2 emissions level, we use blended Portland cement. The CEM II is obtained by replacing a part of clinker by an addition, as described in the EN 197-1 standard. Among the materials cited in this standard, there are artificial pozzolans. When used as partial replacement of clinker or cement and in presence of water, the pozzolanic materials react with the calcium hydroxide Ca(OH)2. This reaction leads to a new cementitious compounds NCC (C-S-H, CAH, CASH) comparable to those formed during the ordinary cement hydration. Treated clays are an artificial pozzolans widely studied in the last years. It is known that these materials are essentially composed from phyllosilicates, quartz, carbonates, etc. As the pozzolanic reactivity depends mainly of phyllite minerals, several features must be taken into consideration, especially the dehydroxylation rate. Generally, the dehydroxylation is obtained by thermal treatment, which varies from clay to another. Recent studies have shown that the use of treated clays may lead to improvements in mortars and concretes properties, whether at the fresh state or the hardened one. The assessment of these improvements is often conducted by many techniques and tests allow estimation of the treated clays pozzolanicity. This paper presents an overview of the literature related to the elaboration, the utilization, the efficiency and the pozzolanicity tests of some clay minerals and wastes used as reactive additions in blended cements.

Young Researchers Forum
Chair
Co-Chair
Speaker
  • Synthesis of a stable iron oxide nanoparticles in ionic base fluid for photo-thermal conversion applications
    Speaker
    Ehsan Nourafkan
    University of Leeds
    United Kingdom
    Biography

    Ehsan Nourafkan is a Research Fellow in the School of Chemical and Process Engineering at the University of Leeds. His research interests are Surface Chemistry, Polymers and Colloid Science, Nanofluids and Green Energy.

    Abstract

    Microemulsion-mediated method is one of the unique and ideal techniques for the preparation of nanoparticles. A onepot microemulsion method was introduced in this research to synthesize and disperse iron oxide (Fe3O4) in an ionic base fluid of lithium bromide-water. An effective steric repulsion force was provided by the surface functionalization of nanoparticles during the phase transfer. The functionalization stage was performed by formation of a bi-ligand surfactant around nanoparticles during the phase transfer of particles from oil phase to water phase. The formed nanoparticles exhibited a superior stability against agglomeration in the presence of high concentrations of lithium bromide, i.e. 50 wt%, which make them good candidates for a range of novel applications. The nanoparticles were analyzed by zeta potentiometer, Lumisizer dispersion analyzer, UV-visible spectroscopy, dynamic light scattering (DLS) and transmission electron microscopy (TEM). As the reactants concentration and temperature is elevated, the crystalline structure completion increase gradually, and the morphology of nanoparticles changes from a spherical into a rod-like shape. The photo-thermal conversion characteristics of spherical and rod-shape nanoparticles also was studied under a solar simulator. Experimental analysis indicates that the benefit of adding iron oxide nanoparticles into fluid was not only increasing photon trapping efficiency to increase the bulk temperature under solar radiation, but also more likely to increase evaporation rate due to surface localized heat generation. According to the results, the suitable photo-thermal conversion of nanoparticles together with high stability in ionic media, nominates the iron oxide nanoparticles as a good candidate for using in solar air conditioners.

  • Biomass nitrogen-enriched pyrolysis for nitrogen-doped carbon materials of supercapacitors
    Speaker
    Wei Chen
    Huazhong University of Science and Technology
    China
    Biography

    Haiping Yang has been the Research Fellow of the State Key Laboratory of Coal Combustion in Huazhong University of Science and Technology since 2005. She received her PhD degree from Huazhong University of Science and Technology in 2005. Her major research areas are: biomass pyrolysis for gas, bio-oil and char multigeneration, especially on the fundamental study of biomass pyrolysis; Biomass gasification for H2 enriched synthesis gas; Biomass catalytic fast pyrolysis for liquid fuel; biomass pyrolysis for high-value products. She has published more than 60 papers. She was an excellent youth winner of Natural Science Foundation Project. Published articles from Fuel (2007, 86: 1781-1788) and Energy & Fuels (2006, 20(1):388-393) have been cited in ESI database from 2010. So far the number of citation in web of science for the two papers is 1367 and 313, respectively. The paper in Fuel journal is also one of the most downloaded and cited one

    Abstract

    Biomass is a clean, renewable and abundant resource that can be converted to bio-char, bio-oil and fuel gas through various thermochemical processes. Conversion of biomass for high value products is an important development direction for biomass utilization, which has attracted more attention. In this study, a new method of biomass pyrolysis with exogenous nitrogen introduced was proposed. The influence of NH3 on the property of bamboo pyrolysis process and products characteristics was investigated with variant approaches (e.g. elemental analysis, automatic adsorption equipment, X-ray photoelectron spectroscopy and CHI760 electrochemical workstation) and as well as the influence of KOH (as activator). The results showed that, the specific surface area, the content of nitrogen and nitrogen-containing functional groups of bio-char increased significantly with NH3 introduced in. On the other hand, with the addition of KOH, the yield of bio-char increased obviously and it increased gradually with increasing KOH amount, and the specific surface area increased dramatically to 1873.17 m2 g-1. The content of nitrogen in bio-char increased greatly with KOH introduced in, especially the content of pyridinic-N and pyrrolic/pyridone-N, while it decreased slightly with increasing KOH amount, but nitrogen content was still relative high (9.1-10.4 wt.%). The formation mechanism of nitrogen-containing functional groups was proposed. Besides, electrochemical analysis showed that the specific capacitance of bio-char electrodes increased with increasing KOH content, and the largest specific capacitance could reach to 187 F g-1 at 1 A g-1 with good cycling stability. Therefore, it could be concluded that biomass nitrogen-enriched pyrolysis was a promising method for more efficient utilization of biomass resources.

  • Green design of lock-and-key affinity devices to address API purification challenges
    Speaker
    Raquel Viveiros
    Universidade Nova de Lisboa
    Portugal
    Biography

    Raquel Viveiros is finishing her PhD project in Sustainable Chemistry in collaboration between NOVA University of Lisbon and a pharmaceutical company Hovione. She performed a short training ship at the Prof. Sergey Pilestky´s Biotechnology group at University of Leicester on solid-phase synthesis and molecular modeling systems. She also worked as Research Fellow in the several projects related to the development of affinity devices for different applications. Her multidisciplinary professional background covers green chemistry, organic and analytical chemistry, molecular recognition, molecular imprinting, process development, and pharmaceutical purification processes. In addition, last year she was team member of COHiTEC 2016, a training program in technology commercialization.

    Abstract

    Statement of the Problem: Pharmaceutical industry spends a very significant amount of its financial resources in API (Active Pharmaceutic Ingredients) purification processes to comply with impurity limits imposed by regulatory agencies (FDA and EMEA). To address this worldwide demand, several purification materials have been proposed, such as molecular imprinted polymers (MIPs). These lock-and-key affinity materials can be produced by different conventional approaches. In the last years, the use of the Green Chemistry principles has changed the way polymers can be produced. Green technologies applied to MIP development are appearing not only due the environment issues but also by the features of the final product and cost-effective production from the point of view of industry. MIPs have been developed in our lab using supercritical carbon dioxide (scCO2) technology. These affinity materials have been obtained for wide range of applications, namely pharmaceutical impurity removal, enrichment of natural products, removal of contaminants from diesel and from water ressources. Lock-and-key affinity materials are obtained as ready-to-use and easy-to-handle dry-powders of homogenous particle sizes, without organic solvent residues. Methodology & Theoretical Orientation: With the aim of achieving lock-and-key affinity materials to address efficiently API pharma demand, several strategies were explored using scCO2 (Figure 1). Herein we show three case studies, including (i) the synthesis of high affinity polymers for API impurity; (ii) the production of large core-shell affinity beads for gravity-driven purification processes and (iii) the use of computational tools to perform the rational design and optimization of the affinity materials, in which the CO2 was introduced for the first time as the solvent in the molecular modelling simulations, for a cheaper and less time-consuming processes. Conclusion & Significance: The affinity materials produced in scCO2 are obtained in a green way, bringing advantages to the process itself such as by reducing the use of organic solvents, and mechanical crushing and sieving compared to conventional processes, as well as to advantages over other affinity molecules such as antibodies and enzymes: they are stable over harsh pH, pH and temperature conditions, they are reusable and robust, whilst obtained in high purity and ready-to-use. In addition, results obtained in the 3 examples mentioned above revealed a good performance in API impurity removal. We also show that computational approaches are an added-value tool and key advantage in the rational design of the best affinity systems when using a green technology, avoiding hard and time-consuming screening methodologies and consequently reducing time and organic solvents consumption.

  • Chemoselective hydrodehalogenation and high efficiency birch reduction using two-dimensional inorganic electride dicalcium nitride ([Ca2n] +?e-) as a reducing agent
    Speaker
    Byung Il You
    Sungkyunkwan University
    South Korea
    Biography

    Byung Il Yoo got his Bachelor’s degree in Department of Chemistry from Korea Advanced Institute of Science and Technology in 2014. Since 2016, he joined prof. Sung Wng Kim’s group of Sungkyunkwan University as Post-Graduate student. He research interest includes synthesis new type of inorganic electride, chemical application of inorganic electride.

    Abstract

    Polycyclic aromatic and halogenated organic compounds are known as a functional material which has applications in chemical industry, biology, pharmacology. Inspite of the utility of polycyclic aromatic and halogenated hydrocarbons, it has concerns about human health such as carcinogenic or mutagenic risk and considerable environmental pollution. In hydrogenation of polycyclic aromatic hydrocarbons (Birch reduction) and dehalogenation reactions, the consecutive single-electron transfer from reducing agents generates the radical and corresponding carbanion and removes the halogen atom and ?–conjugated electron in polycyclic aromatic compounds. The most prominent feature of two-dimensional electride [Ca2N] +·e-- is powerful electron donating nature as reductant originated from high electron concentration and low work-function. The electron donating ability of two-dimensional electride was demonstrated through single electron transfer involving chemical reactions such as pinacol coupling reaction, trifluoromethylation, transfer hydrogenation. Herein, we report a new strategy for efficient chemoselective hydrodehalogenation through the formation of stable carbanion intermediates, which are simply and birch reduction of polycyclic aromatic rings by using the anionic electrons of two dimensional inorganic electride [Ca2N]+·e--with effective electron transfer ability. The consecutive singleelectron transfer from inorganic electride [Ca2N] +·e-- stabilized free cabanions, which is a key step in achieving the selective reaction. The control of equivalent of inorganic electride [Ca2N] +·e--and reaction condition provided exceptional reactivity in comparison with other reducing agents such as cobalt nanoparticle, manganese nanoparticle, Samarium iodide (SmI2) and sodium silica-gel. Also, a determinant more important than leaving group ability is the stability control of free carbanions according to the s character determined by the backbone structure. We anticipate that this approach may provide new insight into selective chemical formation, including hydrodehalogenation.

  • The new class of green material: Two-dimensional electride [Ca2N]+·e-
    Speaker
    Yeji Kim
    Sungkyunkwan University
    South Korea
    Biography

    Ye Ji Kim got her Bachelor’s degree in Chemistry from Kyungsung University in 2013. Since 2013, she joined prof. Sung Wng Kim’s group of Sungkyunkwan University as post-graduate student. Her research interest include chemical application of inorganic electride, single electron transfer reaction, hydrogen evolution reaction and nano-particle fabrication. Prof. Sung Wng Kim’s group’s research interests mainly focus on the development of inorganic electrides and its chemical and physical applications, thermoelectrics and transition metal dichalcogenide. Prof. Sung Wng Kim has published about 100 SCI papers in leading of journals of natural science, such as Science, Nature , Nature serious journals, JACS, Adv. Mater., Nano letters.

    Abstract

    Electrides, which are ionic crystals trapping anionic electrons in the structural cavities, have attracted attention due to their exotic properties such as a low work function. The first crystalline organic electride was synthesized from solvated electron, alkali metal-ammonia solutions, by James L. Dye in 1983. The temperature instability of organic electride have been solved by the discovery of room temperature stable inorganic electrides [Ca24Al28O64]4+?4e-)] and [Ca2N]+·e-. The [Ca2N]+·e- electride showed the delocalized anionic electrons within the interlayer spacing of ~0.4 nm, showing the low work function value of 2.6 eV with the electron concentration of~1.37 x1022 cm-3, which are comparable to typical alkali metals. Due to low work function and high electron concentration, an outstanding performance in organic chemical synthesis such as with high electron transfer ability has been anticipated. Charge transfer in and out of inorganic/organic materials from and to counterpart materials is a key issue to promote the chemical reactions. In the organic chemistry, there are important intermediates that are generated by charged transfer; carbanion or radical. To produce the radical or carbanion intermediates, single electron transfer agents or photo catalysts such as samarium iodide, iridium complex and cadmium alloys was generally utilized. However, the usage of transition metals and rare-earth metals which has the toxicity for human bodies and environmentally harmful residual products. In view of sustainable green chemistry, the electride which consisted of earth abundant elements (calcium and nitrogen) utilized reaction system could be the promising solution. In this talk, several inorganic electride utilized organic reactions, pinacol coupling reactions, trifluoromethylations, transfer-hydrogenations and hydrodehalogenations, will be introduced as a new strategy for organic synthetic chemistry.

  • Phytoremediation of heavy metal-polluted aquatic ecosystem (Ologe Lagoon) by water hyacinth (Eichhornia crassipes [mart.] solms) and the socio-ecological implications
    Speaker
    Isreal Ugochukwu Oshiojum
    Lagos State University
    Nigeria
    Biography

    Isreal Ugochukwu Oshiojum is currently working in Department of Fisheries at Lagos State University, Nigeria. He is an expert with specialization in Aquaculture and Ecology.

    Abstract

    The indiscriminate discharge of industrial effluents containing harmful substances such as heavy metals has become a global problem because of the negative effects of these substances on humans. Water hyacinth (Eichhornia crassipes) has been considered a menace since it entered Nigerian inland waters through neighbouring Republic of Benin in the 80’s. Attempts to eradicate it has not been successful. Thus, there is a need to explore its useful potentials. It is used in paper production, feed formulation, phytoremediation, etc. Phytoremediation is a bioremediation process that uses plants to remove, transfer, stabilize, and/or destroy pollutants in the soil and water. This study investigated the ability of water hyacinth in passive phytoremediation of heavy-metal polluted aquatic ecosystems and the socio-ecological effects of the plant’s invasiveness. The study was conducted over a period of 18 months (July, 2013 – December, 2014) and 5 sampling stations (Owo River, Agbara, Otto Jetty, Morogbo and Etegbin) were chosen based on proximity to points of discharge of effluents, presence of water hyacinth and human activities. The metals investigated are Cu, Zn, Pb, Fe, Cd and As. The result showed that water hyacinth absorbs heavy metals from its environment and the rate of absorption depends on concentration of the metal. It was also discovered that the presence of water hyacinth and illegal sand-mining has adversely affected the delivery of ecosystem services such as fisheries, tourism, etc. The consequences of these unregulated anthropogenic actions cause loss in biodiversity, food insecurity and ultimately threat human lives.

  • Reusable cobalt-phthalocyanine in water: Efficient catalytic aerobic oxidative coupling of thiols to synthesize organosulfur compounds
    Speaker
    Bingxin Yuan
    Zhengzhou University
    China
    Biography

    Bingxin Yuan, PhD is an Assistant Professor of College of Chemistry and Molecular Engineering in Zhegnzhou University since 2016. She pursued her PhD degree in organic Chemistry in USA and graduated in Aug, 2016. She started working in Zhengzhou University ever since. She has her expertise in novel organic synthesis and organic semiconducting materials synthesis and characterization. Her work aim to address the challenges of organic synthesis in a greener way: design and study of green catalysis with unique chemical properties. Her main research fields contain the radical and oxidative reaction as novel synthetic tools that are nonhazardous and environmentally friendly for manufacture of chemicals.

    Abstract

    Statement of the Problem: Organosulfur compounds have been vitally applied as synthetic intermediates and reagents in organic synthesis, pharmaceutical and biological science. Nevertheless, the shortcomings of traditional methods are apparent, including toxic organic waste, harsh reaction conditions (such as high temperature, long reaction hours, and risk of over-oxidation), extra additives or bases, and tedious work-up procedures. Therefore, the development of novel and green strategies that can be carried out under mild conditions for the synthesis of organosulfur compounds remains a challenge and is highly desired. In this contribution, we describe the catalytic aerobic oxidation of thiols to synthesize disulfides, sulfonamides and diaryl sulfides. A reusable cobalt-e catalyzed aerobic oxidative coupling of thiols to produce disulfides and sulfonamides in water was studied, which utilizes environmentally friendly and naturally abundant O2 as the oxidant. Findings: The mother liquor could be recycled up to 20 times with negligible loss of activity and only a minor decrease of product yield. The same catalytic system was further extended to oxidative cross-coupling of naphthol/naphthylamine with thiols to form diaryl sulfides bearing a wide range of substituents in good to excellent yields. Conclusion & Significance: These highly efficient and versatile methodologies offer interesting prospects for the commercial manufacturing of organosulfur compounds in a much greener and economical way.

  • Removal of a tar analogue from synthetic fuel gas using a non-thermal plasma dielectric barrier discharge reactor
    Speaker
    Faisal Saleem
    Newcastle University
    United Kingdom
    Biography

    NA

    Abstract

    Cleaning of product gas from biomass gasification is one of the major challenges for the application of biomass as a renewable energy source for power generation and value-added chemical synthesis. Non-thermal plasmas are a novel alternative technology for decomposing the tar compounds. In this research, a dielectric barrier discharge (DBD) reactor was used to decompose toluene (a tar surrogate) and its performance was investigated under different reaction conditions. The effect of parameters including residence time, plasma power, and temperature, were investigated. It was demonstrated that the percentage removal of tar increased with increasing plasma power and residence time. 99%+ removal of toluene was observed at a plasma power of 40 W (the highest power used) and a residence time of 4.23 s (the highest residence time used). The toluene decomposition products include CO, lighter hydrocarbons, and solid residue. At ambient temperature, the maximum selectivity of gaseous products, CO and LHC (C1-C5), reached 45% and 27% respectively. Unfortunately, there was also substantial solid residue formation (28%-33%). The synergetic effect of temperature and plasma was investigated to decrease the selectivity to the residue. It was found that solid residue completely disappeared at 400oC and selectivity to lower hydrocarbons increased with operating temperature. However, the selectivity to CO decreased, due to the termination of radicals through the combination of CO and O at higher temperatures. Overall, this work demonstrates that toluene can be almost completely converted by a DBD non-thermal plasma, and that a degree of control can be established by varying power, residence time and temperature.

  • Design and elaboration of MV2O6 nanomaterial with different synthesis methods: Impact on structure and catalytic properties
    Speaker
    Khallouk Khadija
    Université de Montpelier
    France
    Biography

    Khallouk Khadija is a student Researcher in Catalysis Materials and Environment Laboratory (LCME) FES, Morocco. After two years of preparatory classes at the Reda Slaoui High School in Agadir, Morocco, she joined the National School of Applied Sciences in Agadir in September 2010. In 2013, she supported a research paper entitled: Critical study of the flocculation system, optimization and adaptation flocculant to the different qualities to be treated and sizing of a new flocculant preparation station at OCP Khouribga, Morocco. She is currently preparing a thesis on the catalytic transformation of biomass by vanadate oxide to produce furans at the National Institute of Agricultural Research (INRA) Montepellier/France.

    Abstract

    Transition metal oxides (TMOs) constitute one of the most interesting classes of solids, exhibiting a variety of structures and properties, they are known for their chemical stability, applications in optoelectronics, semiconducting or insulating character and in some cases for their magnetic properties. As compared to single phase TMOs, mixed metal oxides provide enhanced electrical conductivity, and mechanical stability. Double metal oxides of vanadium have shown encouraging results as mixed metal vanadate, they are one of the most important families of nanomaterials with various interesting properties such as optical, catalytic, magnetic, Li battery material and electrochemical supercapacitance. In this work various synthesis methods are used to design and elaborate MV2O6 nanomaterials; coprecipitation, combustion and gelation by biopolymers. The different synthesized MV2O6 nanomaterials were characterized using different methods (XRD, transmission electron microscopy, FTIR, Raman, BET, scanning electron microscope), the objective is to evaluate and to study the effect of different synthesis methods on the physical, morphological, magnetic and catalytic properties of synthesized MV2O6. Differences in crystallinity, surface area, particle size and magnetic parameters of MV2O6 NPs synthesized by different methods were observed and discussed

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