Scientific Program

Day 1

KEYNOTE SPEAKERS
  • Miniaturisation for the analysis of cannabinoids

    University of Bologna at Bologna, Department of Pharmacy & Biotechnology
    Italy
    Biography

    Laura Mercolini is Associate Professor of Medicinal Chemistry at Alma Mater Studiorum - University of Bologna (Bologna, Italy) and Head of the research group of Pharmaco-Toxicological Analysis (PTA Lab) at the Department of Pharmacy and Biotechnology. Her research is embodied in more than 80 peer-reviewed papers and more than 200 communications to national and international congresses, including plenary lectures. She has been serving as an editorial board member of reputed Journals and as a guest editor of successful special issues. Her research activity is focused on the development of innovative strategies for the analysis of psychotropic compounds in biological and non-biological matrices and with the implementation of advanced technologies for sampling, sample handling and pretreatment, with high degree of miniaturisation and automation.

    Abstract

    The definition of Cannabis intoxication states currently represents a complex bioanalytical challenge. It can be reliably demonstrated by using blood as the biological matrix, but its sampling is invasive and requires a sanitary environment, storage precautions and complex handling. For this reason, the use of miniaturised sampling approaches can be a promising alternative: blood microsamples obviously reflect the composition of classic in-tube whole blood, but their sampling is much faster, less complex and less invasive. Moreover, when dried, blood samples can be stored and shipped at room temperature without any appreciable analyte loss. Dried blood spot (DBS) technology has been used within the bioanalytical framework in place of plasma or serum to facilitate home-based and on-field applications, however its implementation has been limited mainly by concerns related to haematocrit effect and method accuracy. Second generation miniaturised sampling technologies, based dried and microfluidic systems, have been developed in order to eliminate haematocrit effect and accuracy bias, while still granting feasible and reliable sample processing. In this research, novel blood microsampling and microfluidic approaches have been developed and compared in order to study their potential for cannabinoid analysis. An original LC-MS/MS method was developed and validated for the analysis of ?9-tetrahydrocannabinol (THC) and its two main metabolites in whole blood dried microsamples. THC hematic levels decrease drastically after Cannabis consumption, being metabolised to 11-hydroxy-?9-tetrahydrocannabinol (THC-OH) that is in turn quickly metabolised to 11-nor-9-carboxy-?9-tetrahydrocannabinol (THC-COOH), with a very long half-life. The ultimate goal is to provide highly innovative blood miniaturised analytical protocols, whose performances have been extensively optimised and compared, in order to provide effective and alternative tools that can be applied for cannabinoid determination, with immediate applicability in all the contexts where out-of-the-lab collection and impromptu processing are needed, i.e. clinical settings and forensic cases.

  • Shedding light on fibre-type Cannabis sativa L. (hemp): chemistry, analysis and biological activity

    University of Modena and Reggio Emilia, Italy
    Italy
    Biography

    Dr. Federica Pellati graduated cum laude in 2000 in Pharmaceutical Chemistry and Technology at the Faculty of Pharmacy of the University of Modena and Reggio Emilia. In 2004 she got a PhD degree in Pharmaceutical Sciences. Then she had a post-doctoral fellowship position in Medicinal Chemistry and in 2006 she got a position of Assistant Professor in Medicinal Chemistry at the University of Modena and Reggio Emilia. In 2014, she got the Italian Professorship Qualification (ASN 2012) as an Associate Professor in Medicinal Chemistry. The research activity of Dr. Pellati is focused on the development of innovative techniques for the extraction and analysis of bioactive natural products, and on the isolation of new bioactive compounds of natural origin. She has a number of national and international research collaborations and she participates to peer-reviewed research projects. Dr. Pellati is the author of more than 60 papers in ISI indexed international journals, n. 3 book chapters, n. 4 proceedings in international journals, n. 2 patents and more than 90 congress communications (oral and poster).

    Abstract

    Fibre-type Cannabis sativa L. (commonly known as industrial hemp or hemp) is gaining a renewed interest nowadays, thanks to the biological relevance of its terpenophenolic constituents, namely the cannabinoids. The main cannabinoids present in hemp are cannabidiolic acid (CBDA) and cannabigerolic acid (CBGA), followed by their neutral counterpart cannabidiol (CBD) and cannabigerol (CBG), while the content in the psychoactive tetrahydrocannabinol (?9-THC) should be below the legal limit of 0.2%. From a pharmaceutical point of view, CBD represents the most interesting compound, possessing both anti-oxidant and anti-inflammatory activities as well as neuroprotective, anxiolytic and anticonvulsant properties. For what concerns the other phenolic compounds present in hemp, several flavonoids have been identified, belonging mainly to flavones and dihydrostilbenoids. In particular, cannflavin A and B represent hemp-specific methylated isoprenoid flavones. Terpenes represent the largest group of hemp components and they are responsible for its aromatic properties. In the light of this, the present work was aimed at the development of new and reliable methods for the extraction and multi-component analysis of the bioactive compounds in hemp inflorescences belonging to different chemotypes, in order to identify those with a high content of bioactive compounds and to test their potential modulation of cancer viability. In particular, the profiling of cannabinoids in ethanolic extracts obtained by dynamic maceration was carried out by means of a HPLC-UV/DAD, ESI-MS and MS2 method, together with a selective extraction procedure. A new RP-HPLC-UV/DAD, ESI-MS and MS2 method, together with an optimized extraction, was developed as well and applied for the determination of flavones. The study on Cannabis volatile compounds was performed by developing a new method based on HS-SPME coupled with GC-MS and GC-FID. As regards the biological activity, the ethanolic extracts from selected hemp varieties, including a CBD-type, a CBG-type and a hybrid of these two varieties, were tested for their growth inhibition activity against different human cancer cell lines, including the human chronic myelogenous leukemia cells (K562), the human colorectal adenocarcinoma cells (HT29) and the human glioblastoma cells (U87MG). Purified cannabinoids were tested in parallel. The results indicated that the CBD-type hemp extract exerts the most potent pharmacological activity, both in a dose and time dependent manner. Besides, the data indicated that the K562 were the most sensitive cells to the effect of the extract. Indeed, the IC50 obtained in the HT29, K562, and U87MG were 36.45, 10.03 and 51.69 ?g/mL, respectively. The effect obtained by the CBD-type hemp extract on K562 was mainly due to the induction of apoptosis. This work reinforces the idea that hemp crude extract could be a useful product to be further investigated against cancer cell proliferation.

  • Inorganic hydrides for energy storage as hydrogen or as battery materials

    Aarhus University
    Denmark
    Biography

    Torben R. Jensen received a Ph.D. degree in materials chemistry at University of Southern Denmark, Odense in 1999. He was awarded a Steno research stipend (2002) and a Carlsberg research stipend form the Carlsberg Foundation in 2005, a doctor of science degree (D.Sc.) in 2014 and was awarded the Hydrogen Energy Award in Japan 2016. Torben became Professor of Inorganic Chemistry 2016 at Department of Chemistry and the interdisciplinary nanoscience center (iNANO) at Aarhus University. His research interests are focused on synthesis, structural, physical and chemical properties of new inorganic materials, mainly as ‘energy materials’ with utilizations for novel batteries or for solid state hydrogen storage. He is a frequent user of synchrotron X-ray and neutron radiation for materials characterization and has developed new sample environments for investigation of solid gas reactions (>266 publications, +8900 citations, and H=50).

    Abstract

    A wide variety of complex metal borohydrides, closo-borates and carborates have been discovered and characterized during the past decade, revealing an extremely rich chemistry including fascinating structural flexibility and a wide range of compositions and physical properties [1-3]. New classes of boron based electrolytes for batteries have recently been discovered along with high hydrogen density materials relevant for hydrogen storage [4-6]. Here we present new design criteria of functional electrolytes developed by analysis of the underlying phenomena responsible for the high ion conductivity. This is both useful for mono- and divalent cations including Mg2+ [7]. Structural dynamics in the solid state, i.e. entropy effects, are of extreme importance for ionic conductivity [4,5]. Disorder of high temperature polymorphs often lead to increased dynamics. The structure of high temperature polymorphs can be stabilized to lower temperatures by anion substitution [5]. Disorder in the solid state can also be created by stabilization of eutectic molten states by nano-structuring. Neutral molecules and a 3D network of dihydrogen bonds may increase the coordination flexibility and thereby increase cation mobility [7]. We conclude that the chemistry of boronhydrides is very divers, towards rational design of multi-functional materials, including new ion-conductors for batteries and hydrogen storage materials.

  • From a thrown-away notion of Schrödinger’s, lessons on our ontological status, and an awareness of H. salinarum’s ‘photon diet’ which bears significantly on the energy crisis

    Century College
    USA
    Biography

    Conal Boyce received his Ph.D. in Chinese language and literature from Harvard in 1975. He turned to chemistry in 2003. He has published in Foundations of Chemistry and in Hyle (‘Mendeleev’s elemental ontology and its philosophical renditions in German and English’ 2019) and Chemistry Educator (‘Using ground-level microstates to assess competing versions of Group 3 constituency and felement representation’ forthcoming). An invited paper was presented at the International Society for the Philosophy of Chemistry [ISPC] Conference in Boca Raton, Florida (2016). Invited paper (‘Unsung hero of the electrochemical cell — the wave front traveling near c’) presented at the Biennial Conference on Chemical Education [BCCE], Grand Valley State University, Michigan (2014). Books published: The Chemistry Redemption (2010); Chinese As It Is: A 3D Sound Atlas (2010); A Calculus Oasis on the sands of trigonometry, with 86 illustrations by the author (2013).

    Abstract

    Why is the atom so small? Schrödinger (in What Is Life?) turns that question on its head to ask: Why are we so huge? It was potentially a pivotal moment in the Annals of Thought. But he soon cast aside the idea, as he apologized for being a ‘naïve physicist’ and promised to think — for the remainder of the book — ‘like a biologist’ instead. Here I retrieve his idea from the trash, as it were, and extend it from the atomic and macroscopic scales to the cosmic. With the three corresponding time scales added to the picture, one understands that we are too fabulously large and embarrassingly slow to rate even as coherent entities, much less as life-forms, from the perspective of the atom, where the business of the universe is carried out. Thus, a new kind of ontological worry for the professional philosopher to ponder. In Part 2, I explore the contrast between [a] organisms deemed simple that take sustenance at the photon level and [b] those deemed higher but which have lost the knack of ‘eating light’. As an instance of [a], I cite certain Archaea such as H. salinarum which drives its metabolism via bacteriorhodopsin which harvests photons via 11cisretinal. For an example of [b], I propose a look in the mirror. There we find a species who walks the earth with some 20 quadrillion of those selfsame rhodopsin mechanisms packed into one’s cranium while employing not a single one for its original purpose (rather, for discriminating oystershell from ivorywhite). Is there no way to recover from this evolutionary wrong turn? If we could reawaken the ‘photoneating’ capability of our own rhodopsin, we would not only have another tool for addressing the energy crisis, but could feel better about our dubious ontological status relative to the atom.

  • Amazonian Bioprospection and Biotechnology: phytochemistry-plant cell culture-endophytic fungus, all together to achieve active substances

    Federal University of Sao Paulo
    Brazil
    Abstract

    In the present work I will show the main results obtained by my research group trying to find out active molecules from the Amazonian region. From our bioprospection program, we choose several plants which were fractionated and the active substances were isolated. Then our research moves on to try to produce them in higher amount by in vitro plant cell cultures and also by endophytic fungus production. But for our surprise, they produce other substances, and two of them with a pharmaceutical use. One specific plant species was phytochemically studied, when we isolate several indole alkaloids and triterpenes actives. Then the plant was established in vitro, where callus was produced and we performed several assays with elicitors to induce secondary metabolites production. Also, one endophytic fungus obtained from this plant was cultivated and another active alkaloid was isolated. And we studied the proteomic expression of leaves, stems and callus, compare them and we found out they were able to produce the alkaloid enzymes. In this lecture I will discuss all these results.

  • Porphyrins and biomolecules: a long-lasting frinedship

    University of Catania
    Italy
    Biography

    Prof. Alessandro D’Urso is associate professor at Chemical Science Department of University of Catania. His research activity is mainly focused on Interactions of water-soluble porphyrinoids with biomolecules, as inhibitors of proteasome and as chiroptical reporters of nucleic acids conformations. He got the PhD in Chemistry in 2010 at University of Catania under the supervision of Prof. Roberto Purrello. In 2009 he was a visiting scholar at the University of Wyoming (Supervisor: Prof. Milan Balaz) working on chiroptical sensors for Z-DNA. In 2010 he was invited as a research assistant at the Chemistry Department of Doane College (Prof. Andrea Holmes). Then in 2012 he has been a Postdoctoral Research Scientist at Columbia University, Chemistry Department in the lab. of Prof. Koji Nakanishi and Prof. Nina Berova working on “stereochemical studies on the interactions between metalloporphyrin sensors and DNA oligonucleotides. In 2012 he got national grant FIRB 2012 as principal investigator, with the project ”Spectroscopic and Structural Characterization of Proteasoma Inhibitors”. He has been awarded with: 1) “SPP/JPP Young Investigator Award 2016” and 2) “Best Poster Award at 14th International Conference on Chiroptical Spectroscopy 2013 in Nashville, USA”. In 2010 he was selected as one of 45 runners-up of the Reaxy PhD Prize on over 300 applications and from 2012 he belong to the Guidance team of the Reaxy Club. In 2013 he joined a board of directors of Young Group of Società Chimica Italiana as vicecoordinator, representing the division of Chemistry of Biological Systems. He is author of over 50 papers published in international peer-reviewed journals and he counts more than 800 citation (h-index = 16).

    Abstract

    Porphyrins are quite versatile molecules successfully used in many fields: from nanotechnology to biomedicine. These hetero-aromatic macrocycles present remarkable electronic properties which bring to attractive spectroscopic features. The non-covalent interactions of water-soluble achiral porphyrins with chiral templates have been exploited to detect and/or amplify the matrix handedness. The interaction of achiral cationic porphyrins with DNA has been extensively studied and utilized as reporters of different sequences of DNA bases. We have reported that a cationic Zn(II)porphyrin (ZnT4) and an anionic Ni(II)porphyrin (NiTPPS) were able to spectroscopically detect the left-handed Z-DNA under highly competitive conditions. Moreover, thanks to its peculiar properties, NiTPPS/Spermine/Z-DNA complex shows to be quite a versatile system. In fact, as response to pH perturbations, it is able to reversibly release the chiral information stored in the porphyrin and/or in the DNA helix portion of the supramolecular complex. Finally, using pH and temperature as input and porphyrin ICD as output, our system behaves as a reversible AND logic gate. To improve the efficiency of our probe we have designed porphyrin spermine derivative able to induce, detect and stabilize the Z form of DNA. Even we have exploited the stabilizing ability of spermine porphyrin, with G-quadruplex structures, obtaining some interesting results. Recently we investigated the potency of porphyrins as inhibitor and modulator of proteasome, which is the protein involved in many biological processes. The inhibition of proteasome is promising strategy to cure of tumors.

  • Analytical characterization of polyphenols and antioxidant activity of Vaccinium myrtillus L. and Prunus avium L. fruit

    University of Modena and Reggio Emilia, Italy
    Italy
    Abstract

    Anthocyanins are a class of natural compounds well distributed in the plant kingdom. These polyphenols are indeed present in various flowers and fruits, in particular in the red-violet ones. Both Vaccinium myrtillus L. (bilberry) and Prunus avium L. (sweet cherry) fruits represent a valuable source of these bioactive compounds. Nowadays, anthocyanins are gaining an increasing attention for their biological activities, the most interesting one being their high antioxidant property. In this view, the development of efficient analytical methods for their characterization, together with the establishment of suitable extraction procedures, are crucial features in order to highlight the great nutraceutical potential of both bilberry and sweet cherry fruit extracts. In the light of all the above, the aim of the present study was the development of a new analytical methods for the comprehensive analysis of polyphenols in bilberry and sweet cherry fruits. In particular, RP-HPLC-UV/DAD and HPLC-ESI-MS2 methods were successfully optimized and applied to different bilberry and sweet cherry fruit samples for their chemical characterization. As for anthocyanins, fourteen compounds, including 3-O-glucosides, galactosides and arabinosides of the anthocyanidins delphinidin, cyanidin, petunidin, peonidin and malvidin, were identified in bilberry fruits. For what concerns sweet cherry, four anthocyanins were detected the fruit extracts, with cyanidin-3-O-rutinoside being the most abundant one, followed by cyanidin-3-O glucoside and the 3-O-ruitnosides of peonidin and pelargonidin. The extracts obtained from these fruits were submitted to in vivo antioxidant assays by using the Caenorhabditis elegans model to test their capacity to increase the worm resistance to oxidative and thermal stress, in collaboration with the research group of Prof. Celestino Santos-Buelga of the Faculty of Pharmacy of the University of Salamanca (Spain). Both bilberry and sweet cherry extracts highly rich in anthocyanins were able to exert their anti-oxidant activity at a concentration of 5 ?g/mL. The bilberry extract was found to possess a protective effect in the worms, since it induced a slight increase in their resistance against stress in both young and older worms. Sweet cherry anthocyanin extract was able to improve worm resistance against thermally-induced oxidative stress, especially in young nematodes. Overall, this study highlights the great potential of red fruit extracts in the prevention of pathologies related to oxidative stress.

  • Biomedical IR Spectroscopy: Quo Vadis?

    Izmir University of Economics
    Turkey
    Biography

    Asst. Prof. Dr. Günnur Güler works in Biomedical Engineering, Izmir University of Economics, Turkey. Her research interests are mainly focused on biomedical spectroscopy, biomedical optics, cellular and molecular biophysics, biomolecular interactions, drug studies, nanobio, proteins, cell membrane fluidity, enzyme reactions, docking simulations as well as chemometrics. She got her BSc in Physics from Izmir Institute of Technology in Turkey, and got her Master and PhD degrees from the Institute of Biophysics Frankfurt Goethe University in Germany where she received a grant from German Research Foundation. Upon receiving a repatriation grant from TUBITAK-2232 (Scientific and Technological Research Council of Turkey) she worked as a postdoctoral researcher (2015-2017) at Ege University. She also worked as a lecturer (2017-2019) at Izmir Institute of Technology. She scientifically visited to Switzerland (Swiss Institute of Bioinformatics), Germany (Frankfurt Max-Planck Institute of Biophysics) and Belgium (Université Libre de Bruxelles) where she gained further computational and experimental experiences. She also organized a couple of international conferences/workshops in Turkey. She is a member of epiSTEM Turkey Association (volunteer academic community) and Turkish Biophysics Association.

    Abstract

    In the last decades, spectroscopic methods have been intensively used in medical analysis, drug research and even diagnosis. Biomolecular spectroscopy that covers mostly optical/vibrational spectroscopic techniques has been frequently used to image, to detect and to analyze the biological samples. Particularly, Fourier transform infrared (IR) spectroscopy, or briefly IR spectroscopy, provides rapid information about life sciences from biomedical materials including biomolecules, metabolites, sub-cellular structures, cells, tissues and even body fluids. In the current talk, I will address about our medical analysis and pharmaceutical studies in vitro by using IR spectroscopy combined with multivariate statistical analysis (PCA, HCA, PLS-DA). Our recent applications involve deciphering of cancer biomarkers, discrimination among cancer stem cells, cancer cells and healthy cells, determination of drug-action mechanisms, tracking of therapeutic effects and cellular events (apoptosis etc.). As a result of our studies, we found that the IR technique was capable of detecting fingerprint-like signatures of lipidemic, proteomic, metabolic and genomic alterations in biological samples. IR spectroscopy is a time-saving and non-destructive technique and requires also low setup and running cost. Thus, it can be applied as ‘rejuvenated’ technique for molecular and chemical characterization of cells/tissues/biosamples in the field of molecular medicine, and thus, it should be further developed for label-free screening of biomarkers from human body fluids (blood, urine etc.) in early clinical diagnosis. At this point, future perspectives along the way to translation of research results into clinical practice are also the subject of this talk.

  • Newer developments in the microwave-assited synthesis of potentially biologically active organophosphorus compounds

    Budapest University of Technology and Economics
    Hungary
    Biography

    György Keglevich graduated from the Technical University of Budapest in 1981 as a chemical engineer. He got “Doctor of Chemical Science” degree in 1994, in the subject of organophosphorus-chemistry. He has been the Head of the Department of Organic Chemistry and Technology since 1999. Within organophosphorus chemistry, his major field embraces a P-heterocycles involving selective syntheses, as well as bioactive and industrial aspects. He also deals with environmentally friendly chemistry involving MW chemistry, its theoretical aspects, phase transfer catalysis, the development of new chiral catalysts, and the use of ionic liquids. He is the author or co-author of ca. 550 papers (the majority of which appeared in international journals) including ca. 70 review articles and 40 book chapters. He is, among others, the member of the Editorial Board of Molecules, Heteroatom Chemistry and Phosphorus, Sulfur and Silicon, and the Related Elements, and Current Microwave Chemistry. He is the Editor-in-Chief for Current Organic Chemistry and Current Green Chemistry, the co-Editor-in-Chief for Current Catalysis, Associate Editor for Current Organic Synthesis and Letters in Drug Design and Discovery, and Regional Editor for Letters in Organic Chemistry.

    Abstract

    Co-authors: Réka Henyecz, Nóra Zs. Kiss, Zita Rádai, Anna Tripolszky, Nikoletta Harsági, Petra R. Varga, Alajos Grün The microwave (MW) technique has become an important tool in organophosphorus chemistry. In this paper, the advantages of MWs in different catalytic reactions are surveyed allowing green chemical accomplishments. The first case is, when the MW-assisted direct esterification of phosphinic acids and phosphonic acids becomes more efficient in the presence of an ionic liquid catalyst. The second instance is, when catalytic reactions, such as the phase transfer catalyzed (PTC) O-alkylation of phosphonic acids are promoted further by MW irradiation. It is also an option that MWs may substitute catalysts, such as in the Kabachnik–Fields condensations of amines, aldehydes and >P(O)H reagents. Another valuable finding of ours is that in the Hirao P–C coupling of 3P(O)H reagents and bromoarenes applying Pd(OAc)2 as the catalyst, the slight excess of the >P(O)H species in its tautomeric >POH form may substitute the usual P-ligands. Pd- and Ni-catalyzed cases exploring the mechanisms will be shown. The Pudovik reaction and the synthesis of dronic acid derivtives as medicines will also be discussed. It is also the purpose of this paper to elucidate the scope and limitations of the MW tool. Supports from National Research Development and Innovation Office in the frame of FIEK_16-1-2016-0007 and BME FIKP-BIO by the Ministry of Human Capacities of Hungary are acknowledged.

  • Compounds with dual activity: serotonin transporter inhibitor (SERT) and serotonin 5-HT2C receptor antagonist properties for the treatment of depression

    Budapest University of Technology and Economics
    Hungary
    Biography

    Bölcskei H has completed her MSc study as a chemical engineer from University of Technology, Budapest, Hungary. She received her PhD in 1979 at the same university, and her scientific degree “candidate of sciences” in 1988 from the Hungarian Academy of Sciences. Between 1973-2013 she worked as a researcher at the Hungarian pharmaceutical company Gedeon Richter Plc. Since 2009 she has been working as the associate professor of University of Technology and Economics, Budapest, Hungary. Her main research interest: alkaloid chemistry, organic chemistry, medicinal chemistry. She has over 60 publications that have been cited over 200 times.

    Abstract

    Depression is a common mental disease, which affects 6-7% of the population. Major depressive disorder is treated by talk therapy or medication, usually by antidepressants which are either serotonin selective reuptake inhibitors (SSRI) like fluoxetine and paroxetine, or by serotonin and norepinephrine reuptake inhibitors (SNRI) like duloxetine and venlafaxine. Because of the well-known slow onset and side effects of the antidepressants, there is an unmet medical need for further efficient drugs with more advantageous side effect profiles. Some antidepressants, (e.g. trazodone, nefazodone, mianserin, mirtazapine) act both as SERT inhibitors and 5-HT2C antagonists. The suggestion arose that the compounds with dual activities might be advantageous. The design and synthesis of dually active compounds are more difficult processes than the design and synthesis of selective inhibitors. Éliás and coworkers developed various types of hybrid compounds with serotonin transporter inhibitor (SERT) and serotonin 5-HT2C receptor antagonist activities [O.Éliás et al. Bioorg. Med. Chem. Lett.24, 2118 (2014), ibid 26, 914 (2016)]. We have synthesized a compound family with substituted phenoxy-benzylamine moieties. Our novel compounds showed excellent rSERT Ki and r5-HT2C Ki values and advantageous physico-chemical properties (clogP, solubility). A few structure-activity relationships (SAR) have also been established.

  • Complexity of the endocannabinoid system, and challenge of developing selective drugs to target its distinct elements

    Campus Bio-Medico University of Rome
    Italy
    Biography

    Mauro Maccarrone, Dr. Enzymology and Bio-Organic Chemistry, is Professor and Chair of Biochemistry and Molecular Biology, and Co-ordinator of the Bachelor’s Degree in Food Science and Human Nutrition at the School of Medicine, Campus Bio-Medico University of Rome. He is the Director of the Laboratory of Lipid Neurochemistry at the European Center for Brain Research (CERC)/IRCCS Santa Lucia Foundation, Rome, Italy. He was awarded the “4th Royan International Research Award for Reproductive Biomedicine”, the “2007 IACM Award for Basic Research” and the “2016 Mechoulam Award”, and has been Chair of the 2015 Gordon Research Conference on “Cannabinoid Function in the CNS”. He published > 485 full papers, of which 55 with I.F. ? 9 and 45 with ? 100 citations (total I.F. > 2410; citations >15180, h-index = 64 according to Scopus).

    Abstract

    Endocannabinoids (eCBs) are endogenous lipids able to activate cannabinoid receptors, the primary molecular targets of the cannabis (Cannabis sativa or Cannabis indica) active principle ?9-tetrahydrocannabinol (THC). During the last 25 years, several N-acylethanolamines and acylesters have been shown to act as eCBs, and a complex array of receptors, metabolic enzymes, (transmembrane, intracellular and extracellular) transporters, that altogether form the so-called “eCB system”, has been shown to finely tune the manifold biological activities of eCBs. It appears now urgent to develop selective drugs that allow to dissect the contribution of the distinct components of the eCB system to the overall biological activity of these compounds, thus putting in a better perspective their relevance as key-player of human health and disease conditions. A modern view of the eCBs, the eCB system and of natural or synthetic compounds able to selectively hit its various elements with very limited side effects (if any) is presented here. This information should form the basis for more rationale and effective therapeutic strategies to combat (endo)cannabinoid-related human pathologies.

  • Platinum-Based Antitumor Drugs in the Treatment of Cancer

    Central michigan university
    USA
    Biography

    James Hoeschele received his Ph.D. from Michigan State University and then took a position at Oak Ridge National Laboratory in the Transuranium Element Program. In 1970, he joined Professor Barnett Rosenberg’s research group at Michigan State University as his first Post-Doctoral Fellow (1970-1972). He then held successive positions at Engelhard Industries (1972-1976), Oak Ridge National Laboratory (1976-1983), Parke-Davis Pharmaceutical Company (1983-1992), University of Michigan (1992-1994), Michigan State University (1994-2009) and is currently an Adjunct Professor of Chemistry at Eastern Michigan University since 2010. In all of these positions, his research focused principally on the development of Pt anti-cancer drugs and, in general, on the use of precious metal complexes as medicinal agents. He played a key role in the development of Cisplatin and is a co-inventor of Carboplatin and the Triplatinum drug, BBR3464. He continues to do research relating to the use of precious metal complexes as medicinal agents.

    Abstract

    The accidental discovery (1960’s) and eventual FDA-approval of Cisplatin (1978), as an antitumor drug, is indeed a fascinating and inspiring success story. This ground-breaking discovery occurred in the laboratory of Professor Barnett Rosenberg in the Biophysics Department at Michigan State University. Extensive research on analogs of cisplatin, led to the development/approval of Carboplatin (1989) and Oxaliplatin (2004). Collectively, these three drugs are used in the treatment of 11 different tumors and it is estimated that two out of every three chemotherapeutic treatments of cancer involves a platinum-based drug. This talk will review the status of the use of Platinum-based drugs as antitumor agents and primarily focus on the new types of Platinum-based complexes that loom as potential fourth-generation agents.

  • INNOVATIVE CARBON BASED MATERIALS FOR SOLID STATE HYDROGEN STORAGE AND ENERGY STORAGE

    University of Pavia
    Italy
    Abstract

    Alkali cluster-intercalated fullerides (ACIF) consist in crystalline nanostructures in which positively charged metal clusters are ionically bond to negatively charged C60 molecules, forming charge-transfer salts. These compounds have been recently investigated with renewed interest, appearing as a novel class of materials for hydrogen storage, thanks to their proved capability to uptake reversibly high amounts of hydrogen via a complex chemisorption mechanism. In this presentation, after a short summary on the hydrogen storage topic, the synthesis, the structural investigation and the hydrogen storage properties of Li, Na and mixed Li-Na clusters intercalated fullerides belonging to the families NaxLi12-xC60 (0 ? x ? 12) and NaxLi6-xC60 (0 ? x ? 6) will be presented. By manometric and thermal analyses it has been proved that C60 covalently binds up to 5.5 wt% H2 at moderate temperature and pressure, thanks to the catalytic effect of the intercalated alkali clusters. Moreover, the destabilizing effect of Na in the co-intercalated NaxLi6-xC60 compounds leads to an improvement of the hydrogen-sorption kinetics by about 70%, linked to a decrease in the desorption enthalpy from 62 to 44 kJ/mol H2. The addition of Pt and Pd nanoparticles to Li fullerides increases up to 5.9 wt% H2 the absorption performances and of about 35 % the absorption rate. The ammonia storage properties of Li6C60 have also been investigated, resulting quite appealing. Being the price of C60 quite high for large scale practical applications, new cheaper C based materials are under examination. In particular, porous biochar from agricultural waste are giving quite interesting results as electrode materials for high-performance supercapacitors.

  • A natural cation exchanger, clinoptilolite effects on bones in an osteoporosis animal model and randomized human clinical trial

    University of Rijeka, Croatia
    Croatia
    Biography

    Associate professor Sandra Kraljevi? Paveli? is Head of the Doctoral School of the University of Rijeka. She leads or led 6 domestic and international projects, coordinated one EU project, leads the project of the Centre for Excellence for Bioprocessing of the Adriatic Sea in front of University of Rijeka, three projects with industry and one project with local administration. The scientific work of Sandra Kraljevi? Paveli? (ORCID: https://orcid.org/0000-0003-0491-673X ) covers the area of drug/medical products development and research on pathogenesis of disease mechanisms. She mentored 3 final papers, 20 graduate theses, 11 doctoral dissertations and published 108 papers (WosCC), 15 book chapters and has 2 patents (citations: 1512; h-index-20; Scopus October, 2019.).

    Abstract

    Osteoporosis has been acknowledged as a substantial burden despite available pharmacological treatments, in particular related to the occurrence of fractures in this group of patients. Herein we present data on a natural cation exchanger, clinoptilolite effects on the bones obtained in the in vivo studies in an ovariectomized rat model and a randomized double blinded placebo controlled clinical study on humans. The intervention on animals and humans is based on a defined cation exchanged zeolite-clinoptilolite PMA (Panaceo Micro Activation). The intervention improved histomorphometric parameters of bones in ovariectomized animals. In addition, PMA-zeolite-clinoptilolite intervention increased BMD (bone mineral density) values, increased bone formation markers, significantly reduced level of pain and significantly better estimated health condition in PMA-zeolite-clinoptilolite patients in comparison with control group (placebo) within the first year of intervention.

  • REAXYS: An Excellent Tool for Cracking Chemistry Problems

    Elsevier, RELX Group
    Germany
    Biography

    Kroll F obtained his PhD in Chemistry at the University of Marburg and his MBA from the University of Potsdam. He is a successful drug and technology developer. Currently he is Head of Scientific Affairs promoting information technologies in academia and in drug discovery.

    Abstract

    Medicinal Chemistry is the basis of successful drug discovery and its principal component is effective synthetic organic chemistry. It takes numerous years to become an experienced medicinal chemist who can predict the outcome of various chemical reactions correctly and provide the most efficient synthetic scheme to a pharmaceutically active and safe compound or compound library. Even then, Merck quote, more than half of the cornerstone reactions we attempt are failing (Science 02, 2015), and non-yielding synthesis steps are part of the reasons why the amount of investment into pharmaceutical research and development (R&D) is high (2016, $157 billion). The design of an effective synthesis route to a correctly substituted molecule can become a rate-limiting process and occasionally, molecules are not synthesized, because it simply takes too long to find suitable chemistries. If we want to prepare any molecule of interest quickly and with lower failure rate than today, a disruptive synthesis prediction technology will be required. In line with such a paradigm shift we will need chemists that combine excellent synthesis knowledge as well as competence in machine learning methods and artificial intelligence (AI). For the first time computer-aided retrosynthesis tools, which can predict reactions correctly, are available and do not rest on the input of rules from researchers. Waller and Segler et al. (Nature, March 2018) in collaboration with Elsevier have developed a ‘deep learning’ computer program that produces blueprints for the sequences of reactions needed to create small organic molecules, such as pharmaceutical active molecules. This novel artificial-intelligence tool has processed nearly every reaction ever published (> 15 million) and has the potential to transform the way synthetic & medicinal chemists work in the future. Segler & Waller et al. tested the synthetic routes that the program generated in a double-blind trial with 45 organic chemists from two institutes in China and Germany and the routes have proven scientifically sound and robust. Increasing the success rate in synthetic chemistry would have a huge benefit in terms of treating diseases more resourcefully, discovering more sustainable chemical solutions and minimizing expenditure in R&D. Reaxys-PAI Predictive Retrosynthesis solution, developed in collaboration between Elsevier and Waller and Segler et al., deploys next generation AI technologies to augment chemical synthesis knowledge, drives innovation and helps to save time and cost.

  • Hydrides: a compact and efficient hydrogen storage method

    Helmholtz-Zentrum Geesthacht
    Germany
    Biography

    José Bellosta von Colbe completed his PhD in 2006 from the Ruhr University Bochum. He is a senior scientist at the Helmholtz Zentrum Geesthacht, Germany, after completing a postdoc at the Institute for Energy Research in Kjeller, Norway. He has over 30 publications that have been cited over 200 times, his publication H-index is 10 and he has been serving as a reviewer for several journals in the field of hydrogen storage in hydrides, as well as expert in Tasks 30 and 32 of the International Energy Agency Hydrogen Implementation Agreement (IEA – HIA).

    Abstract

    The use of hydrogen as an energy vector has been under discussion for a long time. At present, however, due to the twin challenges of air pollution and climate change, hydrogen is considered more and more as a viable alternative to fossil fuels, as a complement to energy storage in batteries and together with renewable energy generation. Storing hydrogen is, however, a challenge in itself, since even under pressures of 700 bar or liquefied at cryogenic temperatures, it still takes up a volume several times greater than traditional liquid fuels. An alternative is the use of metal or complex hydrides, which are solid compounds or mixtures capable of storing between 1.2 and 11 % hydrogen in weight. In the best cases, the materials can store double the amount of hydrogen in the same space as liquid hydrogen. In this KeyNote Lecture, the principles, types and applications of hydrides for hydrogen storage and other applications will be shown.

Medicinal Chemistry | Drug Discovery | Biochemistry & Chemical Biology | Pharmaceutical Chemistry | Forensic & Clinical Chemistry | Neuroscience and Neurochemistry | Organic and Bio-organic Chemistry | Inorganic Chemistry | Physical & Theoretical Chemistry | Mass Spectroscopy & Chromatography
Chair
  • Allied Academies Chemistry 2020 Chair Speaker Laura Mercolini photo
    Laura Mercolini
    University of Bologna at Bologna, Department of Pharmacy & Biotechnology
    Italy

Day 2

KEYNOTE SPEAKERS
  • In situ detection of cell surface glycans

    Nanjing University
    China
    Biography

    Huangxian Ju, the director of State Key Laboratory of Analytical Chemistry for Life Science, received his B.S., M.S. and Ph.D degrees from Nanjing University in 1986, 1989 and 1992, and became a lecturer, associate professor and professor at Nanjing University in 1992, 1993 and 1999, respectively. He was a postdoctoral researcher in Montreal University (Canada) from 1996-1997. He won the National Funds for National Distinguished Young Scholars in 2003 and was selected as a Changjiang Professor by Education Ministry of China, a chief scientist of National Basic Research Program of China by MSTC in 2009, Fellows of the International Society of Electrochemistry and the Royal Society of Chemistry in 2015. The research interests of Professor Huangxian Ju include analytical biochemistry and nanobiosensing, focusing on signal amplification and life analytical chemistry. He has published 676 papers (621 papers in SCI journals, and 372 papers in journals with IF>5), and authored 23 patents, 4 English books, 5 Chinese books, 17 chapters for 9 Chinese and 8 English books, and 6 editorial, preface or book reviews. Up to Nov 10, 2019, his research works have 30008 citations in SCI journals (28710 by other authors) with an h-index of 90 (Google Scholar h-index 99 with 34402 citations).

    Abstract

    Cellular functional biomolecules have been regarded as attractive targets for biomedical research and molecular diagnostics. Our recent efforts devote to in situ analysis and highly selective detection of various cellular functional biomolecules, such as glycans, multiple glycans, protein-specific glycans and gangliosides on living cell surface, intracellular microRNA, sialyltransferase, lysosomal neuraminidase and glycosylation, telomerase and caspases. Here I will introduce our research aim, strategies and results in design of bioprobes and signal amplification strategies for in situ sensing of cell surface glycans, including one molecule-two surfaces competitive strategy, chemoselective recognition, dual-color indicator, identification of ganglioside subtypes with electrochemical, scanometric, chemiluminescent, fluorescence, and Raman spectroscopic techniques. A hierarchical coding imaging strategy, with DNA coding and decoding of protein and monosaccharides executed in fidelity to the hierarchical order of target glycoprotein, is also reported for live cell imaging of protein-specific glycoforms, which was considered as an important step in the development of a system analogous to the use of green fluorescent proteins for protein tagging.

  • Functional membranes for refinery of biowastes by green chemical processes

    National Research Council of Italy(CNR)
    Italy
    Abstract

    Biorefinery is defined as the sustainable processing of biomass into a spectrum of marketable products and energy. The biomass is any biological material derived from living organisms, such as animals and plants. Whether bio-derived feedstock based on biomass is more environmentally friend is still controversial. It is anyway clear that, in the coming decades, it will play an important role as integrative feedstock source. Drivers for this growth include, carbon emission taxation, development of fast growing plants and with limited water demand, development of low energy demanding separation processes, energy supply to remote off-grid places. Challenges for bio-derived feedstock sustainability include, suitable and efficient transformation processes (such as transesterification, esterification, hydrolysis), efficient and selective separation techniques for downstream processing, use of less energy for separation and formulation, use of clean technologies to produce co-products, process flexibility and modularity to be adapted for different products of interest, water removal, biodiesel viscosity control. Membrane-based processes best suit these requirements and can promote breakthroughs in the implementation of biorefinery. In this lecture, advances of membranes and membrane devices in terms of chemical, physical, mechanical and fluid dynamics properties will be discussed. Their use in integrated membrane operations for the sustainable processing of agro-food wastes into valuable marketable products and energy will be presented. Pressure driven membrane operations have been applied to purify water and recover enriched fractions of biophenols. These valuable components have been further processed by membrane contactors, i.e. they have been concentrated by osmotic distillation and used to formulate water-in-oil emulsions by membrane emulsification. Biocatalytic membrane reactors have been used to produce a powerful anti-inflammatory, i.e. oleuropein aglycon. The organic biomass recovered in the first steps of pre-treatment and in the microfiltration retentate was suitable for production of biogas via anaerobic digestion. The biogas can be processed by membrane operations to obtain methane suitable for the energy grid and food grade CO2.

  • The role of nanostructured catalysts for low cost and long life electrochemical energy storage systems for CO2 mitigation and integration with a potential hydrogen economy

    Imperial College London
    United Kingdom
    Abstract

    Redox flow batteries are a valuable energy storage technology for electric grid applications, because their power and energy can be sized independently. This becomes particularly important when storage times of several hours are required. They can also operate over a wide range of states of charge, which means that they impose less constraint on the electric grid in terms of the required control strategy. Work by Nigel Brandon [Strategic Assessment of the Role and Value of Energy Storage Systems in the UK Low Carbon Energy Future by Strbac, et al., Energy Futures Lab, Imperial College 2012] has shown the need for such forms of energy storage for future low carbon energy systems, and has quantified the value to the overall electricity system in terms of reduced investment and operating costs, with system savings of £10bn/year possible through the application of storage technologies for some high renewable scenarios by 2050. An EPSRC funded project led by Brandon in collaboration with China’s Dalian Institute of Chemical Physics has provided valuable data in this regard [UK research needs in grid scale energy storage technologies by Brandon, Chakrabarti, et al., SUPERGEN Hub White Paper 2017]. Therefore at the heart of this presentation is the development of improved and lower cost flow batteries for grid scale storage applications for CO2 mitigation strategies. I will discuss our role in developing novel nanostructured membrane-electrode assemblies (MEAs) to catalyse hydrogen-based flow chemistries. I am looking at harnessing waste biomass as source for such MEAs and I will show how our novelty is scalable at potentially lower cost to MW/MWh systems. Finally, I will touch upon how such systems may be integrated with a potential hydrogen economy by working in tandem with pumped hydro and compressed air energy storage systems to bring a green revolution for future generations.

  • Analytical interference of biotin

    University of Belgrade
    Serbia
    Biography

    Eva Dukai, pharmacist, medical biochemist.University of Belgrade, Faculty of Pharmacy. Working in public and hospital pharmacies. Specialisation in medical biochemistry. Thereafter working in a public laboratory ,Kanjiža, Serbia, doing determinations in haematology, biochemistry and haemostasis, also urin analysis. Interested in medical and clinical biochemistry, biology, ecology, foreign languages and translating.

    Abstract

    Biotin ,also called vitamin H is a multi-enzyme cofactor involved in gluconeogenesis, amino acid metabolism and lipid synthesis. At a balanced diet, there are rare cases of deficiency of biotin. Substitution is required from birth and life-long in the case of a congenital deficiency of enzyme biotinidase. Nowadays, the use of biotin products for cosmetic purposes is very widespread, for strengthening nails, against hairloss, and for beautifying the skin.The recommended daily dose is defined as 30 micrograms per day.Therapeutic biotin is used to slow down the demyelination process in patients with multiple sclerosis at doses of 100 to 300 milligrams per day. According to the literature data, these doses may be teratogenic. Normal serum biotin concentrations have no impact on biochemical determinations. However, in some immunochemical tests, high serum concentration analytically interfers. Reagents for the immunochemical determination of many hormones, tumor markers, cardiac markers, thyroid markers as well as in infectious serology also themselves contain biotin.Depending on the type of immunoassay (sandwich or competitive assay), the results may be either falsely reduced or falsely elevated.These are individual analytical errors,and can lead to wrong diagnosis, wrong treatment, and fatal consequences for the patient.Asking the patient whenever possible and stopping taking biotin a couple of days before the laboratory testing can avoid mistakes of this kind.

  • Protein nanoparticles: a promising carrier for cancer-targeting drug delivery

    Korea University
    South Korea
    Biography

    Jeewon Lee has completed his PhD 25 years from Illinois Institute of Technology, U.S.A. He is the professor of Korea University, Republic of Korea. He has 116 publications (including Nat. Nanotechnol., Nat. Catal., and Adv. Mater. journals) that have been cited over several hundred times, and his publication H-index is 33 and has been serving as an editorial board member of Biotechnol. Pioproc. Eng., J. Ind. & Chem. and J. Microbiol. Biotechnol. journals. Also, he is the senior vice president & board member of the Korean Society for Biotechnology and bioengineering (KISS). He has received many outstanding awards, some of them being ‘10 Most Outstanding Research Achievements 2014’, ‘Outstanding Basic Research Award 2013’, etc..

    Abstract

    Certain proteins are self-assembled to form nano-scale protein particles (protein nanoparticles/PNPs) inside cells, and each PNP has a unique 3D structure (size, shape, symmetry pattern, and surface topology). For example, 24 heavy chain isomers of human ferritin are selfassembled to form a hollow sphere (~ 12 nm) by 43-2 symmetry pattern even in Escherichia coli. A notable advantage of PNPs is that multi-copies of functional proteins/peptides (e.g. therapeutic peptides, probes to capture disease markers, cancer cell receptor-binding ligands, fluorescent proteins, recombinant peptides for chemical conjugation of synthetic drugs or metal ions, etc.) can be genetically loaded on the PNPs with preserving their native activity and structure, which allows PNPs to be used as efficient carrier for therapeutic drugs and/or imaging agents. In particular, the surface presentation of human albumin-binding peptides enables PNPs to be used as non-immunogenic and cancer-targeting drug carriers, and the superparamagnetic clusters of gold nanoparticles formed on the PNPs with cancer-targeting activity show an excellent performance in cancer theragnosis (i.e. magnetic hyperthermia-based therapy and MRIbased diagnosis of cancer). Since PNPs are spontaneously disassembled after loaded drugs are finally delivered to and activated inside cancer cells, and accordingly do not cause toxicity problems by in vivo long-term accumulation. The non-specific accumulation in various organs/tissues/cells is a typical problem of synthetic metal nanoparticles, which has been hampering their clinical translation although they hold a high potential as therapeutic or imaging agents. Here I introduce novel approaches that hold a promising potential for opening up a new route for developing a variety of PNP-based drug carriers.

  • Mitochondrially targeted compounds and its clinical potential

    Czech Academy of Sciences
    Czech Republic
    Biography

    Jan has expertise in organic chemistry and has been participating in numerous projects involving synthesis of fytoestrogens, juvenile hormons as well as the chemistry of calixarenes, carboranes and derivatization of nanodiamonds. For the last 10 years he has been mainly focusing on medicinal chemistry and especially on novel mitochondrially targeted substances with promising biological activity. He is one of the inventors of the substance MitoTam, which is undergoing Phase I clinical trial involving oncological patients. He works as a scientist in the Service technology laboratory (STL) at Institute of Biotechnology Czech Academy of Sciences. STL design and synthetize not only mitochondrially targeted substances but also offers a custom synthesis or academic collaborations. Jan is also involved in advanced technology transfer including design, documentation and management of preclinical and clinical trials.

    Abstract

    Mitochondria have been recently recognized as an emerging target for new anti-cancer drugs. Itis one of the main organelles in the cells participating in many important biochemical processes, including oxidative phosphorylation, which is crucial for the cell as a part of ATP synthesis. Mitochondria are also responsible for apoptosis by triggering the complex cell death process. A frequent approach to mitochondrial targeting is tagging the biologically active agents with lipophilic cation such as the alkyl triphenylphosponium moiety. Delocalized hydrophobic cations readily accumulate across the mitochondrial membrane due to the highly negative potential on the matrix side of the membrane. Here we will present novel mitochondrially targeted compounds developed by our team. An example is mitochondrially targeted tamoxifen (MitoTam), an inhibitor of complex I of the respiratory chain, which has recently entered Phase I clinical trial. We will present the biological properties of MitoTam including its synthesis from milligram amounts scaled up to kilogram amounts. The strategy of preclinical evaluation and its design needed for approval by the regulator prior to launching the Phase I clinical trial will also be discussed. Apart from the anti-cancer properties, MitoTam and its derivatives also selectively kill senescent cells. Cellular senescence is stress response activated in damaged cells. Inability of immune system to eliminate these senescence cells leads to development of age-related diseases, tissue damage, inflammation and enhanced carcinogenesis. Therefore, we can talk here about the repurposing of MitoTam to another clinically relevant scenario. Another field of our interest are mitochondrially targeted compounds with the ability to affectiron metabolism. Exemplified by deferoxamine derivatives, these agents feature a migrastatic and tumour suppressive properties. Synthesis and biological results of such compounds will be presented.

  • Synthesis and Testing of Mitochondria-targeted Compounds

    Czech Academy of Sciences
    Czech Republic
    Biography

    Lukas Werner has his background in medicinal and synthetic organic chemistry. He is the Head of the Service Technology Laboratory of the Institute of Biotechnology, Czech Academy of Sciences. The work of his team and coworkers concerns both medicinal chemistry and medicinal development. He has over 10 patents relating to medicinal chemistry and new medicaments worldwide. One of the drugs he has been participating in development is currently in the Phase 1 clinical trial for oncological indications. His team is specialized in design and preclinical development of mitochondriatargeted drugs with emphasis on hard-to-treat or orphan diseases.

    Abstract

    Although mitochondria have irreplaceable function in cells, their targeting for therapeutic applications is rather underexplored. As is becoming clear, the mitochondrion is not only a cellular powerhouse that synthetizes ATP, but also produces a number of biologically essential metabolites and is a relay point of a variety of signaling pathways. Many mitochondrial processes are highly conserved and/or are important for organism survival. According to the free radical theory of aging, certain types of age-related disorders belong to mitochondrial diseases. Therefore, modulation of the mitochondrial functional status might help in some pathologies related to either mitochondrial function impairment or in the treatment of diseases which rely on highly functional mitochondria. Accordingly, this presentation will focus on a class of compounds that affect mitochondrial function. It will also describe methods of mitochondria targeting and the underlying mechanism of preferential accumulation of these agents into compartments with high transmembrane potential. Several possible areas of medicinal use of such compounds will be discussed. The story of the mitochondria-targeted tamoxifen (MitoTam), which is an inhibitor of mitochondrial respiratory complex I with ensuing anti-cancer activity will illustrate that mitochondrial targeting can lead to specific application of these compounds that we refer to as mitocans (standing for mitochondria and cancer). Specific targeting of complex I with MitoTam results in generation of high level of reactive oxygen species in mitochondria, resulting in efficient elimination of cancer cells. MitoTam is currently in Phase 1 clinical trial, and the background of its discovery, synthesis, manufacturing process optimization, preclinical development and mechanism of action will be discussed as well. Furthermore, the antitumor effects of mitochondrially targeted derivatives of an iron chelator deferoxamine, which are able to disrupt iron metabolism, will be presented. These compounds pose significant migrastatic potential and are effective in suppression of experimental tumors in vivo. Moreover, an approach to inhibit mitochondrial functional status in senescent cells will be shown. Due to a secretion of pro-inflammatory cytokines, especially TNF?, IL6, IL8 and IL1? are senescent cells associated with many age related pathologies. Hence, modulation of senescence associated secretory phenotype via implementing either senolytic or senomorphic compounds might be one of the cornerstones in the longevity research. Several other molecules (MitoQ, MitoVES, IACS-010759) which either enhance or diminish mitochondrial function will be presented/mentioned in context of current knowledge.

  • Anti-cancer therapy via mitochondrial targeted iron chelators

    Czech Academy of Sciences, Czech Republic
    Czech Republic
    Biography

    Kristýna studied master degree at Department of Chemistry of Natural Compounds (UCT Prague) where she has been participating in projects specialised in carbohydrate chemistry. She has expertise in organic chemistry and for last 3 years has been mainly focusing on medicinal chemistry and especially on novel mitochondrially targeted substances with promising biological activity. She works as a scientist specialised in organic synthesis, in vitro and in vivo biological experiments in the Service technology laboratory (STL) at Institute of Biotechnology Czech Academy of Sciences. STL design and synthetize not only mitochondrially targeted substances but also offers a customsynthesis or academic collaborations.

    Abstract

    Iron is an essential micronutrient needed for the normal/proper function of cellular enzymes involved in DNA replication and repair. It is also necessary for mitochondrial respiration and metabolism. For cancer cells it is a critical nutrient as these cells have generally higher iron requirements due to their active proliferation. Iron chelation in mitochondria, via our mitochondrially targeted compounds, leads to a selective cell death induction in cancer cells. This process involves respiratory supercomplexes disassembly, generation of reactive oxygen species (ROS), reduction in the activity of FeS cluster containing enzymes and induction of mitophagy. These compounds also significantly reduce tumor growth in vivo. Here we present novel mitochondrially targeted compounds developed by our team. One of more than 10 synthetized iron-chelating derivatives is mitochondrially targeted deferoxamine (MitoDFO), an iron chelator well-known for the iron overload treatment. We now show that mitochondrial targeting of this drug substantially enhances its anti-cancer properties, inhibits migration and proliferation of cancer cells and also induces cell death. Our tests on non-malignant cells (epitomized by human fibroblast) also showed their significantly lower responsivity to the compound that indicates higher selectivity against cancer cells. We have further tested the in vitro synergy between MitoDFO, which selectively modulates iron metabolism in cancer cells, and commonly used chemotherapeutic drugs that act via other routes including microtubule stabilization (paclitaxel) and DNA-synthesis inhibition (cis- platin, doxorubicin, 5-FU). Complex synthesis and biological results of our compounds from in vitro and in vivo will be presented.

  • Condensed chiral heterocycles: stereochemistry and activity

    University of Debrecen
    Hungary
    Biography

    Tibor Kurtán, professor of chemistry, head of the Department of Organic Chemistry at the University of Debrecen. His research interests focus on the synthesis, stereochemical and chiroptical studies of O- and O,N-heterocycles and natural products with potential pharmacological activities. He developed a solid-state TDDFT-ECD method for the stereochemical analysis of natural and synthetic derivatives and established general ECD rules for the configurational assignment of heterocycles. He is author of over 170 papers and two book chapters with over 2100 independent citations. He was the recepient of several awards, including the George Oláh Award of the Hungarian Academy of Sciences.

    Abstract

    The majority (80%) of secondary metabolites are chiral and they occur as a single enantiomer containing five stereogenic elements in average. More than half of all the new approved drugs in the period 1981-2014 were derived directly or indirectly from natural products and the distribution of chiral drugs has increased from 30-40% in the 1990s to above 60% in the 2000s. In order to aid exploring the stereochemistry-activity and structure-activity relationship in natural products, the relative and absolute configuration of bioactive natural products have been determined by the combination of electronic (ECD) and vibrational circular dichroism (VCD), optical rotation (OR) and NMR measurements and quantum mechanical calculations. The potential of this approach is demonstrated on the examples of several complex natural products containing isolated blocks of stereogenic elements, e.g. both axial and central chirality or existing as stereoisomeric mixtures, which requires the combination of different approaches to differentiate more than two stereoisomers. For the efficient synthesis of molecular libraries consisting of condensed chiral O- and O,N-heterocycles with 4-6 rings, the scope of Knoevenagel-cyclization domino reactions is presented, which can afford novel complex skeletons from fairly simple starting materials in step- and atom-economic tranformations. Different mechanisms of domino sequences such as Knoevenagel-intramolecular hetero Diels-Alder (IMHDA), Knoevenagel-[1,5]-hydride shift-cyclization, Knoevenagel-[2+2] cycloaddition or Knoevenagel-Diels-Alder reactions are applied and explored to afford versatile condensed bioactive heterocycles. New multistep domino reactions are identified to increase the diversity of the compound library. Structure-activity and stereochemistry-activity relationships are studied in relation with antiproliferative, neuroprotective and protein tyrosine phosphatase 1B (PTP1B) inhibitory activity.

  • Pluronic L121 as innovative solvent for CO2 sorption under pressure

    University "G. d'Annunzio" Chieti - Pescara
    Italy
    Biography

    Guido Angelini is graduated with honors in Pharmaceutical Chemistry and Technology. He has completed his PhD in 2002 at the University “G. d’Annunzio” of Chieti-Pescara, Italy. He is researcher/assistant professor of Organic Chemistry at the Department of Pharmacy since 2006. He author and co-author of 36 publications that have been cited over 500 times, and his publication H-index is 16. He is scientific referee for high impact journals in the field of Organic Chemistry. In 2018 he was the Guest Editor for the Current Organic Chemistry Special Issue “New Supramolecular Frontiers: From Design to Innovation”. He is member of Royal Society of Chemistry since 2016.

    Abstract

    Poly(ethylene oxide)-poly(propylene oxide)-poly (ethylene oxide) triblock copolymers are high molecular weight non ionic surfactants, commercially available as Pluronic. Generally, polymeric micelles and vesicles represent highly biodegradable and biocompatible systems, involved in a large range of applications from drug delivery to nanostructured materials due to their thickness, mechanical stability, and chemical functionality. One of the most investigated Pluronic is L121 considered as an ideal copolymer for drug target because of the capability to aggregate into vesicles having strong solute retention. Recently, the critical aggregation concentration of L121 in some ionic liquids and in D2O has been spectroscopically determined (Angelini, G.; Gasbarri, C., Curr. Drug Targets 2015, 16, 1606-1611), while a dense three-dimensional network showing a viscoelastic gel-like behavior has been observed in the presence of single-walled carbon nanotubes above a critical percolation concentration (Gasbarri et al., Chem. Eur. J. 2016, 22, 546-549). The aim of this work was to determine the efficacy of L121 as solvent for carbon dioxide sorption. Successful method to capture CO2 are based on polyethylene and polypropylene glycols under high pressure as demonstrated by the spectral changes of the polymer in the liquid state before and after the gas exposure. L121 shows the CO2 typical bands in the NIR region of the spectra from 15 to 40 °C according to a linear correlation. The effect induced by temperature on the swelling degree of L121 was also investigated and compared to the data obtained by using other viscous media, as Triton X-100 and BMIM BF4 (Angelini et al. J. Mol. Liquids 2018, 258, 85-88).

  • New developments on Thermal Spray processes at CPT from Universitat de Barcelona

    University of Barcelona
    Spain
    Biography

    Dr. Sergi Dosta has expertise in Materials Science and Engineering since 2003, focused in the Thermal Spray field with nanostructured materials at Thermal Spray Centre (CPT) from the University of Barcelona (UB), becoming associate professor at UB in 2007. Dr. Dosta has published more than 85 research indexed papers, has directed 4 phD thesis and has 20 patents and industrial trade secrets. He has been responsible of 2 European projects from the H2020 and has lead over 50 industrial and research projects. Expert in Thermal Spray Technology, has been invited to give talks in prestigious conferences and workshops all over the world.

    Abstract

    This presentation will be focused on thermal spray processes that consist of a couple of techniques that are able to produce coatings for the improvement of the required properties. The basic concept of thermal spraying is to deposit a feedstock material that is propelled by a jet zone onto a substrate to grow a coating or even a freestandig part. Thermal Spray Processes are able to produce coatings with nearly any material, from metals, polymers or ceramics, on nearly any surface, because of the large variety of processes could adapt the coating technology to the technical needs of the customer and also to his economic performance. Some of the developments that will be explained are focused on biomaterials for implant osteointegration, nanocomposites for photocatalytic response, nanostructured coatings for wear and corrosion resistance, or amorphous/metastable alloys with improved properties.

  • Sarcocornia neei; Remediation case for lead (Pb) contaminated ground, from Puchuncavi: Quintero-Ventanas, Chile.

    Institute of Public Health, Chile
    Chile
    Biography

    Verónica Meza- Ramírez, Mg. Ingeniero Agrónomo, has his expertise in soils, contamination of heavy metals in soils and bioremediation techniques in soils. Strengthening capacities in communities affected by pollution

    Abstract

    A Phytoremediation process has been done for lead metal (Pb), for 31 days in lab conditions, over contaminated soil from the commune of Puchuncavi, and previously propagated plants extracted in Yali wetland, RAMSAR 878 site, both locations from the region of Valparaíso. The purpose was to analyze the phytoremediation potential for the Sarcocornia neei (Lag.) [1]. [2]Soil fertility analysis was made, as well as heavy metals concentration with compound samples from six sample point and 6 sub points, which met all protocols for soil extraction establish in NCh 3400/2: 2016 and standard methodology for metal chemical analysis in soil analysis lab and foliar samples at Pontificia Universidad Católica de Valparaíso (PUCV), besides vegetal tissue analysis in both areas in order to identify changes in the different conditions in which they live.During this process it was determined the most appropriate form to propagation of Sarcocornia neei in two substrates. In order to determine kind of inferential analyses to be done, normality test had performed, concluding its reject, and because of that, the contrasts were made by non-parametric tests, particularly Wilcoxon. In the develop of this kind of tests, software r-project was used, particulary the Rcommander package. In the results of the collected soil samples, acid pH, between 5,77 to 6,38 was observed, low levels of electric conductivity (EC) and Organic material (OM), as well as high concentration for heavy metals, prevailing Pb with a concentration of 77,97% mg/kg. Because of the species characteristics, the phytoremediation efficiency in the soil’s samples were 99,8%. The results were contrasted with international regulations, referred to metals concentration in soil. Histological cuts demonstrate maybe there is an adequation of the individuals to the environment conditions in where they live.

  • Use of eco-friendly techniques in sustainable agriculture and quality of organic crops

    Turgut Ozal University
    Turkey
    Biography

    Ozlem Altuntas, Dr. Turgut Ozal University, has main focus and researches area is the fate of organic nutrition in vegetables basically mycorrhiza, PGPR, vermicompost, and organic fertilizers. Her work experience and knowledge in fields of; soil and soilless culture of vegetables in greenhouse, organic vegetable production, use of biostimulants, beneficial microorganisms in agriculture, effects of abiotic stress (drought, salinity, nutrient deficiency and toxicity, low and high temperature stress etc.) factors on vegetables. Examples of recent study topics; -Application of some benefical microorganisms (some bacteria or fungi) to soilless cultivation substrate and reduced the use of nutrient solution in vegetables cultivation thanks to benefical microorganisms -investigation of the effects of stress alleviating on physiological parameters and antioxidant enzyme activity by using benefical microorganisms in abiotic stress. -increase nutritional values (total sugar, ascorbic acd, total phenol, total antioxidant etc.) of tomatoes and strawberries by applying different Hertz or dB sound waves

    Abstract

    One of the most important issues of the twenty-first century is sustainable crop production. Advanced production systems need to be implemented to meet the food needs of the growing human population. Current production methods in agriculture, e.g., the improper use of chemical pesticides and fertilizers, create a long list of environmental and health problems. Conventional agriculture that utilises large quantities of inputs in the form of fertilisers, pesticide, labour and capital) made it possible to grow enough food to meet the current global needs. However, these practices of intensive agriculture made leading to environmental damage and degradation of several ecosystem. Intensive agriculture system consumes fossil fuel, water, and soil at unsustainable rates. At the same time causes to environmental degradation, air and water pollution, soil desertification, diminishing biodiversity. Increasing concerns about intensive agriculture and its detrimental effects have led to the development of sustainable agricultural practices such as organic farming. Organic farming aims to by improving the natural environment, increased water retention, reduced soil erosion and increased agro-biodiversity. During the recent years, consumers’ trust in food quality has decreased drastically, mainly because of growing ecological awareness. It has been found that intensive conventional agriculture can introduce contaminants into the food chain. Consumers have started to look for safer and better controlled foods produced in more environmentally friendly, natural and local systems. Organically growing foods are widely believed to satisfy the above demands, leading to lower environmental impacts and higher nutritive values. Studies have shown that organic crops contain fewer nitrates, nitrites and pesticide residues but, as a rule, more dry matter, vitamin C, phenolic compounds, essential amino acids and total sugars than conventional crops. Organic crops also contain statistically more mineral compounds and usually have better sensory and long-term storage qualities.

  • Development of Novel 1,3,5-Triazene-cored maltoside amphiphiles for membrane protein extraction and stabilization

    Hanyang University
    South Korea
    Biography

    Lubna Ghani is doing her PhD student under the supervision of Prof. Chae Pil Seok Hanyang University South Korea.Her research area focus on development of novel amphiphilic agents for membrane protein solubilization and crystallization. She has published some article in well reputed Journal including JACS.

    Abstract

    Despite the great importance of membrane proteins, structural studies of these proteins present a major challenge. A significant issue associated with these proteins is to isolate them in a stable and functional state from natural membranes of lipid bilayers. Detergents are usually used to extract these proteins from the lipid bilayers and maintain them in a soluble and stable state in aqueous medium. However, due to limitations of conventional detergents it is essential to develop novel amphiphiles with enhanced membrane protein stability for advancing membrane protein research. Here we designed and synthesized 1,3,5-triazene-cored dimaltoside amphiphiles derived from cyanuric chloride. By introducing variations in the alkyl chain linkage (ether/thioether) and an amine-functionalized diol linker (serinol/diethanolamine), we prepared two sets of novel detergents. When tested with a few model membrane proteins, these agents showed remarkable efficacy in stabilizing the membrane proteins. Detergent efficacy for protein stabilization substantially varied depending on detergent structural variation, allowing us to discuss detergent structure-property-efficacy relationship. The triazene-based detergents introduced here hold significant potential in membrane protein study because of their structural diversity and universal stabilization efficacy toward multiple membrane proteins.

  • Enhanced photoelectrochemical cathodic protection performance of TiO2 nanotubes based photocatalyst via synergetic effect of graphene and Co(OH)2 dopants

    Chinese Academy of Sciences
    China
    Biography

    Xiayu Lu is a second-year PhD student from Institute of Metal Research, Chinese Academy of Sciences. Her research direction is the modification and performance research of titanium dioxide photocatalytic materials in marine environment.

    Abstract

    Steel materials used in marine environments are vulnerable to corrosion, especially localized corrosion due to the presence of chloride in such environments. Many methods have been developed to protect steel from corrosion in marine environments, including coatings and cathodic protection using sacrificial anodes. Since Tsujikawa and Fujisawa first discovered that TiO2 could be used as a kind of photoelectrochemical cathodic protection material to protect steel materials, photoelectrochemical cathodic protection method has attracted considerable attention because of its energy conservation and environmentally friendly features. In this work, we successfully inserted a layer of graphene sheets at the interface between Co(OH)2 nanoparticles and TiO2 nanotubes, aiming to improve the photoelectrochemical performance of the large-bandgap semiconductor TiO2 nanotubes. Surface morphology, crystalline structure, optical properties and photoelectrochemical performance of the Co(OH)2/GR/TiO2 photoanodes were comparatively investigated. In particular, the photoelectrochemical performance of the Co(OH)2/GR/TiO2 photoanode as well as the cathodic protection performance when coupled with 304SS in 3.5 wt.% NaCl solution were also carefully investigated and analyzed in order to deduce the process mechanisms and identify any synergistic effects between the anode materials. Compared with the blank TiO2, Co(OH)2/TiO2 and GR/TiO2 photoanodes, the photo-absorption performance, photoelectrochemical performance of Co(OH)2/GR/TiO2 photoanode were the best which is mainly due to the good electron conduction of graphene and the hole trapping effect of Co(OH)2 and their positive synergistic effect. As a result, Co(OH)2/GR/TiO2 photoanode produced an effective photocathodic protection for 304SS in 3.5 wt.% NaCl solution at least for 12 h, which would be promising for future practical applications in the field of marine corrosion protection.

  • Optimizing the Electromagnetic Wave Absorption Performance of Designed Hollow CoFe2O4/CoFe2@C Microspheres by Carbon Reduction

    Northeastern University
    USA
    Biography

    Jianwen Ge is a doctor of Northeast University, mainly engaged in absorbing electromagnetic waves

    Abstract

    Whereas core-shell typed absorbers present some superiorities like abundant interfaces toward attenuation of electromagnetic wave (EMW), but versatile approaches including Snoek limits, electron mobility, oxygen vacancies to further contribution are often not stressed in previous reports. In this article, rational design on the hollow CoFe2O4/CoFe2@C architecture has been successfully conducted by a sequential process of hydrothermal treatment, calcination and in-suit polymerization. Results exhibit that the high Hc is associated with this unique multipolar morphology. And Ms is also enhanced due to reduction process, which generates extensive oxygen vacancies in original lattice structure. In such complex systems, dielectric loss plays the dominant part in attenuation, where conduction loss mainly derived from CoFe2 contributes greatly. Analysis of the RL verifies the excellent absorption performance with the effective absorption band (EAB) of 5.9 GHz at 2.17 mm, and the optimized RL is up to -51 dB with 30 wt% loading. The improved Ms aiming to enhance ?r are integrated with enriched conduction loss/relaxation, determining the high-efficient dissipation, while the impedance matching can be further tuned by controlling the thickness of carbon layers. Therefore, this multi-favorable-factors design definitely shed light on novel structure for new absorbers.

Nanoscience & Material Chemistry | Analytical & Bio analytical Chemistry | Environmental & Green Chemistry | Food & Agricultural Chemistry | Oil & Petroleum Chemistry | Nuclear Chemistry | Polymer Chemistry | Electro Chemistry | Marine & Geo Chemistry | Computational Chemistry and Chemical Engineering
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