European
Chemistry Conference 2018

July 4-6, 2018 | Rome, Italy

Program Schedule

  • Keynote Speaker

    Time:

    Title

    Title: Carbon-Based Catalytic Materials for Energy Conversion

    Jiesheng Chen
    Shanghai Jiao Tong University, China
    Biography
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    Biography

    Professor Jie-Sheng Chen received his PhD degree from Jilin University in 1989 and worked as a postdoctoral fellow in the Royal Institution of Great Britain, the United Kingdom, from 1990 to 1994, and as a professor in the Department of Chemistry, Jilin University from 1994 to 2008. Since 2008, he has been a professor in the School of Chemistry and Chemical Engineering, Shanghai Jiao Tong University. His research interest is the synthesis of solid compounds and composite materials with new structures and functions.



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    Keynote Speaker

    Time:

    Title

    Title: Tuning Photocatalytic Semiconducting Materials for Environmental and Greenchemistry

    Hyoyoung Lee
    Sungkyunkwan University, South Korea Biography
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    Biography

    Prof. Hyoyoung Lee has completed his PhD at Department of Chemistry, University of Mississippi, USA in 1997. He did his postdoctoral studies at North Carolina State University. He worked at Electronics and Telecommunications Research Institute and then moved to Dept. of chemistry, Sungkyunkwan University as a full professor. He served as a director of National Creative Research Initiatives. Currently, he has served as an associate director of Centre for Integrated Nanostructure Physics, Institute of Basic Science. His current research area is low energy bandgap 0-2D semiconducting materials. He has written more than 141 journal articles with top-tier journals.



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    Keynote Speaker

    Time:

    Title

    Title: Catalytic Peptide Synthesis

    Hisashi Yamamoto
    Chubu University, Japan Biography
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    Biography

    Yamamoto received his Ph.D. from Harvard (Professor E. J. Corey). His first academic position was as Assistant Professor at Kyoto University, and in 1977 he was appointed Associate Professor of Chemistry at the University of Hawaii. In 1980 he moved to Nagoya University where he became Professor in 1983. In 2002, he moved to United States as Professor at the University of Chicago. In 2012, he moved back to Nagoya as Professor and Director of Chubu University. He has received the Prelog Medal (1993), the Chemical Society of Japan Award (1995), the National Prize of Purple Medal (Japan) (2002), and Tetrahedron Prize in 2006, and ACS Award for Creative Work in Synthetic Organic Chemistry (2009), Roger Adams Prize (2017) (h-index 104).



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    Sessions:
    Biochemistry and Agricultural Chemistry & Biological and Physical Chemistry

    Time:

    Title: Mechanism and Regulation of a Membrane Protein Chaperone

    Shu Ou Shan
    California Institute of Technology,USA

    Biography
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    Biography

    Shu Ou Shan
    California Institute of Technology,USA

    Work in the Shan lab aims to understand the mechanism of cellular machines in protein biogenesis and homeostasis, by integrating quantitative approaches in biochemistry, biophysics and mechanistic enzymology with structural and molecular cell biology. Unique to Dr. Shans research is an attempt to understand complex cellular processes at the level of quantitative models that provide accurate predictive power. Her current work focuses on the mechanism of co- and post-translational protein targeting pathways, the roles and mechanisms of molecular chaperones dedicated to membrane proteins, and the principles of molecular recognition and regulation by a large, growing class of dimerization-activated nucleotide hydrolases.



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    Abstract

    Shu Ou Shan
    California Institute of Technology,USA

    Molecular chaperones play key roles in maintaining protein homeostasis within cells. Membrane protein chaperones face particular challenges, as they not only protect highly aggregation-prone membrane protein substrates, but also need to achieve tight spatiotemporal coordination of their chaperone cycle. I will describe our biochemical and biophysical work that define the chaperone cycle for cpSRP43, which protects the largest family of membrane proteins, the Light Harvesting Chlorophyll a/b-binding Proteins (LHCPs), during their delivery to the thylakoid. Our study revealed that cpSRP43s substrate binding domain samples at least three distinct conformations. This enables it to be readily switched on by positive regulators in the soluble phase to ensure tight substrate binding, and be switched off by the translocase at the membrane to ensure facile and productive substrate release. Our work demonstrates how the intrinsic conformational dynamics of a chaperone enables spatially coordinated substrate capture and release, and suggests how leveraging the activitiesand properties of cpSRP43 provides opportunities for bioengineering efforts.

    Time:

    Title: The Unpaired Electron Spin Density Distribution in Reduced [2Fe-2S] Clusters by 13C-Cysteine Labeling

    Alexander Tomoaki Taguchi
    MIT School of Science, USA

    Biography
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    Biography

    Alexander Tomoaki Taguchi
    MIT School of Science, USA

    Alexander Tomoaki Taguchi career as a magnetic resonance spectroscopist began at the University of Illinois at Urbana-Champaign(USA) Biophysics graduate program. He studied photosynthetic reaction centers using pulsed Electron Paramagnetic Resonance to obtain high-resolution insight into the structure-function relationships of the electron transport processes. He then transitioned into the field of iron-sulfur clusters as a postdoctoral fellow at the Nippon Medical School in Tokyo, Japan. Currently he is working as an NIH postdoctoral fellow on solid-state Nuclear Magnetic Resonance fast magic angle spinning on membrane proteins at the Massachusetts Institute of Technology.



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    Abstract

    Alexander Tomoaki Taguchi
    MIT School of Science, USA

    Iron-sulfur clusters are some of the most versatile classes of electron transport mediators in biology. The roles of these metal centers are predominantly determined by the coordinating ligands (typically cysteine and histidine) that modify the electronic structure of the cluster. Here we determine the spin density distribution onto the cysteine ligands for the three major classes of the reduced [2Fe-2S](His)n(Cys)4-n (n=0,1,2) cluster by site-specific 13C isotope labeling of the cysteine -carbons. The spin distribution is asymmetric and delocalizes further along the reducible Fe2+ ligands than the Fe3+ ligands. The preferential spin transfer onto the chemically reactive Fe2+ ligands supports that the orientation of the cluster in proteins is not arbitrarily decided, but rather is optimized for better electronic coupling with redox partners. Finally, the resolution of all cysteine -carbon 13C hyperfine couplings provides a measure of the relative covalencies of the metal-thiolate bonds not available from other techniques.

    Time:

    Title: In Silico Design and Experimental Characterization of an Oligopeptide Targeting the Ebola Virus Vp24 Protein

    Stefano Pieraccini
    University of Milan,Italy

    Biography
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    Biography

    Stefano Pieraccini
    University of Milan,Italy

    Dr. Stefano Pieraccini is Assistant professor at the Chemistry department of UniversitdegliStudi di Milano. His research activity is focused on molecular modeling of biomolecules.In particular he is interested in the computational study of protein-protein interactions, using molecular dynamics and free energy calculations. In recent years, his group focused on the design and optimization of peptides and small molecules acting as protein-protein interactions inhibitors.



    Abstract
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    Abstract

    Stefano Pieraccini
    University of Milan,Italy

    Ebola virus is the etiologic agent of a hemorrhagic fever with a very high human fatality rate, ranging from 50% to near 90%. The virulence and high lethality of this virus are due to different factors, in particular to its ability to inhibit both the innate immune response in the early stages of infection and the subsequent adaptive specific immune responses of the host organism. The Ebola viral Protein 24 (VP24) inhibits interferon signaling through its interaction with the human protein Karyopherin, thus impairing the immune response of the host against the infection and increasing its rate of diffusion into the organism and its lethality. This makes VP24 a potential pharmacological target, as the inhibition of its interaction with Karyopherin could reduce Ebola virulence. We carried out an atomic level study of the network of interactions between VP24 and Karyopherin using molecular dynamics and computational alanine scanning. Modeling the VP24Karyopherin complex allowed us to identify the amino acid residues responsible for proteinprotein binding and led to the identification of a nonapeptide with VP24 binding potential. Subsequently, the ability of this peptide to actually bind VP24 in solution has been assayed using Saturation Transfer Difference NMR and Circular Dichroism. Experimental and molecular modeling data concerning the VP24peptide complex have been compared and putative peptide binding sites and modes will be discussed.

    Time:

    Title: Non-Aqueous Solvent Based on Protein- Polymer Surfactant Conjugates

    Kamendra Sharma
    Indian Institute of Technology, India

    Biography
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    Biography

    Kamendra Sharma
    Indian Institute of Technology, India



    Abstract
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    Abstract

    Kamendra Sharma
    Indian Institute of Technology, India

    Non-aqueous solvents particularly those having low-volatility are of great interest for the bio-catalytic synthesis of utility chemicals and fuels. In this context, ionic liquids, and deep eutectic solvents have been identified as green and environmental friendly solvents for various organic transformations. In spite of finding usage in variety of applications the ionic liquids have several limitations in terms of toxicity, preparation, high cost, and most importantly their inability to disperse proteins with the structure of the later intact. Here we show novel solvent- like properties of a water-less bio-conjugate system (WL-BC) formed via electrostatic binding of anionic polymer surfactant on to the surface of positively charged globular protein. This highly viscous, low volatility material containing <1 wt. % water, above its solid-liquid transition temperature of ≈27 C can be used to dissolve, and disperse variety of solutes of different sizes (ranging from few angstroms to microns) and surface chemistries. Using a combination of bright field optical microscopy and fluorescence spectroscopy we show that dry and powdered protease enzyme can be solubilized and dispersed at 30 C in the WL-BC solvent. This solubilisation is accompanied by a a decrease in the tryptophan emission from WL-BC possibly as a result of protease mediated change in environment around tryptophan residues on the bio-molecular solvent. Time-correlated single photon counting experiments for a relatively smaller dye molecule (Coumarin 153; C153) dispersed in the WL-BC shows a single lifetime of 5.4 ns which is different from the two lifetimes of 1.93 ns and 5.32 ns observed for native biomolecule in the aqueous solution. The lifetime data also shows that the C153 binds similarly irrespective of its sequence of addition in the steps related to the synthesis of the WL-BC. Interestingly, experiments performed by mixing of 1 μm polystyrene beads dry powder (diffusion coefficient approximately 3 orders of magnitude slower than C153 and protease) in WL-BC liquid shows complete dispersion of the former within 24 hrs, thus highlighting the widespread prospective utility of these materials as media and catalysts.

    Sessions:
    Computational Chemistry & Data Science and Chemistry

    Time:

    Title: Theoretical Vibrational Spectroscopy of Hydrogen-Bonded Complexes, Liquids and Solids

    Marek J. Wojcik
    Jagiellonian University,Poland

    Biography
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    Biography

    Marek J. Wojcik
    Jagiellonian University,Poland

    Professor Marek Janusz Wójcik received his Ph. D. and habilitation from Jagiellonian University. He has been a research associate at National Research Council, Canada and University of Chicago, and has been a visiting professor at numerous universities and institutes in Japan, USA, Canada, Sweden, France, Germany, Malaysia and South Africa. He is a professor of Jagiellonian University.His important contributions include Quantum-Mechanical Models for Spectra of Hydrogen-Bonded Systems, Theoretical Modeling of Vibrational Spectra of Water, Aqueous Ionic Solutions and Ices, Theoretical Studies of Multidimensional Proton Tunneling and Car-Parrinello Simulations of Spectra of Hydrogen-Bonded Crystals. He received Chevalier Cross of the Order of Rebirth of Poland.



    Abstract
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    Abstract

    Marek J. Wojcik
    Jagiellonian University,Poland

    Theoretical model is presented for the X-H(D) stretching vibrations in hydrogen-bonded systems. The model takes into account an adiabatic coupling between the high-frequency X-H(D) stretching and the low-frequency intermolecular X...Y stretching modes, linear and quadratic distortions of the potential energy for the low-frequency vibrations in the excited state of the X-H(D) stretching vibration, resonance interactions between hydrogen bonds, Fermi resonance between the X-H(D) stretching and the overtone of the X-H(D) bending vibrations, and mechanical and electrical anharmonicities. The effects of deuteration and temperature on spectra are successfully reproduced by the model. Comparison between experimental and theoretical spectra is presented for different hydrogen-bonded systems, including ices. We present also the method of Car-Parrinello molecular dynamics used to calculate infrared spectra of crystals. Proton tunneling in tropolone is described by two-dimensional model potentials. The potentials have been fitted to quantum-mechanicaly calculated two-dimensional grid of energies, and used to analyze proton dynamics. The model PES well reproduces experimentally observed promotion of the tunneling by the excitation of the planar modes and suppression by the excitation of the out-of-plane modes.

    Time:

    Title: An Extended Electron Approach to the General Many-Body Problem

    Thomas Pope
    Newcastle University,United Kingdom

    Biography
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    Biography

    Thomas Pope
    Newcastle University,United Kingdom

    Thomas Pope Studied for a PhD in condensed matter theory at Lancaster University with CJ. Lambert, working on DFT and transport theory. Afterwards, worked at the University of Catania with G. Falci on Monte-Carlo simulations of quantum networks with noise-enhanced transport. Currently working at Newcastle University with WA.



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    Abstract

    Thomas Pope
    Newcastle University,United Kingdom

    An extended electron model has been shown to fully recover many of the experimental results of quantum mechanics while avoiding many of the pitfalls and paradoxes [1, 2]. The formulation for many body electronic structure calculations in this context resembles to Kohn-Sham formulation of standard density function theory, but rather than referring to a large set of single electron orbitals, the extended electron model is formulated using only mass density and field components, leading to a substantial increase in computational efficiency. We present a proof-of-concept all-electron implementation of this method for a set of atomic systems and show that the model works in practice for atomic systems.

    Time:

    Title: Evaluation of the levels of heavy metals, Dissolved Organic Phosphorus (DOP) and Nitrogen (DON) in three Wetlands of Northern Nigerian

    Shaibu Yusuf
    Federal University,Nigeria

    Biography
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    Biography

    Shaibu Yusuf
    Federal University,Nigeria



    Abstract
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    Abstract

    Shaibu Yusuf
    Federal University,Nigeria

    The levels of some heavy metals (copper, Cu; lead, Pb; zinc, Zn; cadmium, Cd; chromium, Cr and nickel, Ni), dissolved organic phosphorus (DOP) and dissolved organic nitrogen (DON) were seasonally determined in water samples from 35 sites which include Jebba, Baturiya, Lokoja, Matara-Uku and Nguru wetlands. The water samples were digested with concentrated trioxonitrate (V) acid at 85 0C for 2 hours on a hot plate and the metal levels were measured using atomic absorption spectrophotometer; the phosphorus and nitrogen levels were determined using the persulphate wet-oxidation method. The following range of values were obtained for the heavy metals; Cu (0.003490.001 to 0.0750 0.04 mg/l), Pb (0.1940.074 to 0.8700.001 mg/l), Cd (0.004480.0033 to 0.01980.0001 mg/l), Cr (0.000 to 0.04690.001 mg/l), Zn (0.008490.009 to 0.1440.296 mg/l) and Ni (0.00420.0056 to 0.04540.015 mg/l). Pearson correlation coefficient, analysis of variance, Tukeys test, principal component analysis (PCA) and cluster analysis (CA) were used to assess the data and it was observed that lead has the highest mean concentration out of the six heavy metals measured. When the metals levels were graduated, they were found to be in the order of Pb> Cr > Zn > Cu > Cd > Ni in the wet season but the order changed drastically in the dry season as Pb>Cu > Zn > Ni >Cd > Cr. The Pb and Cd concentrations in all the sites of the wetland were higher than the WHO and NAFDAC guidelines, indicating that they wetlands water samples are unsafe for human consumption, thus relying on these wetlands as sources of food would have serious public health implications. Generally, the metal concentrations increased in the dry but decreased in wet season. The average values for DON and DOP obtained ranged from 10.722.8 to 71.114.9 mg/l and 0.4640.229 to 1.841.39 mg/l respectively in the wetlands. The values obtained for DON during the dry and wet seasons are 71.114.9, 10.722.8, 26.79.40, 10.87.20, 17.47.10 and 46.811.3, 36.64.50, 46.111.0, 39.73.40, 38.21.80 mg/l respectively for J, BR, LA, M and N wetlands. While 0.4640.229, 0.9170.120, 0.7820.251, 1.841.39, 0.6010.603 and 1.600.422, 1.800.368, 1.820.771, 1.070.307, 1.451.45 mg/l were recorded for DOP in the dry and wet seasons respectively for J, BR, LA, M and N wetlands. There is no significant difference in DON and DOP concentration in both the dry and the wet seasons. Principal Component analysis and Cluster analysis were used to analyse the relevance of different heavy metals and identify their major sources. The results showed three factors for the heavy metals variability (72.5% of the total variance) that Zn, were dominated by PC1, Cd and Pb were associated with high values in the second component whereas Cr and Ni are higher in the third component. Cluster Analysis, (CA), for the sampling sites showed that industrial wastewater and atmospheric deposition were the major sources of heavy metals particularly Pb, Cd, Cr, Zn and Cu in these wetlands. High concentrations of DOP and DON in wetlands have been implicated for high yield of agricultural produce of the farmlands around the wetlands.

    Sessions:
    Nanochemistry & Materials Chemistry and Polymers Chemistry

    Time:

    Title: Nano-Coating of Silicon Oxynitride on Titania Nanotubes and its use in Sensors at Ambient Temperature

    Indu B Mishra
    Arizona State University, USA

    Biography
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    Biography

    Indu B Mishra
    Arizona State University, USA

    Dr. Indu B Mishra has a Ph. D. in Chemistry and Engineering from the University of Southern California. His graduate dissertation was Chemistry of Pentaborane under the guidance of late Professor Anton B Burg. Over the years he has worked on separation of uranium from vanadium, organotin compounds, and metallocarboranes as combustion catalysts, polymers as fuels for solid propellants, azides and tetrazoles as inflators for airbags culminating in study of metal oxide nanotubes. Dr. Mishra has been a professor in India, Brazil and Howard & Johns Hopkins universities in the U.S.A. He has worked in private industry as a research scientist for Talley industries of Arizona and Olin Corporation.



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    Abstract

    Indu B Mishra
    Arizona State University, USA

    Our work is centered on metal oxide nanotubes and I will present our work on Titania nanotubes, TiNT, synthesized by the anodic oxidation of Titanium. We have made several metal ions derivatives by reacting freshly prepared TiNT with up to 60% hydroxyl groups with differing amount of metal acetates. Zinc ion substituted TiNT, TiNT-Zn, for example complexes with peroxide explosives such as Triacetone triperoxide, TATP resulting in a drastic change in electric conductance of the nanotube s, which has been utilized in designing a solid state nanotube sensor. To overcome the reaction of water and saline vapor, we developed Nano coating of silicon oxynitride on TiNT-Zn. We have also studied the depth profile of Zn in the nanotube by Nano-SIM.

    Time:

    Title: Nanocomposites Consisting of Polypyrrole and Molybdenum Disulfide

    Rabin Bissessur
    University of Prince Edward Island, Canada

    Biography
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    Biography

    Rabin Bissessur
    University of Prince Edward Island, Canada

    Dr. Rabin Bissessur is a Professor of Chemistry at the University of Prince Edward Island, where he is also currently serving as the Department Chair. His teaching responsibilities include a preparatory course in chemistry, general chemistry courses, analytical chemistry, analytical instrumentation and materials chemistry. Dr. Bissessur received his PhD from Michigan State University. His research interests are in the field of nanocomposite materials, conductive polymers and solid polymer electrolytes. He has authored/co-authored 47 refereed articles, 14 book chapters and 6 educational materials for undergraduate chemistry.



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    Rabin Bissessur
    University of Prince Edward Island, Canada

    Exfoliated nanocomposites consisting of polypyrrole (PPy) and molybdenum disulfide (MoS2) were synthesized. The MoS2 was first prepared in an exfoliated state by reacting molybdic acid with a huge excess of thiourea at 500oC under nitrogen flow [1]. The PPy-MoS2 nanocomposites were prepared by polymerization of pyrrole with ammonium peroxydisulfate, in the presence of the exfoliated MoS2 [2]. The amount of MoS2 in the reaction mixture was systematically varied to produce a range of nanocomposite materials ranging from 1 to 50% by mass of MoS2. The nanocomposites were characterized by Fourier transform infrared spectroscopy, powder X-ray diffraction, scanning electron microscopy, and van der Pauw electrical conductivity measurements. Powder X-ray diffraction provided evidence that the nanocomposites are exfoliated. The diffractograms of the nanocomposites were completely amorphous, suggesting lack of structural order in these materials and indicating the formation of exfoliated systems. It was intriguing to observe that the nanocomposites exhibited enhanced electronic conductivity when compared to the pure polymer.

    Time:

    Title: Optically Thin (< 15 Nm) Silver and Copper Films With a Dense Array of Tiny Holes

    Ross Hatton
    University of Warwick, United Kingdom

    Biography
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    Biography

    Ross Hatton
    University of Warwick, United Kingdom

    Ross Hatton is an Associate Professor of Chemistry at the University of Warwick in the United Kingdom (UK) and holder of a UK Engineering and Physical Science Early Career fellowship (2016-2020). He was awarded his PhD in 2003 from the University of Nottingham (UK) and a five-year Royal Academy of Engineering Research Fellowship in 2007. He has published over 50 papers in peer reviewed international journals and has a long-standing interest in exploring the utility of nanomaterials in emerging thin film photovoltaics, including carbon nanotubes, metal nanoparticles and nano-structured metal films.



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    Abstract

    Ross Hatton
    University of Warwick, United Kingdom

    Optically thin (< 15 nm) films of silver and copper patterned with a dense array of tiny apertures have numerous potential applications in sensors, displays and the emerging generation of thin film photovoltaic devices. The key to unlockingthis potential is two-fold: (1) The development of sustainable processes that enable the formation of hundreds of millions ofmicron (and sub-micron) sized holesper square centimetre in said films, that are both low cost and scalable to large area.;(ii) The realisation of effective ways to slow air-oxidation of these very high surface/volumeratio metal films without electrically isolating the metal from its surroundings. This talk will describe recent developments in both areas by the Hatton group, motivated by the increasingly urgent needfor a class of window electrodematched to the challenging requirements organic and perovskite photovoltaics.

    Time:

    Title: Subcellular Organelle Targeting Photosensitizer

    Joon Myong Song
    Seoul National University, South Korea

    Biography
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    Biography

    Joon Myong Song
    Seoul National University, South Korea

    Prof. JoonMyong Song received his Ph.D. in 1997 at Kyushu University, in Japan. He worked as a postdoctoral research fellow from 1998 to 2004 at Iowa State University, Brookhaven National Laboratory, and Oak Ridge National Laboratory in United States. At present he is a professor and head of Department of Pharmacy at College of Pharmacy, Seoul National University in South Korea. His research area includes multifunctional nanoparticle for diagnosis and therapy and high-content cell-based drug screening and diagnosis using hyper-multicolor cellular imaging. He has published 110 peer reviewed papers in the top journals, 12 book chapters, and 11 patents.



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    Abstract

    Joon Myong Song
    Seoul National University, South Korea

    5,10,15,20-tetrakis(benzo[b]thiophene) porphyrin (BTP) is a newly synthesized hydrophobic photosensitizer. Various compositions of liposomes were used to alter the solubility of BTP. The photocytotoxicity, reactive oxygen species (ROS) generation capabilities, and subcellular localization of the various liposomal-BTPs were identified. DNA fragmentation assays and high content screening (HCS) assays were performed in order to shed light on the tumoricidal mechanisms of the liposomal-BTPs. The subcellular localization assays revealed that the localization of liposomal-BTP was dependent on not only the chemical properties of the photosensitizer, but also the properties of the delivery vehicle encapsulating the photosensitizer. The lipid composition of the liposomes seems to be the major contributing factor in determining its subcellular localization.2 Significant DNA fragmentation was observed in MCF-7 cells treated with a nucleus-localizing liposomal-BTP (DOPC-BTP and DOPE-BTP). Liposomal-BTPs were successful in inducing mitochondrial permeability transition (MPT), increasing cytosolic calcium concentrations, and activating caspase-3/7.

    Time:

    Title: Surfactant Free Synthesis of Platinum Nanoparticles for (Electro) Catalysis

    Jonathan Quinson
    University of Copenhagen, Denmark

    Biography
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    Biography

    Jonathan Quinson
    University of Copenhagen, Denmark

    Dr Jonathan Quinson is a Marie-Curie Individual Fellow at the University of Copenhagen, Denmark. He works on the surfactant free synthesis of nanoparticles for improved (electro) catalysis. He holds aMScifrom ESPCI ParisTech, Paris, France and a MRes in Green Chemistry from Imperial College, London, UK. He did his PhD at the University of Oxford, UK in materials science and bio-electrochemistry before joining the group of Prof Matthias Arenz in Copenhagen. His research interests are (nano) materials science (e.g. green synthesis and characterisation) and energy (e.g. electrochemical processes).



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    Abstract

    Jonathan Quinson
    University of Copenhagen, Denmark

    A toolbox for systematic studies of (electro) catalysts has been developed. The synthesis of colloidal suspensions of platinum nanoparticles (Pt NPs)is controlled separately fromtheir immobilisation on support materials. The influence of properties like size, nature of support, loading, distribution of the Pt NPs on a support material etc.can then be optimised independently. The resulting benefits for heterogeneous catalysis can then be assessed in a systematic manner. In this talk, the latest developments of this toolbox are highlighted. First, various ways to control the synthesis of Pt NPs using the surfactant free ethylene glycol processare presented. A specific focus is given to the size control of the NPs.Second, the NPs areshown to be suitable catalysts for electrochemical reactions like the oxygen evolution reaction after immobilisation on carbon supports or chemical transformationslike the hydrogenation of 2-butanone to 2-butanol after immobilisation on alumina. Finally, further promising development of the toolbox foroptimisation of supported catalysts are discussed.

    Time:

    Title: Enantio-Seperation Of Chiral Molecules Using Magnetic Substrates

    Yossi Paltiel
    Hebrew University, Israel

    Biography
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    Biography

    Yossi Paltiel
    Hebrew University, Israel

    Professor Yossi Paltiel is now in the Applied Physics Department in the Hebrew University of Jerusalem Israel. Prof. Paltiel has worked for both leading high-tech industry groups and in the academic world. Since July 2009, He is the leading the Quantum Nano Engineering group at the Hebrew University, Israel. Paltiel's group�s goal is to establish a way to incorporate quantum mechanics into room temperature "classical" computation and reading schemes. Professor Paltiel has published more than 100 papers in leading journals as well as issued 13 patents. Paltiel has a startup company named Valentis Nanotech founded in 2013.



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    Abstract

    Yossi Paltiel
    Hebrew University, Israel

    Enantio-selectivity is an imperativein nature and many molecules in living organisms possess specific enantiomeric properties. It is commonly assumed that recognition of chirality and enantio-selection, both in nature and in artificial systems, are solely related to spatial effects, with the recognition process typically described using a �lock and key�-type model. We present a new quantum spin interaction which enables enantio-selection. In recent years, it has been suggested that charge redistribution in chiral molecules induces, enantio-specific electron preferred spin orientation (The Chiral-Induced Spin Selectivity (CISS) effect). These results led to the proposal that the spin polarization may affect enantio-recognition as well as other processes in Biology.

    Time:

    Title: Optimizing the Structural and Morphological Parameters of Copper and Copper Oxide Nanostructures for Electrochemical Reduction of CO2

    Pravin Popinand Ingole
    Indian Institute of Technology Delhi, India

    Biography
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    Biography

    Pravin Popinand Ingole
    Indian Institute of Technology Delhi, India

    Dr. Pravin P. Ingole has been trained in electrochemistry and has been working in this domain for more than 10 years. His research interests include electrochemical investigations of nanophase materials for energy and environmental applications. This has included developing electro-catalytic materials for carbon dioxide reduction, oxygen reduction reactions which is one of the most important components of alkaline fuel cells and photo-electrochemical water splitting for the generation of hydrogen and oxygen. Recently, his research group has started working on super-capacitor applications where different metal oxide nanoparticles have been coupled with carbon nanostructures to enhance their capacitance values.



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    Abstract

    Pravin Popinand Ingole
    Indian Institute of Technology Delhi, India

    The electrochemical reduction of CO2 into valuable compounds that can be used as the starting material for the production of fine chemicals can be the potential strategy to utilize this molecule of high environmental impact. Amongst the reported electro-catalytic materials for the reduction of CO2, copper/copper oxide (Cu/Cu2O) electrodes have been special in its catalytic conversion activities but yet their use at an industrial scale is far from the practice. However, understanding its unique ability to catalyze the hydrocarbon formation would be highly encouraging for the design of new active catalysts with better product selectivity and thus, deserve further investigation for its optimization through shape, composition and morphology. Here, we report our successful strategy for the optimization of an electro-catalyst based on dendritic shaped Cu nanoparticles (NPs) and Cu2O-rGO composite prepared by rudimentary simple and green electrochemical dissolution method. The morphology, crystallinity and composition of the dendrites are found to be strongly correlated with their electro-catalytic CO2 conversion activity. Moreover, the growth pattern of the Cu and Cu2O-rGO NPs was studied rigorously and an evolution of dendritic shapes have been optimized with respect to several electrolysis parameters viz. applied bias voltage, additives concentration (i.e. L-ascorbic acid and tri-sodium citrate) and electrolysis time and temperature.

  • Sessions:
    Organic Chemistry and Inorganic Chemistry

    Time:

    Title: Catalysis of Reactions of Allyltin Compounds and Organotin Phenoxides

    Wojciech Kinart
    University of Lodz, Poland

    Biography
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    Biography

    Wojciech Kinart
    University of Lodz, Poland

    Wojciech Kinart was born on the 17th of May 1953 in Lodz. He graduated from the University of Lodz in 1977. On the 17th of April, 1980, he was awarded the Ph.D Degree in Chemistry. In 1996 he was awarded the habilitation degree in Chemistry at the University of Lodz. He was the author of 120 papers, two chapters in Comprehensive Heterocyclic Chemistry III, Oxford, 2008; and one chapter in Tin Chemistry: Fundamentals, Frontiers and Applications, Wiley, 2008.



    Abstract
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    Abstract

    Wojciech Kinart
    University of Lodz, Poland

    We have studied reactions of different allyltin compounds with 4-phenyl-1,2,4-triazoline-3,5-dione, diethyl azodicarboxylate and singlet oxygen in diethyl ether in the absence and presence of LiClO4. A strong catalytic effect of lithium perchlorate has been observed. We have also carried out the analogous studies with organotin phenoxides. The use of stannylation of phenols enhances their reactivity towards electrophiles such as DEAD, bis(trichloroethyl) azodicarboxylate and ethyl propiolate. The tri-n-butyltin phenoxides can be easily prepared by azeotropic dehydration of a mixture of phenol and bis(tri-n-butyltin oxide) in toluene. They react at room temperature with both azodicarboxylates to produce para-subsituted phenolic hydrazides in high yields. Whereas, their reaction at room temperature with ethyl propiolate gives either the derivatives of 3-phenoxyacrylic acid ethyl ester or 3-(2-hydroxyphenyl)acrylic acid ethyl ester. We have carried out the comparative studies of amination and vinylation of different phenols catalysed by LiClO4, SnCl4 and Et3N. We have also studied the mechanisms of these reactions.

    Time:

    Title: Electronic Properties of Various B-Doped Diamond (111)/Dye Molecule Interfaces

    Karin Larsson
    Uppsala University, Sweden

    Biography
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    Biography

    Karin Larsson
    Uppsala University, Sweden

    Karin Larsson is a Professor in Inorganic Chemistry at the Department of Materials Chemistry, Uppsala University, Sweden. She received a PhD in Chemistry in 1988. The research was directed towards investigation of molecular dynamic processes in solid hydrates by using solid state NMR spectroscopy. The scientific focus is on interpretation, understanding and prediction of the following processes/properties for both solid/gas interfaces, as well as for solid/liquid interfaces; i) CVD growth, iii) interfacial processes for renewable energy applications , and iv) interfacial processes for e.g. bone regeneration (incl. biofunctionalisation of surfaces).



    Abstract
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    Abstract

    Karin Larsson
    Uppsala University, Sweden

    Diamond is a widely known material for its many excellent properties. A B-doped diamondis an excellent p-type material for solar cell usage. It is considered as one of the strongest candidates for photovoltic electric generation. In the present investigation, the adsorption of different dye molecules onto H-terminated diamond (111) surfaces, have been theoretically studied using Density Functional Theory (DFT) calculations.. The diamond surfaces were B-doped in order to make them p-type semi-conducting. The choice of dyes was based on the match between the electronic structures of these H-terminated B-doped diamond surfaces, and the respective dye molecules. The dye molecules in the presentstudy include C26H13NO3S4 (A), C35H37NO2S3 (B), C34H38OS2 (C), C32H36OS2 (D), and C31H35S3Br (E).The main goal with the present study was thereby to investigate and compare the photo-voltaic efficiency of the various dyes when attached to B-doped and H-terminated diamond surfaces. The calculated absortion spectra for in principle all of the different dyes were shown to be located in the most intense part of the sunlight spectrum. The usage of a combination of these different dyes would, hence, be an optimal choice in order to improve the light harvesting in a photovoltaic process.

    Time:

    Title: Molecular Catalysts for Water Splitting

    Marcelino Maneiro
    University of Santiago de Compostela, Spain

    Biography
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    Biography

    Marcelino Maneiro
    University of Santiago de Compostela, Spain

    Dr. Maneiro received his Ph.D. degree in 1998 at University of Santiago de CompostelaUSC (Spain), working on the field of artificial photosynthesis. From 1998 to 2000, Maneiro was a Postdoctoral Fellow at Princeton University, USA; in 2004, he was a Visiting Researcher at the RCSI, Ireland. Since 2000, Maneiro has occupied different researcher and academic positions at USC, and he became a Professor of inorganic chemistry in 2007. Maneiro has authored more than 55 scientific publications. His research topics focus on biomimetic catalysts studying their capacity to oxidize water or their antioxidant activity.



    Abstract
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    Abstract

    Marcelino Maneiro
    University of Santiago de Compostela, Spain

    Decomposing water is the more direct way to produce hydrogen, which can be stored and utilized as a transportable fuel or converted into energy-rich organic molecules, to cope with the intermittent character of the solar radiation.The Oxygen Evolving Complex (OEC) is the native enzyme that catalyzes the oxidation of water in natural photosynthesis to release oxygen. This constitutes one of the half reactions of water splitting. The creation of biomimetic systems to reproduce the basic chemistry of this process gives us more insight into better understanding this crucial natural reaction which is responsible of the atmospheric oxygen that we breathe. In this communication we report the ability of a number of manganese complexes to split water, that has been studied by means of water photolysis experiments. The synthetic models to be presented show different structural features: monomers, m-aquo dimers, m-phenoxo dimers, dimer-of-dimers and tetrameric complexes. The discussion concerning the photolytic behaviour encompasses the advances made in the new insights on the structural features ascertained through the development of characterization techniques. Supramolecular interactions arise as a key factor to enhance the ability of these systems to split water. A dimer-of-dimers manganese complex, described in this work, appears as a precursor of an extremely active photolytic catalyst.

    Time:

    Title: Haloenol Phosphates: Their Preparation and Application in Organic Synthesis

    Tomas Tobrman
    UCT Prague, Czech Republic

    Biography
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    Biography

    Tomas Tobrman
    UCT Prague, Czech Republic

    Tomas Tobrman was born in 1977 in Plzeň, Czech Republic. He received his Ph.D. (2005) in organic chemistry from the University of Chemistry and Technology, Prague (UCT Prague). In 2004� 2005 he was a visiting student in the group of Prof. Tobias Rein (KTH, Sweden). In 2008 he joined the group of Prof. Ei-ichiNegishi (Purdue University, USA) as postdoc. In 2009 he returned to the UCT Prague where he became an associate professor in 2015. His current research interest covers transition-metalcatalysed reactions, stereoselective synthesis of tetrasubstituted alkenes, synthesis of π-conjugated molecules as materials for organic electronics, and heterocyclic chemistry.



    Abstract
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    Abstract

    Tomas Tobrman
    UCT Prague, Czech Republic

    The construction of CC single bond still represents a desirable target of current organic synthesis. Traditionally, halogen atom containing substrates are used to achieve designed transformations. On the contrary to the halogen templates,molecules with activated CO bond is attractive tool en route to functionalized molecules due to their low toxicity and good availability compared to halogens containing building blocks. In our research we are combining advantages of both building blocks emerging haloenol phosphates as powerful tool for the synthetic transformations. The presence of halide and phosphate moiety which significantly differin reactivity during cross-coupling reactions opens new possibilities for the synthesis of functionalized molecules. Thus, the topic of my talk will cover the most recent results devoted to applications of haloenol phosphate templates for the stereoselective synthesis of tetrasubstituted alkene and heterocycles.

    Time:

    Title: Bite-Angle-Regulated Coordination Geometries:Tetrahedral and Trigonal Bipyramidalin M(II) (M = Ni, Co, Cu)Complexes with Biphenyl Appended N,N-Bidentate Ligands

    Narasimha N. Murthy
    Indian Institute of Technology, India

    Biography
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    Biography

    Narasimha N. Murthy
    Indian Institute of Technology, India

    Prof. Murthy earned a Ph.D. degree in Inorganic Chemistry from Indian Institute of Science, Bangalore, India, in 1990. He was awarded J.C. Ghosh medal for best Ph.D. thesis work on multinuclear copper complexes with heteroallenes. He pursued postdoctoral researchwith Prof. Kenneth D. Karlin at the Johns Hopkins University, Baltimore, U.S.A. from 1990-92 and worked on in bioinorganic chemistry of copper.He continued there as a staff Research Scientist from 1992-96. In 1997, he joined Indian Institute of Technology, Madras, India, as Assistant Professor of Chemistry. He has been Professor since 2010. He was a visiting faculty at Johns Hopkins from 2003-04. He has taught and guided several Ph.D., Masters and undergraduate Engineering students.



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    Abstract

    Narasimha N. Murthy
    Indian Institute of Technology, India

    Control of low coordinate and low-valentmononuclear transition metal-ion (Fe, Mn, Ni and Cu) complexes with modified classical bidentateand tridentate nitrogen ligandshas attracted tremendous recent attention. Theymodelthe active-sites of metalloproteins involved in activation and catalysis ofsmall molecules, O2, H2and NO and aid in design ofmoleculeswith large magnetic anisotropy, assingle molecule magnets (SMM).Previously, we reported that copper complexes with simple biphenyl-appended (2-pyridylmethyl)amine N,N-bidentate ligand, activate O2, facilitate P-O bond cleavage of phosphodiester andassemblepyrophosphate-bridged Cu(II)-hexamer, Cu6.2 In arecent report,3 we demonstrated thatanalogous bidentate ligandshavingethyl (Le) and methyl (Lm) alkyl spacers between the two donor atoms, control coordination geometries of MII-halide (M = Ni, Co) complexes. Le, withwidebite-angle (100o) stabilized four-coordinate, [LeMX2] complexes with tetrahedral geometry; while,Lm with narrow bite-angle (80o) providedfive-coordinate complexes, [(Lm)2MX](ClO4-) with trigonal bipyramidal geometry. Results of these investigations,including X-ray crystal structure, spectroscopy (Uv-Vis-NIR, paramagnetic 1H NMR)and magnetismof high-spin Ni(II) and Co(II) are described.

    Sessions:
    Pharmaceutical Chemistry & Surface Chemistry & Medicinal and Clinical Chemistry

    Time:

    Title: Antiprotozoal Activity Against Trypanosoma Cruzi (Chagas Disease) of Constituents of Lippia Graveolens Kunth (Mexican Oregano)

    Ramiro Quintanilla Licea
    Autonomous University of Nuevo Leon, Mexico

    Biography
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    Biography

    Ramiro Quintanilla Licea
    Autonomous University of Nuevo Leon, Mexico

    Dr. Ramiro Quintanilla-Licea wasborn in Cerralvo, Nuevo Len, Mexico. He has got a degree in Industrial Chemistry (1977) and a master's degree in organic chemistry (1979), both degrees from the Universidad Autnoma de Nuevo Len (Mexico). He made his Ph.D. in organic chemistry at the University of Frankfurt am Main, in the German Federal Republic (1988). He is currently involved in research projects regarding Mexican plants with anticancer, antiprotozoal and antidiabetic activity.



    Abstract
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    Abstract

    Ramiro Quintanilla Licea
    Autonomous University of Nuevo Leon, Mexico

    Chagas disease is caused by the protozoan parasite Trypanosoma cruzi. This disease is also known as American trypanosomiasis, and approximately 6-7 million people are currently infected(WHO, http://www.who.int/mediacentre/factsheets/fs340/en/). Due to the side-effects and the resistance that pathogenic protozoa show against common antiparasitic drugs (e.g., Nifurtimox), growing attention has been paid to plants used in traditional medicine around the world to find new antiprotozoal agents. We reported shortly about the antiprotozoal activity in vitro against T. cruzi of the methanolic extract of Lippia graveolens Kunth(Molina-Garza et al., 2014, Acta Tropica, 136, 14-18).In this study, we are reporting the structure elucidation of three compounds isolated from this plant with significant antiprotozoal activity in vitro against T. cruzi. The following work-up of the methanol extract of L. graveolens afforded carvacrol (1),sakuranetin (2)and naringenin (3)using several chromatographic techniques. Structural elucidation of the isolated compounds was based on spectroscopic/spectrometric analyses (IR; 1H- and 13C-NMR; MS) and comparison with literature data.Cultured T. cruzi epimastigotes were incubated for 96 h with different concentrations of the compounds. The inhibitory concentration (IC50) was determined for each compound via a colorimetric method. The compounds showed significant antiprotozoal activity against T cruzi epimastigotes: carvacrol (100 % inhibition, IC50 24.91 g/mL), sakuranetin (96 % inhibition, IC50 39.56 g/mL) and naringenin (98 % inhibition, IC50 50.34 g/mL). The IC50 values of the compounds are less effective than Nifurtimox (IC50 10 g/mL), but they may represent new bioactive compounds for the treatment of trypanosomiasis.

    Time:

    Title: Investigation Of The Host-Guest Complexation Between 4-Sulfocalix[4]Arene And Nedaplatin For Potential Use In Drug Delivery

    Tamer Shoeib
    American University in Cairo, Egypt

    Biography
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    Biography

    Tamer Shoeib
    American University in Cairo, Egypt

    Dr. Shoeib is a professor of chemistry at the American University in Cairo. He obtained his chemistry BSc with honors and PhD both from York University (Toronto, Canada). In 2004 he was awarded a prestigious Natural Sciences and Engineering Research Council of Canada post-doctoral fellowship to join the National Research Council of Canada at the Institute for National Measurement Standards. His research interest lie in the areas of analytical chemistry, biophysical chemistry and molecular structure with a keen interest in examining the structure, reactivity, and function of metal-containing bio-molecules, the complexes formed by these interactions and their uses in medicinal and pharmaceutical chemistry.



    Abstract
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    Abstract

    Tamer Shoeib
    American University in Cairo, Egypt

    Macromolecules including macrocyclic species have been reported to have the potential to encapsulate biologically active compounds such as drugs through host-guest complexation to increase their solubility, stability and bioavailability. In this paper an experimental and theoretical investigation of the complexation between nedaplatin, a second generation antineoplastic drug, and p-4-sulfocalix[4]arene, a macromolecule possessing a bipolar amphiphilic structure with good biocompatibility and relatively low haemolytic toxicity is examined. Data from 1H NMR, UV, Job�s plot analysis, HPLC and DFT calculations are presented and suggest the formation of a 1:1 complex. The stability constant of the complex was estimated to be 3.6 x 104 M-1 and 2.1 x 104 M-1 which correspond to values of -6.2and -5.9 kcal mol-1, respectively for the free energy of complexation while the interaction free energy is calculated to be-4.9 kcal mol-1. The formed species is shown to be mainly stabilised due hydrogen bonding between the host and the guest not involving endo complexation where nadaplatin penetrates the cavity of the p-4-sulfocalix[4]arene. The low binding constant of the complex will most likely lead to its dissociation in biological media.

    Time:

    Title: Bulk, Surface and Catalytic Properties of Metal Carbides: A Systematic DFT Study

    Matthew George Quesne
    Cardiff University,United Kingdom

    Biography
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    Biography

    Matthew George Quesne
    Cardiff University,United Kingdom

    Matthew George Quesne completed his undergraduate at the University of Lancaster (United Kingdom) with specialization in Biochemistry. He then moved to the University of Manchester to pursue his PhD studies under the supervision of Dr Samuel de Visser in the field of enzyme catalysis. He was awarded his PhD in 2014 and joined the research group headed by Dr Tomasz Borowski at the Institute of Catalysis and Surface Chemistry, Polish Academy of Science Krakow (Poland). In April 2016, he moved to Cardiff University to work in the group of Prof. Richard Catlow, where he is investigating CO2 activation on transition metal carbides.



    Abstract
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    Abstract

    Matthew George Quesne
    Cardiff University,United Kingdom

    For this presentation, I will discuss the results of a comprehensive study into the bulk and surface properties of all available transition metal carbides, with rock-salt structures. I will explain how the bonding character of the materials is dependent on the periodic position of the transition metal and the direction of the surface termination, which in turn tunes the density of states and surface properties. Special consideration will be given to the possible catalytic implications of these surface properties on CO2 hydrogenation. The development of chemical processes that utilize CO2 as a cheap feedstock, in the production of valuable chemical, is considered by many as a very importance precursor to the future development of a low-carbon economy. Therefore, a primer focus of this current study is to compare those aspects of transition metal carbides that impact on their future usefulness as catalysts in the conversion of CO2. To this end, the work that I will present in this conference severs as a comprehensive screening of the electronic and catalytic properties of many different carbides. The knowledge gained from this study is forming the basis for our current work into the conversion of CO2 using photo-generated hydrogen.

    Time:

    Title: Solar-Driven Wastewater Treatment Using Silver-Titanium Dioxide

    Ghorab Mohammed Fouzi
    University Badji Mokhtar of Annaba, Algeria

    Biography
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    Biography

    Ghorab Mohammed Fouzi
    University Badji Mokhtar of Annaba, Algeria

    Ghorab Mohammed Fouzi was PhD holder from Glasgow University (1988) in the field of Inorganic and surface chemistry. He was Professor of Chemistry at the University of Annaba since 2002. He was Author of several papers dealing with the preparation characterization and use of TiO2 in the environmental chemistry. He Hold several scientific and academic positions at Annaba University and Qatar University where he held the position of Associate Professor in Chemistry.



    Abstract
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    Abstract

    Ghorab Mohammed Fouzi
    University Badji Mokhtar of Annaba, Algeria

    Solar-driven photocatalysis using doped semiconductors and particularly TiO2 has been the subject of increasing works over the past decades. This is mainly due to economical reason using free solar energy. Several researches have recently been made to prepare solar –driven photocatalyts by doping TiO2, either with metal or nonmetal with the aim of lowering the excitation energy.A great deal of effort has shown that doping with noble metals improves the capability of TiO2 for visible-light absorption.Many researchers have studied the photocatalytic degradation of various organic contaminants using silver doped TiO2 becauseits high stability, excellent electrical and thermal conductivity, and lower cost. It has been shown that the particles of silver deposited on the surface of the titanium dioxide constituted of sites where the electrons accumulate.The modification with silver can be done by methods Doping has been done by, photodeposition or microwave and laser-assisted methods, liquid impregnation.Anatase has higher photocatalytic activity and has been studied more thanthe other two forms of TiO2. Some studies reported that decorating TiO2 with silver nanoparticles (Ag) can enhance the photocatalytic activity of TiO2 significantly due to increasing the lifetime of e-/h+ pairs and reducing energy band gap from UV to visible-light region. To the best of our knowledge, among the various types of commercial TiO2used for doping studies the Millenium TiO2-PC500 has attracted little attention despite its high surface area (›250 m2/g) and 100% anatasestructure.In this study, the photocatalytic degradation and adsorption of two dyes namely Red Congo and Cristal Violet was studiedin the aqueous suspensions of TiO2 PC500 and Ag-deposited TiO2 PC500 nanoparticles under visible and UV light irradiations. The as prepared photocatalyst (Ag-TiO2 PC500)was characterized by DRX, SEM and EDXRF. Prior to the study of the degradation of these two model molecules their adsorption onto Ag-TiO2-PC500. The results show that their adsorption is consistent with L-H mechanism. The photocatalytic degradation of these two dyes using TiO2-PC500 and Ag-TiO2-PC500 was studied under UV and solar light by varying several experimental parameters such as pH, concentrations of substrate and photocatalyst. The results obtained show a significant increase in the Ag-TiO2-PC500.

    Time:

    Title: Carbohydrate Based Molecular Transporters For Drug Delivery

    Jungkyun Im
    Soon Chun Hyang University, South Korea

    Biography
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    Biography

    Jungkyun Im
    Soon Chun Hyang University, South Korea

    Dr. Jungkyun Im has obtained his Ph.D. degree in 2010 from Pohang university of science and technology in the field of bioorganic medicinal chemistry. During the Ph.D. course he has synthesized glycodendrimer, molecular transporter, stereoisomers of kinase inhibitor, and etc. In particular, to overcome the problems in the drug delivery across biological barriers, he prepared a series of novel molecular transporters based on carbohydrate as a scaffold. The G8 (containing eight guanidine units) sorbitol-based molecular transporter was found to be highly effective in cellular uptake as well as crossing the BBB.



    Abstract
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    Abstract

    Jungkyun Im
    Soon Chun Hyang University, South Korea

    The blood brain barrier (BBB) is composed of densely packed endothelial cells which surrounds the vessels of the brain. Endothelial cells of brain capillaries are tightly joined through tight junctions. Thus most molecules in blood plasma such as chemicals as well as pathogens are excluded from the brain. Due to this unique barrier property, brain can be effectively protected from common infectious and inflammatory processes. On the other hand, when the brain is in trouble by a certain disease, the BBB becomes the major hurdle for drug delivery to the brain. In addition, many kinds of efflux pumps are present in the endothelial cells in the brain. For these reasons, the development of CNS (central nervous drug) drugs with the BBB permeability is the major issue in pharmaceutical research. Employing the G8(guanidine eight) sorbitol-based molecular transporter, we have prepared AZT and 5-FU conjugates to examine their delivery to the mouse brain. The transporter has two selectively protected-primary hydroxyl groups. One hydroxyl group was conjugated to the drug of interest, while the other was used to attach a fluorophore via suitable linkers. For AZT and 5-FU conjugation, we utilized the succinate ester linker, which can be enzymatically cleaved to release the drug after successful delivery to tissues.

    Time:

    Title: Computational Identification of Novel Binding Sites to Expand the Druggable Human Proteome

    Agnieszka K. Bronowska
    Newcastle University, United Kingdom

    Biography
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    Biography

    Agnieszka K. Bronowska
    Newcastle University, United Kingdom

    Dr. Agnieszka K. Bronowska has been appointed Lecturer in Computational Medicinal Chemistry at Newcastle University in January 2016. Before her appointment she was a BIOMS Research Fellow at the University of Heidelberg, Germany, and earlier she worked as a postdoc in the group of Prof. Steve Homans in Leeds. Agnieszkas research focuses on development of new methods applicable to computational drug design and atomistic molecular simulations of proteins, protein-ligand complexes and complex nanomaterials. She is particularly interested in expanding druggable proteome by developing allosteric ligands and in rendering intrinsically disordered proteins (IDPs) druggable via binding-induced shifting of conformational ensemble.



    Abstract
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    Abstract

    Agnieszka K. Bronowska
    Newcastle University, United Kingdom

    The druggable human proteome may be larger than previously estimated: structured proteins may have multiple binding sites (allosteric and/or cryptic) which are not targeted during the conventional structure-based drug discovery procedures. Metamorphic aka intrinsically disordered proteins may also display transient structured binding sites, which may render those challenging targets druggable. Understanding and accurately predicting those binding sites could significantly expand the set of drug targets. During my talk, I will present the recent all-atom MD simulation data on druggability of proteins containing PAS domains (human AhR receptor, IPAS, and HIF-3alpha, including PAS domains previously unreported (NCOA1-NCOA3 nuclear receptor coactivators). I will show the novel binding sites we have identified for human STAT3, JAK3 and human sequestrosome p62, suitable for targeting by small molecule inhibitors. I will also talk about methods used for reliable identification of novel cryptic and transient protein binding sites: solvent mapping, mixed-solvent atomistic MD simulations (MixMD), and a new approach employing enhanced-pressure molecular dynamics (EPMD) simulations, developed in my laboratory.

    Time:

    Title: The Role Of Chiral Of Essential Oils In Medicinal Chemistry

    Khaled Sekkoum
    University of Bechar, Algeria

    Biography
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    Biography

    Khaled Sekkoum
    University of Bechar, Algeria

    Associate Professor Khaled Sekkoum is a Team Supervisor in Bioactive Molecules and Chiral Separation Laboratory University UTM Bechar, Algeria. He is member of many academic and scientific societies and founder of Algerian young chemist’s biochemists society. Currently, he is active as Supervisor of many PhD Thesis in chemistry of natural products and Author of three books and chapters and about of forty scientific papers with impact factor. His interested skills are natural products and nutrition (isolation, characterization and bioactivity).



    Abstract
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    Abstract

    Khaled Sekkoum
    University of Bechar, Algeria

    The vast majority of essential oils are produced from plant material in which they occur by different kinds of distillation or by cold pressing in the case of the peel oils from citrus fruits. Most of the methods applied in the analysis of essential oils rely on chromatographicprocedures, which enable component separation and identification. However, additional confirmatory evidence is required for reliable identification, avoiding equivocated characterizations.In the early stages of research in the essential oil field, attention was devoted to the development of methods in order to acquire deeper knowledge on the profiles of volatiles; however, this analyticaltask was made troublesome due to the complexity of these real-world samples. Over the last decades, the aforementioned research area has benefited from the improvements in instrumental analyticalchemistry, especially in the chromatographic area, and, nowadays, the number of known constituents has drastically increased. A good knowledge of chromatographictheory is, indeed, of great support for the method optimization process, as well as for the development of innovative techniques.

  • Sessions:
    Poster Presentations

    Time:

    Title: Analysis of Mineral Oil in Food: An Analytical Challenge

    Annelies Van Heyst
    Scientific Institute of Public Health, Belgium

    Biography
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    Biography

    Annelies Van Heyst
    Scientific Institute of Public Health, Belgium

    Annelies Van Heyst obtained her master degree in biomedical sciences in 2015 at the University of Antwerp. After her studies, she started a PhD at the Scientific Institute of Public Health (WIV-ISP) in collaboration with the Vrije Universitiet Brussel (VUB). As PhD student, she specializes in the complex matter of mineral oils and associated analytical methods and regulation.



    Abstract
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    Abstract

    Annelies Van Heyst
    Scientific Institute of Public Health, Belgium

    Mineral oil can enter the food chain in many different ways. The analysis of mineral oil in food is further complicated since it consists of MOSH (saturated hydrocarbons) comprising a complex mixture of linear, branched and cyclic compounds and variable amounts of MOAH (aromatic hydrocarbons), mainly alkylated. Both MOSH and MOAH form “humps” of unresolved peaks in the chromatograms with the same range of volatility. Since these two fractions have a different toxicological relevance, it is important to quantify them separately. Commonly, an on-line technique existing of a combination of Liquid Chromatography with Gas Ghromatography (LC-GC) with Flame Ionization Detection (FID) is used for quantification of MOSH and MOAH [1]. However, due to the limited availability and applications of this instrumentation, another technique (off-line) can be implemented. The off-line technique exists of separation of both fractions by Solid Phase Extraction (SPE) using silver nitrate/silica followed by evaporation and quantitative determination of both fractions by GC-FID with large-volume injection [2]. An overview of both techniques with their advantages and disadvantages will be presented. Besides the different techniques, the tested matrix has also an important impact, not only on data integration and interpretation but also on the sample preparation. Due to the presence of olefins and natural alkanes, some matrices require auxiliary methods such as epoxidation and aluminum oxide. The on-line technique was used to perform analyses of a wide variety of different food samples such as dry food, vegetables, fish and meat products,…. An overview of the results will be presented.

    Time:

    Title: Synthesis and Characterization of Chitosan Nanoparticles in the Pharmaceutical Application

    Fouad Damiri
    University of Hassan II-Casablanca, Morroco

    Biography
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    Biography

    Fouad Damiri
    University of Hassan II-Casablanca, Morroco

    FouadDamiriis currently a two year PhD student in polymers and science pharmaceutical at the University of Hassan II-Casablanca; Morroco, studying under Dr. Mohammed Berrada. The working title of his thesis is “synthesis and characterization of nanoparticles based on polysaccharides for medical applications.”



    Abstract
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    Abstract

    Fouad Damiri
    University of Hassan II-Casablanca, Morroco

    Nanoparticles have been widely studied for applications in drug release systems. To prevent a drug from rapid release, the use of biodegradable polymers, which serve as protective drug coatings, has been developed. Chitosan, as a biodegradable and biocompatible polymer, is extensively used as a carrier for encapsulation of drugs and biological substances in the pharmaceutical industry due to: its ability in a drug controlled-release system, its solubility in aqueous acidic solution which avoids the use of hazardous organic solvents while fabricating particles, its cationic nature that allows ionic to crosslink with multivalent anions, the capacity of chemical crosslink applied by its amino groups and its mucoadhesive character of increasing residual time at the site of absorption. Emulsion crosslinking, coacervation/precipitation, ionic gelation methods are usually used in preparing chitosan nanoparticles. Water-soluble drugs can be loaded by using the emulsion crosslinking technique with high encapsulation efficiency. In this method, a water/oil (W/O) emulsion was prepared by emulsifying the chitosan aqueous solution in the oil phase and aqueous droplets are stabilized by using a suitable surfactant. Then the stable emulsion is solidified by an appropriate crosslinking agent.

    Time:

    Title: Metal-Organic Frameworks for Luminescent Sensing and White LED

    Yuanjing Cui
    Zhejiang University, China

    Biography
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    Biography

    Yuanjing Cui
    Zhejiang University, China



    Abstract
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    Abstract

    Yuanjing Cui
    Zhejiang University, China

    Metal-organic frameworks (MOFs) are a new family of organic-inorganic hybrid materials and have received tremendous attention in the past decades due to their exceptional tunability and structural diversity. The luminescent properties of MOF materials can not only be generated from the metal ions/clusters and organic linkers (two basic components for MOFs) but can also be tuned by guest molecules/ions and the interplay/interactions among these different components. Such unique characteristics enable the luminescent MOFs to be very promising multifunctional materials for light-emitting devices. By encapsulating the organic dyes with different emitting color into pore spaces of luminescent MOFs to form MOFdye composites, the combination of the emissions from MOFs and the dyes can be elaborately tuned and thus realize the efficient white emission with high color quality. Furthermore, the resultant MOFdye composite exhibits a high quantum yield because that the confinement and isolation of the MOFs efficiently restrict the aggregation-caused quenching of the dyes. Such a strategy can be easily expanded to other luminescent MOFs and dyes, thus opening a new perspective for the development of white light emitting materials.

    Time:

    Title: Synthesis and Characterization of Polymeric Membrane for the Removal of Selected Heavy Metal ions from Aqueous Media

    Mohammad Abu Jafar Mazumder
    King Fahd University, Saudi Arabia

    Biography
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    Biography

    Mohammad Abu Jafar Mazumder
    King Fahd University, Saudi Arabia



    Abstract
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    Abstract

    Mohammad Abu Jafar Mazumder
    King Fahd University, Saudi Arabia

    A series of new specialty sulfonated diamine monomers containing oxygen, amine and sulfonate (having chelating properties) were synthesized from inexpensive and commercially available diamine. Sulfonated polyimides containing sulfonated diamine monomers, 1,4,5,8-naphthalenetetracarboxylic dianhydride and readily available nonsulfonated diamines were synthesized and characterized with tremendous scientific and technological interest. Sulfonated polyimides were characterized by various spectroscopic techniques such as Fourier transform infrared spectroscopy (FTIR), Nuclear magnetic resonance spectroscopy (NMR) and thermal gravimetric analysis (TGA). The physicochemical and mechanical properties of the sulfonated polyimides based composite membranes were studied in great details. Pore generating agent, polyvinylpyrrolidone of different molecular weights were added during composite membrane preparation to control the pore size. The selected composite membrane was explored to study their efficiencies for the removal of metal ions from the aqueous solutions. Effect of commercially available complexing agent, like, functionalized chitosan on the membrane performance will also be discussed.

    Time:

    Title: NMR and Electron Microscopy Structural Studies of the E. coli Class Ia Ribonucleotide Reductase

    Alexander Tomoaki Taguchi
    MIT School of Science, USA

    Biography
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    Biography

    Alexander Tomoaki Taguchi
    MIT School of Science, USA



    Abstract
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    Abstract

    Alexander Tomoaki Taguchi
    MIT School of Science, USA

    Ribonucleotide reductase (RNR) catalyzes the conversion of ribonucleotides into deoxyribonucleotides. RNR is thus an essential component of life in all organisms, and serves asa drug target for a wide range of diseases including cancer. Despite its medical relevance, an atomic resolution structure of the active complex has yet to be achieved. Here a dual NMR (Nuclear Magnetic Resonance) and electron microscopy approach is undertaken to investigate the molecular structures of the active (α2β2) and inactive (α4β4) forms of the E. coli class Ia RNR. A special double mutant E52Q/F3Y122 is shown to stabilize α2β2 for at least 2 hours. The E52Q/F3Y122construct allows for a negative stain electron microscopy map to be obtained at sub-20 � resolution for the first time. The α2β2 active complex is found to have an asymmetric mode of binding, contrary to the previously proposed symmetric docking model. DNP (Dynamic Nuclear Polarization) enhanced solid-state NMR measurements on mixed labeled samples reveal atomic resolution distance constraints at the α/β interface. The assignment of these NMR resonances requires MD (Molecular Dynamics) simulations constrained to the electron microscopy map.

    Time:

    Title: Lipase Immobilization on Facile Synthesized Polyaniline-Coated Silver-Functionalized Graphene Oxide Nanocomposites as Novel Biocatalysts

    Mohd Shamoon Asmat
    Aligarh Muslim University, India

    Biography
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    Biography

    Mohd Shamoon Asmat
    Aligarh Muslim University, India



    Abstract
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    Abstract

    Mohd Shamoon Asmat
    Aligarh Muslim University, India

    Enzymes perform an essential role in catalysing extensive reactions. Yet, their instability upon repetitive use, as well as their activity inhibition by different solvent remains a cumbersome task of concern. We present here a simple method to immobilize Aspergillus niger lipase (ANL) onto polyaniline-coated silver-functionalized graphene oxide nanocomposites (PANI/Ag/GO), involving the facile synthesis of PANI/Ag/GO and the formation of ANL@PANI/Ag/GO nanocomposites. Covalent bonding was achieved via glutaraldehyde as a cross linking agent onto these nanocomposites. The resulting ANL@PANI/Ag/GO with a nanoscale dimension has a remarkably high enzymatic activity recovery yield of 88.5% and immobilization yield upto 94%. The apparent optimum temperature and pH for ANL@PANI/Ag/GO were higher than those of free ANL. ANL@PANI/Ag/GO exhibited comparatively higher catalytic efficiency and enzyme-substrate affinity. The binding of ANL on PANI/Ag/GO-NCs was confirmed by Fourier transform infrared spectroscopy, transmission electron microscopy, scanning electron microscopy, dynamic light scattering and atomic force microscopy. The metal content was examined by energy-dispersive X-ray spectroscopy. ANL@PANI/Ag/GO biocatalyst retained over 86% of its initial enzyme activity after 11 repeated uses. ANL@PANI/Ag/GO displayed significantly enhanced solvent tolerance and high thermal stability compared to the free enzyme, it might be due to the increase in enzyme structure rigidity. Remarkably, the as-prepared nanobiocatalyst ANL@PANI/Ag/GO will have a deep impact on practical industrial scale uses of enzymes for the transformation of lipids into fuels.

    Time:

    Title: Relationship Between Sweetness and Structure of Sweet-Tasting Protein, Brazzein

    Kwang Hoon Kong
    Chung Ang University, South Korea

    Biography
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    Biography

    Kwang Hoon Kong
    Chung Ang University, South Korea



    Abstract
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    Abstract

    Kwang Hoon Kong
    Chung Ang University, South Korea

    To date, only eight sweet-tasting proteins have been known to elicit sweetness. Among them, brazzein (molecular mass of 6.4 kDa) is the smallest sweet-tasting protein isolated from the fruit of the West African plant Pentadiplandra brazzeana Baillon. Brazzein has attracted attention as a candidate for sweeteners for the control of obesity, oral health and diabetic management, because of its potential sweetness, sugar-like taste and good stability at high temperature and wide pH ranges. To elucidate the relationship between the structure and sweetness of highly sweet-tasting proteinwe have constructed several brazzein variants of residues in the flexible loops and the N- and C-termini of brazzein by site-directed mutagenesis. The brazzein variants were expressed in E. coli BL21and purified the same method as pET26b(+)-brazzein.The variants of the residues that located in the loop between β-strand III and β-strand II showed similar sweetness to the wild-type brazzein. On the other hand, the variants of the residues that located in the β-strand III, in loop between α-helix and β-strand, and the residues in N- &C- termini increased sweetness. Particularly, His31 and Glu41 residues in the flexible loops and Glu36 residue in the β-strand IIIof the brazzein were the critical residues of the moleculefor eliciting sweetness. We have also made multiple mutations of three residues. All double mutations made the molecules sweeter than wild-type brazzein and three single mutants. The increasing order of their sweetness weretriple variants> double variants > single variants. These results strongly support the hypotheses that brazzein binds to a non-continuous and multi-sites of the sweet taste receptor. We also found that mutations of Lys5 to Asp or Glu at position 5 of the N-terminal significantly decreased sweetness and mutation of the Glu53 to Arg at position 53 of the C-terminal made the molecules significantly sweeter than brazzein. From these results, we suggest that the positive charge at the Lys5 in the N-terminal was necessary for structural integrity, whereas the charge and length of side chain at position 53 in the C-terminal play an important role in the interaction between brazzein and the sweet taste receptor.Taken together, our findings also support the previous results that mutations increasing the positive charge favor sweet-tasting protein potency.

    Time:

    Title: Direct Hydroxylation Of Benzene Over Cu-Exchanged Hydroxy-Sodalite

    Samia Kosa
    King Abdulaziz University, Saudi Arabia

    Biography
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    Biography

    Samia Kosa
    King Abdulaziz University, Saudi Arabia

    Samia A. Kosa is an Associate Professor of Physical Chemistry in the Chemistry Department, King Abdulaziz University (KAU), Jeddah, Saudi Arabia. She graduated from KAU with a BSc in Chemistry and a Ph.D. in Chemical Engineering and Advanced Materials, 2004, from University of Newcastle upon Tyne, United Kingdom. Presently her research is focused on the synthesis of catalyst and designed Photocatalytic and photoelectrocatalytic systems for the destruction of aqueous pollutants and water disinfection; investigation of photo-degradation of organic dyes and polymers.



    Abstract
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    Abstract

    Samia Kosa
    King Abdulaziz University, Saudi Arabia

    Hydoxysodalite was prepared by two different methods using normal hydrothermal heating, and using a microwave assisted the other method. Some heavy medals were selected and their removed capacity was as a probe indicator for the properties of both methods. X-ray diffraction (XRD) was used for follow-up for the crystallinity and the degree of crystal destruction upon copper ion exchange. The copper ion exchanged zeolite was used in hydroxylation of benzene as probe reaction. The results showed that the microwave assisted prepared zeolite had lower crystallinity. Also, it showed a higher stability toward the ion exchange and higher catalytic activity per active center.

    Time:

    Title: Quantitative Determination of Heavy Metals in Some Commonly Consumed Herbal Medicines in Kano State, Nigeria

    Aliyu Umar
    Kano State Polytechnic, Nigeria

    Biography
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    Biography

    Aliyu Umar
    Kano State Polytechnic, Nigeria



    Abstract
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    Abstract

    Aliyu Umar
    Kano State Polytechnic, Nigeria

    Evaluation of heavy metals in twelve commonly consumed herbal medicines/preparations in Kano State Nigeriawas carried out. The samples comprised of five unregistered powdered medicines, namely, Zuwo (ZW); Rai Dorai, (RD); Miyar Tsanya, (MTS); Bagaruwar Makka, (BM); and Madobiya, (M); five unregistered liquid herbal medicines concussions for pile (MB), yellow fever (MS), typhoid (MT), stomach pain (MC), sexually transmitted diseases (STDs) and two registered herbal medicines; Alif powder (AP) and Champion Leaf (CL). The heavy metals evaluation was carried out using Atomic Absorption Spectrometry (AAS) and the result revealed the concentration (ppm) ranges of the heavy metals as follows: Cadmium (0.0045 – 0.1601), Chromium (0.0418 – 0.2092), Cobalt (0.0038 – 0.0760), Copper (0.0547 – 0.2465), Iron (o.1197 – 0.3952), Manganese (0.0123 – 1.4462), Nickel (0.0073 – 0.0960), Lead (0.185 - 0.0927) and Zinc (0.0244 - 0.2444). Comparing the results in this work with the standards of the World Health Organization (WHO), the food and Agricultural Organization (FAO) and the permissible limits of other countries, the concentration of heavy metals in the herbal medicine/preparations are within the allowed permissible limits range in herbal medicines and their use could be safe.

    Time:

    Title: Synthesis and Application of Novel Coumarin-Triazole-Based Polymeric Sensors towards Metal Ion Sensing

    Aidan Battison
    Nelson Mandela University, South Africa

    Biography
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    Biography

    Aidan Battison
    Nelson Mandela University, South Africa



    Abstract
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    Abstract

    Aidan Battison
    Nelson Mandela University, South Africa

    One of the greatest challenges in South Africa are the pollutants which we are exposed to within our environment.1 The mismanagement and release of toxic analytes via different chemical, agricultural and industrial processes has led to a critical need for advanced monitoring systems for environmental protection, remediation and restoration.2,3 Industrial processes release a plethora of different pollutants into the earth, atmosphere, and aquatic ecosystems.4 Most pollutant causing activities are due to mining, agriculture, industry and chemical storage. Contaminants released by these processes are not biodegradable and may be able to exude into water systems where they present an immense threat to environmental and human health.5 The diversity of analytes released into the environment is greater than the number of sensors able to detect these species. Clearly, there is a need for a rapid and low-cost means of detection, recognition, and monitoring of these analytes. Fluorescent coumarin-triazole-based polymeric materials were designed and investigated as potential sensors for metal ions. The Cu(I)-catalyzed 1,3-dipolar cycloaddition of azides and alkynes was the focus method of polymerization to form the triazole moiety. The coumarin-triazole units formed the backbone of these polymeric systems connected by ether chains of various lengths (Figure 1). The photophysical properties of the starting monomers and polymers were investigated. The polymers were tested for their chemosensing potential towards various metal ions using emission properties. The results of these chemosensing properties will be discussed in the poster

    Time:

    Title: Design, Synthesis And Biological Evaluation Of 2-Anilinopyrimidine-Based Selective Inhibitors Againsttriple Negative Breast Cancer Cell Line

    Hwayoung Yun
    Pusan National University, South Korea

    Biography
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    Biography

    Hwayoung Yun
    Pusan National University, South Korea



    Abstract
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    Abstract

    Hwayoung Yun
    Pusan National University, South Korea

    Triple negative breast cancer (TNBC) is a subtype of breast cancer that is phenotypically defined by the absence of estrogen receptor (ER), progesterone receptor (PR), and human epidermal growth factor receptor 2 (HER2). This subtype accounts for about 15% to 20% of all diagnosed breast cancers. TNBC is characterized by highly aggressive and intractable subtype due to its unique molecular profile, high cell proliferation, and distinct metastatic patterns. Although TNBC currently can be treated with chemotherapy, approximately 20% of patient with TNBC responds to standard chemotherapy. Until now, no approved targeted therapy is available for TNBC. In connection with development of novel anticancer agents for TNBC, an in-house chemical library was screened in a luminal type breast cancer and an EGFR over-expressed TNBC cell lines using a dose dependent MTT assay. A hit compound was identified that exhibited anticancer activity in both cell lines equal to that of gefitinib, representative EGFR tyrosine kinase inhibitor. On the structural basis of a hit compound, a novel series of 2-anilinopyrimidines was designed and synthesized. Cell viability of newly prepared analogs was intensively evaluated and then selective and potent inhibitors against TNBC cell line were developed.

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