Day :
- Organic Chemistry | Analytical Chemistry | Green Chemistry | Physical Chemistry | Theoretical Chemistry | Environmental Chemistry | Materials Chemistry | Medicinal Chemistry
Location: Amsterdam
Chair
Dharshi Bopegedera
The Evergreen State College, USA
Co-Chair
Slawomir Jarosz
Institute of Organic Chemistry Polish Academy of Sciences, Poland
Session Introduction
Giulia Tarantino
Cardiff University, United Kingdom
Title: Catalytic and photocatalytic formation of C(sp3)-F bonds with heterogeneous catalysts
Time : 11:15-11:40
Biography:
Giulia Tarantino is a final year PhD student. She joined the hammond research group at cardiff university in 2015. Prior to her PhD studies, she completed her masters degree in chemical sciences at federico ii university of naples, where she was also the recipient of a one year fellowship award in organic synthesis. Ceri Hammond is a royal society university research fellow, based primarily at the Cardiff Catalysis Institute. Prior to establishing his independent group, he spent periods at ETH Zürich (11-14) and stanford university (14-15). His group currently consists of 1 PDRA, 8 PhDs and several undergraduate students.
Abstract:
The increasing demand for fluorinated compounds, widely employed in several industrial fields, has led to a surge of interest regarding the development of new strategies to perform selective fluorination reactions. However, whilst several breakthroughs have been achieved, the selective formation of C(sp3)-F bonds remains an elusive target. Furthermore, despite the many advantages offered by heterogeneous catalysts, the development of an active and stable heterogeneous catalyst for such processes represents an even geater challenge, due to the harsh reaction conditions typically employed in these reactions. Recently, our group has demonstrated that active and stable heterogeneous catalysts can be employed to perform selective and efficient fluorination reactions. Firstly, we reported that cationic Ag, supported on TiO2 by mechanochemical synthesis, is an efficient heterogeneous catalyst for the selective formation of new C(sp3)-F bonds via the decarboxylative fluorination of aliphatic carboxylic acid. More recently, and in parallel with this finding, we also developed new photocatalytic methods for the formation of new C(sp3)-F bonds, which employ commercially available TiO2 as heterogeneous photocatalyst, and display improved levels of sustainability and efficiency relative to all previous fluorination methods. During this presentation, our most recent findings regarding the selective formation of C(sp3)-F bonds via photofluorination with TiO2 will be discussed. In addition to kinetic and mechanistic studies, detailed spectroscopic studies with DRIFT, 19F MAS NMR and XPS will also be discussed, as these permit elucidation of the reaction steps mediated by the solid catalyst.
Slawomir Jarosz
Institute of Organic Chemistry Polish Academy of Sciences, Poland
Title: An approach to macrocyclic derivatives with sucrose scaffold
Time : 11:40-12:05
Biography:
Slawomir Jarosz has completed his PhD in 1979 at the IOC, PAS and he is now a full professor at this institute since 1999. Since 2011 he is a general director of this Institute and, since 1999, a head of the carbohydrate group. He spent 1 year (1980) as a post-doc in the group of bert fraser-reid (Maryland, US) and 1 year as a visiting scientist (1988) at Duke University (US). He published ca 190 papers and promoted 18 PhD students.
Abstract:
Sucrose(1),a-D-glucopyranosyl-b-D-fructofuranoside, composed of D-glucopyranose and D-fructofuranose units connected via their anomeric positions, is undoubtedly the most common disaccharide existing in nature. Its worldwide production exceeds 160 million tons, most of which is consumed by the food market. Relatively small percentage, which cannot be absorbed by the food industry, accounts, however, for several million tons; this huge overproduction has to be utilized in other ways. No wonder that great interest is directed to use of this ‘redundant’ sucrose in other than nutritive fields, such as biodegradable polymers or surfactants. There is also an increasing interest in application of sucrose as a ‘normal’ chemical. We are engaged in the application of sucrose for the preparation of fine chemicals. The key-substrate for this purpose is diol 2, in which the terminal hydroxyl groups are free and the remaining six are protected as benzyl ethers. Such derivative was used as a platform for construction of the analogs of crown and aza-crown ether analogs (3) and other macrocyclic derivatives such as 4. Several derivatives of type 3 have interesting complexing properties able to distinguish chiral ammonium cations. Macrocycles of type 4 have interesting conformational properties.
Jean-Christophe Carry
Sanofi, France
Title: SAR156497 an exquisitely selective inhibitor of aurora kinases
Time : 12:05-12:30
Biography:
Jean-Christophe Carry works at Sanofi in Paris, France as a medicinal chemistry group and project leader, in a global scientific platform called integrated drug discovery. Prior to that, he worked in sanofi oncology drug discovery from 2004 to 2014. From 1999 to 2004 he worked at Aventis in the global medicinal chemistry department, being involved in several international collaborations in connection with various therapeutic areas and at Rhône-Poulenc Rorer as a medicinal chemist, in the field of Anti-Infectious diseases from 1992 to 1999. He got his PhD in organic chemistry with Pr G H Posner from the Johns Hopkins University, USA in 1992.
Abstract:
The Aurora family of serine/threonine kinases is essential for mitosis. Their crucial role in cell cycle regulation and aberrant expression in a broad range of malignancies have been demonstrated and have prompted intensive search for small molecule Aurora inhibitors. Indeed, over ten of them have reached the clinic as potential anticancer therapies. We will report the discovery and optimization of a novel series of tricyclic molecules that has led to SAR156497, an exquisitely selective Aurora A, -B and -C inhibitor with in vitro and in vivo efficacy. We will also provide insights into its mode of binding to its target proteins from X-Ray data, which could explain its selectivity.
Nawal Serradji
Paris Diderot University, France
Title: When iron chelation encounters bacterial inhibition
Time : 12:30-12:55
Biography:
Nawal Serradji has completed her PhD in medicinal chemistry at the age of 26 years from Paris Descartes University in Paris and postdoctoral studies from University College London Dr C M Marson department of chemistry. She is an associate professor in ITODYS CNRS UMR 7086 and she has published more than 20 papers in reputed journals.
Abstract:
Chlamydia trachomatis, a strict intracellular Gram-negative bacterium, is responsible for the most common sexually transmitted bacterial infection in the world (350,000 people infected) and trachoma. This infection also facilitates the transmission of other STIs, HIV for instance. The costs resulting from the treatment of this genital infection, or its sequelae, have thus been estimated at hundreds of millions of dollars per year. In addition, the persistent forms of this bacterium can lead to secondary inflammatory diseases like atherosclerosis and arthritis. No vaccine is available in humans. The search for new tools against this family of bacteria is therefore essential. Our group proposes such a tool thanks to the discovery of a new compound more active than the parent molecule, in a model of acute infection. Moreover, this new molecule is not toxic in cellulo.
Igor Nikitin
Fraunhofer Institute for Algorithms and Scientific Computing, Germany
Title: Mathematical modeling of electrochemical kinetics of alkaline methanol oxidation
Time : 13:55-14:20
Biography:
Igor Nikitin was graduated from moscow institute for physics and technology, where he received his MS in 1991, Ph.D. in 1996 and Doc.Sci. in 2005. Since 2004 he has been research scientist at the mathematical institute of the university of cologne, as well as associate professor at the moscow institute for physics and technology. Since 2008 he is a research scientist at fraunhofer institute for algorithms and scientific computing, sankt augustin, Germany. He has principal research interests in mathematical modeling, dynamical systems, numerical simulation, computer algebra, differential equations and has more than 100 publications in the field.
Abstract:
In this talk we consider a kinetics of alkaline methanol oxidation from mathematical point of view. At first, we describe an algorithm for symbolic conversion of a chemical model to a mathematical model, based on hypergraph theory. The chemical model is given in a form of a list of reagents and reactions, while the mathematical model is presented as a system of differential equations dv/dt=F(v,u). Here v represent surface coverage of the electrode by adsorbed reagents, u is the electrode voltage, which can be either fixed or time-dependent. Solutions of the model possess rich mathematical structure, closely related with the chemical properties of the system. Stationary points are defined by the equation F(v,u)=0. Topological "hedgehog" theorems provide existence of at least one stationary point. By construction, F is a polynomial function of v, and specialized solvers are able to find all its roots. Linearization characterizes the behavior of the system near the stationary point. Eigenvalues of the system matrix are key characteristics, their signs define stability of equilibrium by Lyapunov's criterion, their values define the rate of convergence to the equilibrium, poles of lectroimpedance, structure of Nyquist plots and numerical characteristic of the system, known as stiffness. We show, that in electrochemical alkaline methanol oxidation there are several experimental effects, which can be explained by a high value of stiffness: slow relaxation to the stationary state, observed in the measurements of polarization curves and chronoamperometry, strong hierarchy of electroimpedance spectra and large hysteresis in cyclic voltammograms.
Lialia Nikitina
Fraunhofer Institute for Algorithms and Scientific Computing, Germany
Title: Parameter identification in electrochemical kinetics of alkaline methanol oxidation
Time : 14:20-14:45
Biography:
Lialia Nikitina graduated from Moscow State University, MS in 1994, PhD in 2003. Since 2004 she is a research scientist at fraunhofer institute for algorithms and scientific computing, sankt augustin, Germany. Principal research interests are mathematical modeling, numerical simulation, data analysis, multidimensional optimization. She has published more than 50 papers in reputed journals and conference proceedings.
Abstract:
We present several approaches for parameter identification of electrochemical kinetic model of alkaline methanol oxidation. This process is relevant for the development of costefficient fuel cells. Experimental data comprise a set of cyclic voltammograms, measured for different fuel and alkaline concentrations. The mathematical model describes the process by a system of 6 differential equations, parametrically depending on 16 reaction constants. The main challenges here are: High stiffness of the system, creating stability problems for numerical integration, as well as high dimension and undefined range of parameter space, creating a known "curse of dimensionality" problem for numerical minimization algorithms. In our implementation, the integration of the differential equations is performed by an adaptive implicit algorithm, specially designed for stiff systems. For parameter identification we consider a combination of automatic derivative-free global minimization, traditional monte carlo and interactive parameter study. The common feature in experimental data is a strong hysteresis effect, i.e., the curves for increasing and decreasing voltages do not coincide. This effect appears in a thin subset of parameter space, representing special rare combinations of parameters. Several scenarios of the process are considered, related with different mechanisms of platinum oxide formation and various paths in carbon oxidation chain. We discover four islands of solutions, corresponding to the local minima of chi-square function. We have also found an interesting cross-relation between reaction constants, preserving chi-square. The best match belongs to the scenario with sequential mechanism of platinum oxidation, for which we present the reconstructed reaction constants.
Jwo-Huei Jou
National Tsing Hua University, Taiwan
Title: Blue hazard free OLED based environmentally, ecologically and human-friendly lighting sources
Time : 14:45-15:10
Biography:
Jwo-Huei Jou is a professor from National Tsing Hua University, Taiwan
Abstract:
Blue light enriched electric light can cause problems to human eyes and health, ecosystems, artifacts, and night skies. Candles might be thought as a good lighting measure becsuse they emit a perfectly smooth visible spectrum with little hazardous deep-blue or violet light. However, they have numerous problems including energy-wasting, scorching hot, hazards of burning and catching fire, flickering, and PM 2.5/green house gas releasing etc. Thanks to the invention of candlelight organic light-emitting diode (OLED), blue hazard free, omni-friendly lighting measures is now available. With the employment of multiple high-efficiency phosphorescent emitters, the candlelight OLED can be made highly energy-efficient with high light quality. Besides attracting much less insects after dusk, it is at least 10 times friendlier to retina and 5 times better for melatonin to generate at night, as comparing against the white light luminaires of CFL, LED and OLED. It is hoped that Lighting Renaissance be initiated soon by noting cancer including health issues to have become more serious from the improper electric light of modern world.
Fen-Tair Luo
Institute of Chemistry Academia Sinica, Taiwan
Title: Molten salt for high throughput production of carbon materials from biomassMolten salt for high throughput production of carbon materials from biomassMolten salt for high throughput production of carbon materials from biomass
Time : 15:10-15:35
Biography:
Fenâ€Tair Luo is currently a research fellow at the institute of chemistry in academia sinica, Taiwan. In 1984, he received PhD degree of chemistry from Purdue University under the guidance of professor Eiâ€ichi Negishi, who won the nobel prize of chemistry in 2010. He also did one-year postdoc work with Professor Carl Djerassi, who was the first one to invent the female oral contraceptive pill in the world. He is now engaging in the molten salt technology to carbonize biomass, so far he has received the patent of supertorrefaction of biomass from six countries.
Abstract:
Heating of biomass in the oxygen-free environment is a proven technique of locking up
renewable carbon in a fixed form that will not rot or decay, leading to unwanted emission of green house gases. Traditional pyrolysis using hot flue gas to effect the heat transfer is not in line with economics. We used hot liquid instead to effect the fast heat transfer to comply with economics and to be adaptable for commercialization in the future. Normally, the volumetric heat capacity of liquid is about 2000 times larger than that of gas so that the speed of heat transfer by liquid is at least several hundred times faster than that of gas. Depending on the conditions of production of the charcoal – temperature, resident time, and possible pretreatment of the biomass with common environmentally friendly reagents – the resulting porous biocarbon is suitable for use as biocoal, a coal replacement but a carbon neutral fuel in thermal power-plants; biochar, for burial as a carbon negative soil amendment that can improve water retention and/or provide filtration of chemical toxins and pollutants; activated carbon, a material with high specific surface area that can be used for filtration of liquids and gases, or as a substrate for support in catalysis or for electrochemical reactions. The technology is completely scalable from test-tube experiment, to tabletop machine, to pilot-plant demonstration equipment.
Jeng-Da Chai
National Taiwan University, Taiwan
Title: TAO-DFT and its applications to carbon nanomaterials
Time : 15:35-16:00
Biography:
Fenâ€Tair Luo is currently a research fellow at the institute of chemistry in academia sinica, Taiwan. In 1984, he received PhD degree of chemistry from Purdue University under the guidance of professor Eiâ€ichi Negishi, who won the nobel prize of chemistry in 2010. He also did one-year postdoc work with Professor Carl Djerassi, who was the first one to invent the female oral contraceptive pill in the world. He is now engaging in the molten salt technology to carbonize biomass, so far he has received the patent of supertorrefaction of biomass from six countries.
Abstract:
Heating of biomass in the oxygen-free environment is a proven technique of locking up renewable carbon in a fixed form that will not rot or decay, leading to unwanted emission of green house gases. Traditional pyrolysis using hot flue gas to effect the heat transfer is not in line with economics. We used hot liquid instead to effect the fast heat transfer to comply with economics and to be adaptable for commercialization in the future. Normally, the volumetric heat capacity of liquid is about 2000 times larger than that of gas so that the speed of heat transfer by liquid is at least several hundred times faster than that of gas. Depending on the conditions of production of the charcoal – temperature, resident time, and possible pretreatment of the biomass with common environmentally friendly reagents – the resulting porous biocarbon is suitable for use as biocoal, a coal replacement but a carbon neutral fuel in thermal power-plants; biochar, for burial as a carbon negative soil amendment that can improve water retention and/or provide filtration of chemical toxins and pollutants; activated carbon, a material with high specific surface area that can be used for filtration of liquids and gases, or as a substrate for support in catalysis or for electrochemical reactions. The technology is completely scalable from test-tube experiment, to tabletop machine, to pilot-plant demonstration equipment.
Zhoucheng Wang
Xiamen University, China
Title: Adsorption of BSA on amino-modified silica-coated magnetic MnFe2O4 nanoparticles
Biography:
Zhoucheng Wang has completed his PhD from Xiamen University in 1997. He is a professor of the college of chemistry and chemical engineering at Xiamen University since 2006. His research interests concern synthesis and characterization of nano-composite materials and multi-layer coatings, materials electrochemistry and surface engineering. He has published more than 120 papers in reputed journals.
Abstract:
Magnetic nanoparticles (MNPs) have drawn a lot of attention because of their unique properties and potential applications such as the immobilization of proteins and enzymes, drug delivery, etc. However, for bio-related applications, the pure magnetic particles might have the problems associated with the formation of large aggregates, alteration of magnetic properties and their toxicity in the biological system. Therefore, it would be necessary to coat a protective layer to ensure their chemical stability and improve their biocompatibility. Silica was considered to be one of the most ideal coating layers for MNPs due to its reliable chemical stability, biocompatibility, and easy functionalization, making them suitable for conjugation with proteins and in vivo applications. Many research have done on the silica-coated magnetic nanoparticles (SMNPs) resent years. Up to now, those studies mainly focused on the magnetite Fe3O4. MnFe2O4 nanoparticles supposed to be a better material for application due to its higher mass magnetisation and magnetic susceptibility. In this work, the superparamagnetic amino-modified silica-coated magnetic MnFe2O4 nanoparticles (AS-MNPs) have been successfully synthesized to adsorb bovine serum albumin (BSA). Comparing with SMNPs, AS-MNPs supposed to facilitate a strong attachment of protein onto its surface due to their additional surface amino groups. The pH and ionic strength effect on the adsorption of BSA were investigated, and isothermal adsorption of BSA on the nanoparticles was carried out by placing AS-MNPs into different batches of BSA solutions at pH 5.1. As a result, a high loading of BSA of 0.159 mg/g can be anchored on the AS-MNPs.
Biography:
Jeamichel Puente Torres has completed his bachelor degree in biomedical engineering from Oriente University, faculty of electrical engineering in santiago de cuba province, cuba in 2015. He occupied the position of Specialist ¨A¨ in electromedicine since 2016 and is in charge of departament of biomedical metrology of the CNE (National Center of Electromedicine). He has studied 16 graduate degree courses and actually is working on two master's degrees (Automatic Control and Energy Efficiency) from Oriente University and his PhD in chemistry from Hasselt University supported by VLIR-UOS-P5 project and a BOF schoolarship. He has recently published the work titled: ¨A novel X-Ray radiography approach for the characterization of granular activated carbons used in rum production¨ in journal of analytical science and technology. 2018, 9:1.
Abstract:
X-ray method proved to be reliable, accurate and sensitive technique to study activated carbons defining its exhausted level with organic compounds. For the first time, the characterization of the exhaustion level of granular activated carbon (GAC) used in rum production applyed a method based on X-ray technology. Digital processing on X-ray radiography images from eight consecutive GAC layers of the industrial rum filter has been assessed. They were correlated with thermal desorption gas chromatography/ mass spectrometry (TD-GC/MS) chromatograms. The total of pixel detected in the radiographic X-ray images (grey-scale) is related with the total amount of organic adsorbed compounds in the exhausted GAC. The proposed method opens possibilities for the rum producers to improve the management and economical use of the activated carbon at industrial scale. This method is applicable to determine the saturation degree of all kinds of adsorbents used in the removal of organic compounds like dyes and pharmaceuticals in waste waters.
Jyoti Korram
Pt Ravishankar Shukla University, India
Title: A sensitive fluorescence sensor for organophosphate pesticides detection by controlling the surface passivation of carbon quantum dot
Biography:
Jyoti Korram is pursuing PhD under supervision of Manmohan L Satnami at the school of studies in chemistry, Pt Ravishankar Shukla University, Raipur, India. She has completed her MSc in the year 2013 and MPhil degree in the year 2014. She is working on the development of nanomaterial-based biosensors for the detection of stimulants of chemical warfare agents and organophosphorus pesticides. Her research interest includes nanoparticles, core/shell nanoparticles and quantum dot nanomaterials.
Abstract:
The organophosphorus pesticides (OP) induced inhibition of acetylcholinesterase (AChE) was monitored using carbon quantum dots (CQD). Tunable fluorescence CQDs originated from citric acid were synthesized and characterized. The fluorescence emission was quenched by gold nanoparticles (Au NPs) via fluorescence resonance energy transfer (FRET). Thiocholine, produced from acetylthiocholine hydrolysis by the of AChE, could cause the aggregation of Au NPs and the corresponding recovery of FRET-quenched fluorescence emission. The catalytic activity of AChE could be irreversibly inhibited by OPs, thus, the recovery effect was reduced. By evaluating the fluorescence emission intensity of CQDs, a FRET-based sensing platform for OPs determination of paraoxon was established. The sensing platform showed linear relationship with the paraoxon concentrations in the nM range and the limit of detection (LOD) was very low. Real sample study revealed the applicability of this sensing platform. The results show that the OP sensor is promising for applications in food safety and environmental monitoring.
Swapnil Tiwari
Pt Ravishankar Shukla University, India
Title: Simultaneous quantitative analytical studies of tartrazine, carmoisine and vanillin in food stuffs using Attenuated total reflectance Fourier transform infrared spectroscopy
Time : 17:30-17:55
Biography:
Swapnil Tiwari is pursuing her PhD in chemistry under the supervison of Professor Manas Kanti Deb from School of Studies in Chemistry, Pt Ravishankar Shukla University at Raipur, Chhattisgarh, India. Her research work is related to new analytical method development for the qualitative and quantitative analysis of carcinogenic food additves and adulterants in food stuffs employing Fourier transform infrared spectroscopic technique.
Abstract:
The use of colors in food is associated with its quality and is long term practice. The use of synthetic dyes in recent years has been increased significantly. Near about 3000 dyes are said to be in the use as food colorants at world level. In general, azo dyes are the most common dyes used in food colors. It has been reported that azo group can be chemically reacted, or as itself can be a basis of carcinogenic amines (formed by the chemical reaction of azo group) determination of banned azo dyes in consumer’s food is therefore of utmost concern. This study describes a novel diffuse reflectance-Fourier transform infrared spectroscopic (DRS-FTIR) method for simultaneously determining the qualitative and quantitative presence of three food additive viz, tartrazine, carmoisine & Vanillin in commercially available food stuffs. The FTIR spectral studies of food additives were taken between 4000-400 cm-1 and characteristic peaks of all three analytes were selected for identification. The absorbance and peak area were determined which shows excellent linearity for concentration range upto 100 ug mL-1. The statistical parameters such as limit of detection and limit of quantification were also determined. The method was successfully applied to food and beverage samples and good recoveries were obtained.
Reshma
Pt Ravishankar Shukla University, India
Title: Carbon quantum dots nanosensors for detection of acetylcholinestarase activity and its inhibitor
Biography:
Reshma has completed her M.Sc at the age of 22 year from Pt. Ravishankar Shukla University and Ph.D studies from School of Studies in Chemistry, Pt Ravishankar Shukla University, Raipur. She is Research Scholar. She has communicated two papers in reputed journals.
Abstract:
Fluorescent carbon quantum dots (CQDs) have been constructed to determine the activity of acetylcholinestarase (AChE) and to screen its inhibitors. Herein, the approach relied on the fact that the enhanced fluorescence of CQDs could be effectively quenched by copper (II) ions due to strong coordination of copper ions with the carboxyl groups present on the CQDs. Furthermore, thiol compounds released by acetylthiocholine iodide (ATCh) under AChE catalytic hydrolysis could interact with copper ions owing to stronger affinity between thiocholine and copper ion resulting in the fluorescence recovery of CQDs. On the addition of an inhibitor paraoxon, the activity of the enzyme decreased and the fluorescence recovery of CQDs is also restricted. The developed protocol provides a new and promising platform for assaying AChE and screening its inhibitors with low cost and high sensitivity.
- Biological Chemistry | Nuclear Chemistry | Petro Chemicals | Multi-disciplinary Chemistry | Chemistry Education | Inorganic Chemistry
Location: Amsterdam
Chair
Alexei V Finkelstein
nstitute of Protein Research RAS, Russia
Co-Chair
Maxim Oshchepkov
JSC Fine Chemicals R & D Centre, Russian Federatio