6^th International Conference on Physical and Theoretical Chemistry March 18-19, 2020 Amsterdam, Netherlands

Biography:

Education: 2002. Ph. D. (field chemistry – specialty physical chemistry) Faculty of Chemsitry and Technology (FCT), University of Split.

Employment: Since 2014 associate professor, Department of Physical Chemsitry, FCT.

Field of scientific interest: Scientific and research work referes to identifying the properties of the mixed solvents through electrokinetic and thermodynamic behavior of the melted electrolyte. The part of the reserch refers to a) potentiometric examination of ion complexation, reaction of chemical cell without transference, as well as setting of the transference numbers, b) conductometry examination of association reactions, c) potentiometric, conductometric and spectrophotometric examination of coordinating reactions of macrocyclic ligands, d) volumetric and viscometric examination of ion-ion and ion-solvent interaction.

Abstract:

The densities of moderately dilute solutions of 1-ethyl-3-methylimidazolium chloride (EMImCl) in butan-2-ol were measured (using Anton-Paar DMA 4500M densimeter) at different temperatures, Q = 10, 15, 20, 25, 30 and 35 °C. From the obtained density data, volumetric properties (apparent molar volumes and partial molar volumes) have been evaluated. The volumetric data have been analyzed using Masson’s equation. The limiting apparent molar volume or partial molar volume at infinite dilution, and the slope of Masson’s equation at different temperatures for EMImCl in butan-2-ol have been interpreted in terms of ion-ion and ion-solvent interactions, respectively.

Biography:

Dmitry V. Sotnikov received his M.S. education in Chemistry in 2007 at the D.I. Mendeleev University of Chemical Technology, Moscow, Russia. From 2008 to 2012, he was a Ph.D. student at the A.N. Bakh Institute of Biochemistry of the Russian Academy of Science. After completing his dissertation “Detection of specific antibodies by immunochromatography: Principles and practical applications,” Dmitry V. Sotnikov was awarded a Ph.D. in biochemistry. His current studies are focused on the kinetics of antigen–antibody interaction, its influence on the sensitivity and specificity of immunoassays, and the development of novel immunoanalytical techniques.

Abstract:

The stracture of gold nanoparticles (GNPs) conjugates with four proteins (MW range 20-150 kDa and pI range 4-9) was studied. The composition of the conjugates was determined using the method of fluorescence spectroscopy according as it was previously proposed [Sotnikov D. V., et al. International Journal of Molecular Sciences. 2014. 16(1). 907-923]. Experimental results obtained in the framework of the Russian Science Foundation project (grant 19-14-00370) revealed regulations of mono- and multilayer immobilization of protein on GNP surface. At pH below the protein's pI, a positively charged protein molecules are attracted to the GNP and are easily conjugated to it forming a monolayer. When pH rises above pI, the negatively charged protein molecules are repelled from the surface. In this case, protein binding to the surface is possible due to donor-acceptor, van der Waals and other interactions. This effect is more pronounced for proteins with acidic pI. With increasing pH, the negative charge on the surface increases and, respectively, the layer of counter-ions near the particle increases. In addition, the sorption of the first layer leads to an even greater increase in the negative charge near the GNP surface and to the additional increase of the counter-ions layer. These processes provide an opportunity for negatively charged protein molecules to bind electrostatically to thicker cationic layer. According to asymmetrical flow field-flow fractionation data, increased pH does not enhance protein-protein interactions. Therefore, multilayer binding of proteins is caused by their interaction with the cationic coverage of GNPs.

Biography:

I am Peter, Emmanuel Essiet, a PhD student in chemical engineering of the Ahmadu Bello University, Nigeria. I have published two journal articles on kinetics and mass transfer with the University journal which is one of the reputable journals in Nigeria. I am currently working on computational approach for catalyst screening for propane aromatisation over a modified zsm-5.

Abstract:

The aromatization process of light alkanes is one of the major ways of adding value to the lower saturated hydrocarbons obtained from the refining process and Liquid Petroleum Gas, LPG. The thermodynamic analysis based on Gibbs free energy minimization subject to certain constraints was used to reduce the number of proposed species from thirty-six to thirteen at reaction conditions of 550 ^oC and 1 bar. The process of minimizing the Gibbs free energy equation was done using Aspen Plus software in a carbon free atmosphere. Influence of temperature, pressure and flowrate was studied on product distribution in the form of selectivity, yield and conversion of propane. It was observed that the formation of aromatics was least favoured as seen from the yield at various temperature. The hydrocarbon selectivity and yield were reported on carbon basis. It was discovered that methane formation was most favoured. Yield and selectivity of aromatics were found to be independent of pressure at 1 to 10 bar and m-xylene was found to be the most favoured of the isomers of xylene. This work also presented the computational justification for assuming that isomers of products obtained from propane aromatization is in quasi-equilibrium. The temperature which determine the maximum yield of the desired product was determine.

Biography:

Ms. Kavya Bhakuni has completed her Master’s in Chemistry from Indian Institute of Technology Delhi (IIT-Delhi) at the age of 23 years. She is currently pursuing Ph.D in chemistry from University of Delhi (DU). She has published 2 research papers in International Journal of Biological Macromolecules (Int. J. Biol. Macromol.) and one in Chemical Communications (Chem. Comm.)

Abstract:

Biological fluid is highly crowded due to the presence of various biomolecules. Therefore, it is essential to study the effects of molecular crowding agents to probe the behavior of a protein in cell-like environment. Inspired by biofluids, herein, a molecularly crowded environment is created in presence of ionic liquid (IL) envisaging sustainable protein packaging. Different molecules, such as Ficoll, sucrose, and polyethylene glycol were chosen as crowding agents, whereas, Choline dihydrogenphosphate (Cho-Dhp) was selected as IL due its known utility for protein stabilisation. Interestingly, molecularly crowded IL media enhanced the stability and catalytic activity (1.5-fold higher) of Cytochrome c (Cyt c) as compared to IL alone and crowding agents without IL. A similar trend was observed when the activity was recorded at 100 °C and when stored at room temperature for 30 days. The results were well corroborated with circular dichroism spectra which indicated that tertiary structure of Cyt c was disturbed in presence of the crowding agents but with the addition of IL, native structure of Cyt c was regained. Moreover, Cyt c dissolved in molecularly crowded IL media was regenerated successfully without affecting the melting temperature of the protein, confirming the suitability of the molecularly crowded IL media as a potential and ecofriendly packaging system for Cyt c.

Biography:

Seddiki Khemissi is Faculte of  Sciences at University  Badji  Mokhtar, Algeria. He started his research on Physical chemistry and Organic Chemistry started his academic carrier as assistant professor at University  Badji  Mokhtar, and promoted to Associate professor . Dr. Seddiki has successfully published several papers related to the area of Organic chemistry

Abstract:

,3-dipolar cycloaddition reaction is the main method to obtain heterocyclic compounds in good yields.^[1-3] Huisgen reaction using nitrone and olifins containing active double bonde such as maleimide, is widely used to synthesise five-membered heterocyclic derivatives like isoxazolidine.^[4]

However, the current trend of organic synthesis is the use of green chemistry, and ecofriendly processes. ^[5] In this fact, recently, Bhaskar Chakraborty and Prawin K. Sharma reported a diastereo and regioselective synthesis of some novel isoxazolidine derivatives by one pot cycloaddition reactions between nitrone and different maleimides in aqueous phase. ^[6] The result has shown that form exo is more dominant.

The aim of our work is to study theoretically the stereoselectivity observed experimentally ^[6] which stipulate the exo isomers are major products of the reaction, and show the factors influence of this selectivity, the calculation was done with DFT theory functional density ^{[7, 8]} which include the electronic correlation, solvent effects were also used in this study.

The results of the energy ΔEr, the enthalpy ΔHr and the free enthalpy ΔGr of the reaction, the activation energy ΔE^#, the enthalpy of activation ΔH^# and the free activation enthalpy ΔG^# at 298.15 K in the aqueous solution have shown that exo product is more favoured kinetically and thermodynamically than the endo product.

For the kinetic solvent effects of this reaction, among the four solvents used, water was found to be the best and the most convenient medium for the course of this reaction.

Biography:

Damir Z. graduated Bachelor’s course from the Chemical Faculty of Irkutsk State University (ISU) in 2018. He is currently a master's student and works in Laboratory of Quantum Chemistry, ISU. Damir Z. has published 2 papers in reputed journals and has been participated in several international conferences. He has won 2 personal grants and 3 personal scholarships.          
 

Abstract:

The relevance of studying the activity of initial amines with acetylenes and the mechanisms of their mutual transformations in a superbasic medium is dictated by the interest in the synthesis of nitrogen-containing heterocyclic compounds with potential biological activity. One example is the synthesis of N-phenyl-2,5-dimethylpyrrole.

Quantum chemical studies were carried out by B2PLYP/6-311+G**//B3LYP/6-31+G* approach. Using the simplest model for describing the superbasic medium, a “virtual screening” of the most probable interactions of acetylene molecules with each other and with the aniline molecule was done. Based on this, the most realistic interaction routes were selected, which were studied in more complex models, taking into account the obvious influence of alkali and solvent.

The experimental results are explained and the mechanism of one-pot N-phenyl-2,5-dimethylpyrrole assembly by sequential addition of three acetylene molecules to an aniline molecule is shown. The possibility of hexa-2,4-diyne formation is low due to the formation of an acetylene polymer such as octa-1,3,5-triene-7-yne, which is more advantageous both kinetically and thermodynamically. The acetylene polymerization reaction is carried out under more stringent conditions, but can compete with the formation of pyrrole.

This work was supported by Ministry of Education and Science of the Russian Federation. Grant Number: FZZE‐2020‐0025.

Biography:

Dr. Rahul Hajare is Fellow Indian Council of Medical Research. He is PhD student of reputed University Vinayaka Mission Research Foundation Salem TamilNadu. He is winner of world academic championship-2017 in pharmacy (antiretroviral therapy). He is among world's 500 most influential experts in pharmacy for the year 2017 on earth. He is alumni of The Yoga Institute Centenary Celebration Mumbai.

Abstract:

To highlight this important part of the research process, we asked research scientists to speak about their own experiences with failure. Research scientist explains why considers non-significant and negative studies to be important parts of publication history. Licensed data by USFDA Levofloxacin, but pregnancy category risk not ruled out.  Levofloxacin identified by IUPAC (3S)-9-Fluor-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]chinolin-6-carbonsäure,  by the end of 6- carboxylic acid group. Legal status is general prescription only. Levofloxacin was approved for medical use in the United States in 1996. It is on the world health organization's list of essential medicines, the most effective and safe medicines needed in a health system.  It is available as a generic medication. The wholesale cost in the developing world is about 0.44 to 0.95 USD per week of treatment. For patients with these conditions, OH should be inherent impurity seen in levofloxacin. Levofloxacin, sold under the trade names Levaquin among others, is an antibiotic. It is used to treat a number of bacterial infection including acute bacterial, sinusitis, Pneumonia and urinary infection, chronic prostatitis.

Biography:

Dr. Chandra Sekhar Rout is an Assoc. Prof. at Jain University, Bangalore. He did his postdoctoral research at National University of Singapore (2008-2009), Purdue University, USA (2010-2012) and UNIST, South Korea (2012-2013). His current google scholar h-index is 30 with total citations ~5200.  He is associate editor of “RSC Advances” a journal of Royal Society of Chemistry and “American Journal of Engineering and Applied Sciences” of Science Publications.

Abstract:

The ever-growing global demand of energy together with the depletion of fossil fuels makes it critical to develop sustainable and renewable energy resources. Developing relevant energy storage systems such as supercapacitors and batteries is essential to utilizing sustainable and renewable energy resources. Supercapacitors store energy in terms of both electrostatic double layer capacitance (EDLC) and pseudocapacitance. Nanostructured hybrid materials with both organic and inorganic components have attracted much attention recently due to the possibility of tailoring their dimensionality to facilitate a change in their fundamental properties including redox potential, conductivity and charge storage, in comparison with those of their bulk analogs. In my talk, I’ll discuss the working principles and fundamental aspects of supercapacitors and the recent achievements of our research group on design of 2D layered materials and reduced graphene oxide hybrids for supercapacitor applications. Some of our recent findings on supercapacitors based on graphene analogue 2D layered materials, nanosheets and their hybrids for high performance supercapacitors will be highlighted. Also, the effect of nanostructures on the properties of supercapacitor performances including specific capacitance, rate capability, energy density, power density and cycle stability for the next generation of supercapacitor electrode design will be discussed.

Biography:

Mohammed Mesrar is a PhD student at laboratory of Signals, Systems and Components Laboratory in faculty of sciences and technologies of Fez, Sidi Mohammed Ben Abdellah University, Morocco. He has enrolled in the doctoral program to pursue research dealing with Elaboration of ceramics, and / or thin layer Elaboration ceramic, and / or thin layer unleaded based on the system bismuth and alkaline

Abstract:

The lead-free ferroelectric ceramics with the formula of (1-x)Na0.5Bi0.5TiO3-xK0.5Bi0.5TiO3 (x = 0.00, 0.12, 0.16, 0.17, 0.18, 0.19, 0.20 and 0.30) were synthesized by conventional solid-state method. The binary system has been designed based on the phase diagram. The XRD patterns recorded at room temperature proved the phase formation of the samples. Using Rietveld refinement method which allow us to verify the morphotropic phase boundary (MPB) at x=0.12-0.18. The limits of rhombohedral and tetragonal solid solutions were successfully formed, as well as the evolution of their lattice parameters as a function of composition and temperatures were revealed. From the Scanning Electron Microscopy (SEM) analysis, have revealed uniform distribution of grains and change in grain size with the increase in K0.5Bi0.5TiO3 concentration. Presence of functional groups has been determined by Raman Spectroscopy at room-temperature. Electrical properties of ceramics are systematically modified by the K0.5Bi0.5TiO3 content. Electromechanical coupling factor kp = 0.291 are ameliorated at x = 0.12. The photocatalytic activity for the decolorization of methylene blue under visible light irradiation of NBT powder was evaluated. In consequence, it can be considered as a potential system in photocatalytic devices.

Biography:

Tofik Nagiev is a Vice-president of Azerbaijan National Academy of Sciences, Director of Research Center of “Azerbaijan National Encyclopedia” and Department chief of Nagiev Institute of Catalysis and inorganic chemistry of ANAS. The Professor of the department of the physical and colloid chemistry of Baku State University.

Abstract:

The Experimental data on the oxidation of pyridine and piperidine with “green oxidants” - H2O2, N2O is presented in this article. Reactions were carried out in the gas phase without the use of special catalysts and at atmospheric pressure in a flow-through quartz reactor. The study of coherent synchronized oxidation of pyridine bases using H2O2 and N2O was carried out in a wide range of varying process parameters; feed rates of H2O2, N2O and pyridine base, and temperature. The kinetic regularities of coherently synchronized reactions of hydrogen peroxide decomposition and oxidation of pyridine bases were studied experimentally. Quantitative assessment of inducing action of the primary reaction (decomposition of hydrogen peroxide and nitrous oxide) on the secondary one (oxidation of the pyridine base), is presented using the determinant equation. Experiments proved that reaction products in the oxidation of pyridine and piperidine with hydrogen peroxide are as following: 2,2-oxydipyridyl (yield: 24.5 wt.%) and pyridine (yield: 65.2 wt.%) respectively. Optimal conditions for the oxidation of piperidine with nitrous oxide in coherent synchronization mode, where 19.4 wt.% of 2,3,4,5-tetrahydropyridine is formed, were identified.