Day 1 :
Keynote Forum
Ryszard Jankowiak
Kansas State University, Manhattan, USA
Keynote: Excitonic structure and dynamics in various photosynthetic antenna protein complexes: hole-burning and modeling studies
Time : 10:00-10:40
Biography:
Ryszard Jankowiak is a Distinguished Professor of Chemistry and Ancillary Distinguished Professor of Physics at Kansas State University, Manhattan, KS, USA. He is also affiliated with the Photosynthetic Antenna Research Center, Washington University, Saint Louis, MO. He has published over 230 papers in various areas of physical chemistry, toxicology, carcinogenesis, physics, and biophysics. Currently he studies photosynthetic reaction centers and light harvesting antenna complexes (and their mutant analogs) of various photosynthetic bacteria using solid-state low temperature (laser-based) spectroscopies and modeling.
Abstract:
Low temperature (high-resolution) hole-burning (HB) spectroscopy and modeling studies of various optical spectra (using a non-Markovian reduced density matrix theory with a Nelder-Mead Simplex algorithm for parameter optimization) provide new insight into the excited state electronic structure and dynamics of several photosynthetic complexes. The following complexes will be discussed: 1) The reconstituted CP29 antenna complex and its A2 and B3 mutants of Photosystem II from spinach; 2) The B800-850 LH2 antenna complex from Alc. vinosum; and 3) The FMO antenna from Chlorobaculum tepidum (C. tepidum) and its Y16F mutant. The information gained provides new insight into disorder, excitonic structure, excitation energy transfer (EET) dynamics and mutation induced changes via site directed mutagenesis. The following issues will be addressed in more detail: i) mutation-induced shifts of pigment site energies; ii) altered excitonic structure and inhomogeneity of mutants; iii) spectral density and electron-phonon couplings; and iv) protein energy landscape. Better understanding of mutation-induced effects (at the molecular level) on the excitonic structure and EET processes in various photosynthetic proteins may help to design better artificial systems for future photovoltaic devices. Finally, challenges facing an understanding of the nature of low-energy excited states in CP29 and FMO mutants will be briefly addressed.
Keynote Forum
Shlomo Rozen
Tel Aviv University, Israel
Keynote: Chemistry of Elemental Fluorine
Time : 10:40-11:20
Biography:
Shlomo Rozen was born in Bulgaria and immigrated to Israel as a small child. He received his Ph.D. from the Hebrew University of Jerusalem and then spent 3 years in the “Research Institute for Medicine and Chemistry”, Cambridge, MA. under D. H. R. Barton, R. H. Hesse and M. M. Pechet, where he began work with elemental fluorine. In 1976 he joined the School of Chemistry at the Tel Aviv University where he assumed the position of Professor of Chemistry in 1989. On multiple occasions he had held a position of visiting scientist at the Central Research Department of the DuPont Company. His main goal in chemistry is to demonstrate that elemental fluorine and reagents derived from it are very useful in general organic chemistry, as well as in fluorine chemistry, and chemists should discard their unjustified fears and prejudice against this long known but somewhat neglected element.
Abstract:
During the first century after the isolation of fluorine, organic chemistry did not show great interest in this element despite the fact that numerous fluoro-organic compounds exhibited many desirable functions in pharmacology, material chemistry, agricultural science and much more. The main obstacle was the mythical fear from this element. The truth is that this fear is baseless in case of diluted F2. It is less toxic than chlorine and can’t spread to large areas since it will react with the surrounding to produce mainly harmless substances. We have started to use this element for very selective CH activation (no catalyst), for constructing CF2 and CF3 derivatives, for making fluorohydrins (especially 18[F]-FDG) and for constructing vicinal difluoro compounds. Elemental fluorine, however, was also used extensively for creating fluorine free materials which are practically impossible to make without the help of this element. Thus, for example, one can brominate any deactivated aromatic ring (no catalyst), iodinate benzene derivatives, produce methoxilium ion (electrophilic methoxylation) and may be most importantly to make the HOF•CH3CN complex which is the best oxygen transfer agent organic chemistry can offer today. This hypofluorous acid can, for example, turn oligothiophenes into their all S,S-dioxo derivatives (not possible with any other agent) which are important ingredients in the electronic industry based on organic compounds.
- Track:2 Analytical Chemistry| Track 4:Environmental Chemistry | Track 17: Organic and Inorganic Chemistry
Session Introduction
Sabina Dolegowska
Jan Kochanowski University, Poland
Title: A comprehensive insight into sampling and sample preparation steps for trace element determinations in plant material
Time : 12:10-12:40
Biography:
Sabina Dołęgowska is an assisstant professor at the Institute of Chemistry, Jan Kochanowski University in Kielce, Poland. She graduated from the Institute of Chemistry in 2006, Jan Kochanowski University in Kielce. She received her PhD degree from Gdańsk University of Technology in 2010. Her key interest is quality control of environmental studies, environmental chemistry and biogeochemistry, trace element and stable isotope geochemistry.
Abstract:
Environmental monitoring is a process which consists of many interdependent steps. Each step ranging from selection of sampling sites through sampling of plant material to chemical analysis and data interpretation has to be thought over and all errors that come out of each stage should be identified because they can be a source of partial uncertainty. The quality of measurement describes total uncertainty that involves sampling, which is the main source of uncertainty (even up to 100%), sample preparation, and to a lesser extent chemical analysis. Like sampling, sample preparation has also a notable impact on the measurement uncertainty.
To provide further insight into the impact of sampling and sample preparation steps on the quality of measurement and the level of uncertainty chemical analysis of Pleurozium schreberi (Brid.) Mitt moss samples for selected trace elements (Cu, Fe, Mn, Zn) and rare earth elements (La-Lu) were done. All combined and duplicate samples were collected within three forested areas and prepared for analysis using two different treatment method, i.e. manually cleaning and triple rinsing with deionized water.
The following statistical methods: ANOVA, RANOVA, modified RANOVA and range statistics were harnessed to calculate uncertainty of sampling, sample preparation and analysis. In all cases analytical uncertainty was below 3%. Sampling and sample preparation uncertainty varied from 3.8 to 12.8% and from 3.4 to 29.7%, respectively. The level of uncertainty was dependent on: (i) type of element, (ii) its intra- or extracellular distribution, (iii) specificity of sampling area, and (iv) statistical method used for calculation.
Rasheed Adetoro
Osun State University , Nigeria
Title: HEAVY METALS SPECIATION OF OSUN RIVER IN OSUN STATE NIGERIA
Biography:
Will be updated Soon
Abstract:
As a result of rapid urbanization of major towns in Osun State since its creation in 1991, the activities around the rivers have increased tremendously with little or no regard for environmentally sound practice. Total concentrations of Mn, Fe, Cu, Zn, Cr, Pb and Ni in sediments were determined using wet digestion and atomic absorption spectrophotometric methods (AAS). Speciation of the elements was carried out using a five sequential extraction method. Results obtained revealed that in osun river sediments the general trend in total metal concentration in the six sampling sites was: LC > UC > MC for Mn and Cd, UC > MC > LC for Cu, Zn and Pb, UC > MC >LC for Fe while LC >MC > UC for Cr. Ni was not detected in all the samples. Speciation studies showed the trend in the percentage concentration of the metals in osun sediments in exchangeable fraction to be Cd > Cu > Zn > Mn while Fe, Cr and Pb were not detected in this fraction. The carbonate fraction was: Cd > Cu > Zn > Mn > Fe while Cr and Pb were not detected in this fraction. Reducible fraction was: Zn > Mn > Pb > Fe > Cu >Cr while Cd was not detected. Organic fraction was: Mn > Cr > Cu > Zn while Fe, Cd and Pb were not detected. Residual fraction to be Cr > Fe > Cu > Pb > Zn > Mn > Cd. It is therefore recommended that; The high percentage of majority of metals i.e. Fe, Cu, Zn, Cr and Pb (except upper course) in residual fractions (non-bioavailable form) in all the sampling sites for Osun river showed that the sediments could not be used for construction works (bridges and buildings). The non-bioavailability of Fe, Cu, Zn, Cr and Pb (except upper course) posed a much lower risk to the water body in normal conditions because of their low mobility in the sediment environment.
Yuegang Zuo
University of Michigan, USA
Title: Hydrophilic Interaction Liquid Chromatographic Determination of Antidiabetic Drug, Glimepiride, in Pharmaceutical Formulations
Biography:
Yuegang Zuo is currently a Full Professor in analytical and environmental chemistry and Director of Graduate Programs at Department of Chemistry and Biochemistry, University of Massachusetts Dartmouth. He received his B.S. degree in chemistry from Wuhan University in 1982, his M.S. degree in environmental chemistry from the Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, in 1984, and his Ph.D. in environmental science from Swiss Federal Institute of Technology Zurich in 1992. Most of his recent research has focused on separation, identification and quantification of pharmaceuticals and personal care products (PPCPs) and phenolic antioxidants in plants, pharmaceuticals, foods and the related environments and examine their occurrence, sources, distribution, transportation and fate in the biochemsphere. He has published over 70 peer-reviewed papers in prestigious international scientific journals such as Science, and Environmental Science and Technology
Abstract:
Glimepiride is one of the most widely prescribed antidiabetic drugs and contains both hydrophobic and hydrophilic functional groups in its molecules, and thus could be analyzed by either reversed-phase high performance liquid chromatography (HPLC) or hydrophilic interaction liquid chromatography (HILIC) [Zuo Y (2014) (Eds.), High-Performance Liquid Chromatography (HPLC): Principles, Procedures and Practices. Nova Science Publishers, Inc., New York, USA; Zuo et al., Saudi Pharmaceutical J., 2017, in press]. In the literature, however, only reversed-phase HPLC has been reported. In this study, a simple, rapid and accurate hydrophilic interaction liquid chromatographic method was developed for the determination of glimepiride in pharmaceutical formulations. The analytical method comprised a fast ultrasound-assisted extraction with acetonitrile as a solvent followed by HILIC separation and quantification. The effects of various HILIC parameters on the separation and determination will be discussed in details at the presentation. The developed method has been successfully applied to determine the glimepiride contents in pharmaceutical formulations and human fluids.
Zanariah Abdullah
University of Malaya, Malaysia
Title: Biological active 1, 2, 4-triazole derivatives: Synthesis and biological studies
Time : 13:40-14:10
Biography:
Abstract:
Biography:
Harold Crespo Sariol has his expertise in characterizing high-porosity materials based on acoustic emission and bubble-metric methods. His research has been addressed in determining the exhaustion degree of the activated carbon used in rum production applying these techniques. Since 2005, He has studied the rum adsorption process and activated carbon regeneration under the partnership of the major rum producer in Cuba. He has worked in Europe in the research group of applied and analytic chemistry (Hasselt University/Belgium) jointly with specialists of different scientific fields from Antwerp University and the Department of Polymer and Carbonaceous Material (Wroclaw University/Poland). His analytic methods have been successfully applied in Cuban rum industry. However, His proposed techniques are finding wider potential applications in the assessment of features of different adsorption and catalytic systems which is part of his current work.
Abstract:
Optical microscopy, acoustic emission analysis and sound patterns recognition techniques were applied for the characterization of granular activated carbon (GAC). New methodologies have been developed to determine the exhaustion degree of GAC used in the rum production: 1) based on the acoustic emission analysis of the sound produced by water flooded on GAC and 2) based on the microscopic analysis of bubbles formed by immersion into glycerol. Acoustic measurements are made in a specific set-up, bubble detection and analysis is performed using dedicated software developed in MATLAB® for circular shape pattern detection based on the Hough transform. Both have been correlated with data of GAC characteristics based on thermogravimetric analysis (TGA), CHNS-O elemental analysis, 1H-NMR T2-relaxometry and Thermal Desorption-Gas Chromatography Mass Spectrometry (TD-GC/MS). Eight GAC used in the rum production and sampled at different depth within the fixed bed filter (different exhaustion degree) have been evaluated. Good correlations are found between the immersion “bubble-metric” technique, the acoustic measurement data from the original signal processed by band-pass (BP) filtering at 1.3 kHz and amounts of adsorbed compounds on the GAC.
Conclusion & Significance:
All methods are even suitable for determining the exhausted degree of GAC used in rum production which is not possible using conventional gas adsorption methods. The acoustic emission and bubble-metric methods are fast and sensitive, can be performed quickly and relative easily, in view of an in-time controlling strategy needed within the rum production process. The found relationship not only gives the possibility to determine the exhaustion degree of GAC in rum production but also opens new horizons to evaluate high-porosity materials.
Janitha A Liyanage
University of Kelaniya, Sri Lanka.
Title: Concentration and chemical speciation in drinking water in an affected area of Chronic Kidney Disease of Unknown Etiology (CKDu) in Sri Lanka
Biography:
Working as a senior professor in the Department of chemistry in University of Kelaniya,received presidential Award for Scientific research.
Abstract:
In the last two decades, new form of chronic kidney disease (CKD) that cannot be attributed to diabetes, hypertension, primary glomerular nephritis or other known etiologies has encountered in the predominantly agricultural areas in the Northern Central Province of Sri Lanka. Concentrations of Ca2+, Mg2+, Fe2+, Cd2+, Cr3+, Cu2+, Mn2+, Ni2+, Zn2+, Pb2+, Al3+ and dissolved PO43-, SO42-, F-, CO32- were determined in drinking water in Ampara and Kabithigollawa area. Kabithigollawa is the affected area and Ampara is the reference. Apparently, complexation of cations with high affinity for (dissolved) PO43- , SO42- , F- and CO32- anions may lead to increase the risk of CKDu. This study shows that chemical speciation able to do both, decrease and increase the chemical toxicity, bioavailability, and environmental fate of heavy metals present in drinking water. Visual MINTEQ version 3.0 software was used for the determination of the species distribution of water in above affected two areas. Chemical speciation of trace elements is in general highly dependent on temperature, pH, pE and concentration of major elements and mainly considered how chemical speciation change according to the temperature, pH and ionic strength.
The Ca2+, Mg2+, Ni2+, Zn2+, Pb2+, Cd2+, Cr3+ concentrations in drinking water in Kabithigollawa area were higher than the Ampara and the Mn2+, Fe2+, Al3+, Cu2+ concentrations in water in Kabithigollawa area were lower than, those metal ion concentrations in drinking water in Ampara. Temperature was varied from 26ËšC to 32°C and obtained the chemical species distribution of drinking water at Ampara and Kabithigollawa . At Ampara percentage of total concentration in different chemical speciation of most of the elements which determined not varied very much with each other with the temperature change. But in Kabithigollawa Pb(OH)+, Cu2+, CuOH+, CuHCO3+ were varied. When pH was varied from 5.0 to 8.0 in two areas, percentage of total concentration in different chemical speciation such as Pb2+, Pb(OH)+, PbCO3, Al3+ , Al(OH)2+, Al(OH)4-, Cu2+, Cu(OH)+, CuCO3 , Cr(OH)+, Cr(OH)2+ and Cr(OH)3 were varied considerably at Ampara and Kabithigollawa . The variations of other elements with the pH are not considerable. Ionic strength was varied from 0.001 to 0.01 in two areas and the percentage of total concentration of Pb2+, Pb(OH)+, Al(OH)3, Al(OH)4- and Fe2+ were varied slightly.
Ruimao Hua
Tsinghua University, China
Title: Syntheses of functional molecules via alkyne annulation
Time : 11:40-12:10
Biography:
Abstract:
Agnieszka Galuszka
Jan Kochanowski University, Poland
Title: Identification and origin of geochemical anomalies of trace elements in soils
Time : 14:10-14:40
Biography:
Abstract:
Zdzislaw M Migaszewski
Jan Kochanowski University, Poland
Title: The use of stable isotope and Rare Earth Elements for solving environmental issues in acid mine drainage areas (south-central Poland)
Time : 14:40-15:10
Biography:
Abstract:
Fadi Ibrahim
Saad bin-alrabee alansari School, Egypt
Title: Novel Green-Chemistry Micro-fluidic Synthesis of Anthracene-based Microporous for H2 Storage by Capillary-Furnace LED based Reactor
Biography:
Will be updated soon
Abstract:
Microfluidic controlled multistep thermal-polymerization by Capillary-Furnace under LED irradiation (TPCFL) synthesis procedures used as a novel way for synthesis of series of anthracene-based microporous polymers (AMPs) in terms of improved product control, reproducibility and automation1. The majority of microfluidic research to date has involved single-phase flow reactors, in which miscible reagent streams are continuously injected into channels where they react to form the final product.2 Two-phase flow reactors that generation of the fluid segments and PTFE mixers (200 cm length, 1 mm I.D.) placed inside a temperature-controlled block (100oC) with application of an electric field to make fusion by lower the interfacial tension between droplets. The new quantitative amounts of reagents were introduced into the flow reactor as a separate droplet stream has been attracting interest for greater polymerization operational stability.3,4 Key advantages of (TPCFL) two-phase micro-channel flow based synthesis over continuous flow and flow injection system (FIS)5 include: 1-enhanced mixing, superior synthetic control due to lower sample volumes, 2-improved control over their size, 3-lowering nanoparticles aggregation, 4-saving time-solvent, 5- lowering synthesis cost of AMPs and 6-reduced susceptibility to fouling.
Tarun M. Patel
Shri M. M Patel Institute of Sciences & Research, India
Title: Development of Green Method for the Defluoridation of Groundwater
Biography:
Will be updated soon
Abstract:
Engineering of chitosan by praseodymium has been investigated to improve the adsorption properties as well as physical Characteristics of chitosan. Modification of chitosan changes the original properties of chitosan so that it can be more suitable for adsorption of fluoride ions. In this study, chitosan-lanthenoids (Chi- La,Pr,Nd,Ce,Dy, Al, Ba, ) was synthesized by impregnation method. The Chi complex was characterized by scanning electron microscopic-energy dispersive X-ray spectroscopy (SEM-EDX), Fourier transform infrared (FTIR) and employed as an adsorbent for removal of fluorides ions from water in the batch system. The variables such as contact time, concentration of Pr, adsorbent dose, initial concentration of fluoride ions, and competitor anions were studied. Preparation low cost green deflourinating technique like preparation soil pot, Tea Bag, Brick use as removal flourine in drinking Water by used of Chitosan complex.
Biography:
Aishatu H. Santuraki has completed her PhD at the age of 50 years from Moibbo Adama University of Technology Yola, Adamawa State, Nigeria. I am the Head of department of Chemical Sciences University of Kashere, Gombe State, Nigeria and I have published more than 10 papers in reputed journals and has been serving as an reviewer of repute journals
Abstract:
This study was aimed at determining the heavy metal levels in soil associated with automobile activities that causes significant environmental problems in six different sites ( Mairi,Tashan Bama,University gate, Custom, Gamboru and Gomari ) within Jere Area of Borno state. Soil at varying depth of 0-10 cm, 10-20cm, 20-30cm and 30-40cm were collected monthly for a period of three months(January-March 2017) respectively using standard procedure. The samples were ashed, digested and analysed for Lead, Chromium, Manganese, Zinc, Copper, Cadmium, Nickel, Arsenic, and Iron using Atomic Absorption Spectrophotometer. Results showed variation in concentration with respect to period and location. Highest concentration of Lead0.45±0.16ug/g),Iron(43.57±2.32ug/g),Chromium(2.89±0.61ug/g),Nickel(3.96±0.34ug/g),Zinc(1.69±0.08ug/g),Copper(1.98±0.03ug/g)and Manganese(4.97±0.12ug/g) respectively were observed . Arsenic was not detected in all the locations. Also, the values were statistically significant at p< 0.05 and found to be above the recommended WHO, FAO and USEPA permissible limits, Hence the soil associated with automobile activity within Jere area was found to be Polluted at time of analysis and not suitable for Agricultural purposes and might influence water quality if sinking of Borehole around the area is contemplated.The importance of this research, concerns two points of view: physical and educational.
- Young Researchers Forum
Session Introduction
Suzaimi bt. Johari
University of Malaya, Malaysia
Title: GC-MS study: Selective of microwave-assisted degradation of guaiacol glyceryl ether (GGE) to produce novel compounds in presence 1-butyl-3-methylimidazolium-based ionic liquids
Biography:
I'm a DPhil student in the Nanotechnology and Catalysis Centre (NANOCAT), University of Malaya working in a lubricant additives synthesis project in collaboration with Late Professor Dr.Sharifah Bee Abd.Hamid, Associate Professor Dr.Thorsten Heidelberg and Dr.Nader Khaligh Ghaffari. My research project is focused on the performance of additives synthesized as anti-wear in metal-working fluids. Before joining the group I obtained my M.Sc. degree in chemistry at Korea University of Science and Technology, South Korea. During this time I did my M.Sc. research project and worked as a research student in Clean Energy group focusing on the topic of synthesis of ionic liquids for SO2 removal.
Abstract:
Thermal stabilities and degradation behaviours of guaifenesin (guaiacol glycerol ether = GGE) were studied by means of the differential scanning calorimetry (DSC) and thermogravimetric (TG/DTG, in nitrogen atmosphere) analyses. To investigate the microwave-assisted (MW-assisted) pathways of guaiacol production from lignin, guaiacol glycerol ether (GGE), as a nonphenolic lignin model compound was exposed to microwave irradiation in the presence of three 1-butyl-3-methylimidazolium-based ionic liquids ([BMIm]-based ILs). GGE was subjected to microwave irradiation of 300 W in a batch reactor at a temperature of 200 °C, residence times of 5 minutes and air atmosphere. Based on the distribution of GGE conversion products identified by Gas chromatography/mass spectrometry (GC/MS), the most degradation pathways of GGE were discussed. The highest yields of 2-methoxyphenol (guaiacol), 1-(2-methoxy-phenoxy)-propan-2-one, and 2-hydroxymethyl-1,4-benzodioxan were obtained using [BMIm][HSO4]. [BMIm][HSO4] was recovered and reused for three times without any loss of catalytic activity. It was found that it is possible to increase the yield of guaiacol from GGE by controlling of the different parameters such as molar ratio of water to GGE, acidity and anion effect of [BMIm]-based IL, amount of [BMIm]-based IL, microwave power, and irradiation time.
Hogr Pirdawood
GTP Lab. Manager, Iraq
Title: Determination of Relationship between pH and Acid Loading in Gas Treatment Plant (Amine Unit):
Biography:
Hogr O. Pirdawood has him expertise in the Gas Treatment Plant (GTP) Laboratory and water Treatment Unit (RO System) with responsibility as laboratory manager. He has bachelor degree of chemistry and now he is a student of master at bingol University –Turkey, he has some other research about Petroleum and Gas.
Abstract:
A method for determining the concentration of acid-gases in an amine-regeneration system, such as is typically found in a natural gas refining plant or in this case: Acid gas coming from middle conversion, having a device for measuring the pH of the system from which the concentration of the acid-gases complexed and the amine can be calculated using an empirically-derived relationship between acid-gas concentration and pH. The research also includes a system for controlling amine regeneration based upon the above described determining method.. This area dominated by the balance between the neutralization of H2S, CO2 capture and reaction of the amine as alkaline species can be predicted the close relationship it has with the pH of the solution and acid loading
- Track 1: Geochemistry | Track 7: Physical Chemistry | Track 8: Theoretical Chemistry | Track 9: Materials and Polymer Chemistry | Track 12: Natural Product Chemistry
Session Introduction
Ryszard Jankowiak
Kansas State University, USA
Title: Excitonic structure and dynamics in various photosynthetic antenna protein complexes: hole-burning and modeling studies
Biography:
Ryszard Jankowiak is a Distinguished Professor of Chemistry and Ancillary Distinguished Professor of Physics at Kansas State University, Manhattan, KS, USA. He is also affiliated with the Photosynthetic Antenna Research Center, Washington University, Saint Louis, MO. He has published over 230 papers in various areas of physical chemistry, toxicology, carcinogenesis, physics, and biophysics. Currently he studies photosynthetic reaction centers and photosynthetic antenna pigment complexes (and their mutants) of green plants/algae and photosynthetic bacteria using solid-state low temperature (laser-based) spectroscopies and modeling. Research Gate: RG score = 43.19; 5,087 citations. Web of Science: H INDEX 39.
Abstract:
Low temperature (high-resolution) hole-burning (HB) spectroscopy and modeling studies of various optical spectra (using a non-Markovian reduced density matrix theory with a Nelder-Mead Simplex algorithm for parameter optimization) provide new insight into the excited state electronic structure and dynamics of several photosynthetic complexes. The following complexes will be discussed: 1) The reconstituted CP29 antenna complex and its A2 and B3 mutants of Photosystem II from spinach; 2) The B800-850 LH2 antenna complex from Alc. vinosum; and 3) The FMO antenna from Chlorobaculum tepidum (C. tepidum) and its Y16F mutant. The information gained provides new insight into disorder, excitonic structure, excitation energy transfer (EET) dynamics and mutation induced changes via site directed mutagenesis. The following issues will be addressed in more detail: i) mutation-induced shifts of pigment site energies; ii) altered excitonic structure and inhomogeneity of mutants; iii) spectral density and electron-phonon couplings; and iv) protein energy landscape. Better understanding of mutation-induced effects (at the molecular level) on the excitonic structure and EET processes in various photosynthetic proteins may help to design better artificial systems for future photovoltaic devices. Finally, challenges facing an understanding of the nature of low-energy excited states in CP29 and FMO mutants will be briefly addressed.
Zaraniah binti abdullah
University of Malaya, Malaysia
Title: BIOLOGICAL ACTIVE 1, 2, 4-TRIAZOLE DERIVATIVES.: SYNTHESIS AND BIOLOGICAL STUDIES
Biography:
Zanariah Abdullah has involved in organic synthesis for more than 20 years. Her passion in organic chemistry research stated with synthesis of fluorescent diazines, purines etc. She was further continue her resarch in application of florescent molecules in surface chemistry, ionic liquids and biological activities studies. She is currently Dean, Faculty of Science, University of Malaya, Kuala Lumpur, Malaysia
Abstract:
Ethyl 2-(ethylsulfanyl)benzoate was prepared by treating bromoethane with potassium carbonate and thiosalicyclic acid. Ethyl 2-(ethylsuffanyl)benzoate was then converted to ethyl 2-(ethylsulfanyl)benzohydrazide. A series of 1-acythiosemicarbazides were then prepared from to ethyl 2-(ethylsulfanyl)benzohydrazide , followed by cyclisation to form 1, 2, 4-triazole derivatives. The structures of intermediates and desired compounds were confirmed by spectroscopic analysis. In vitro DPPH radical ccavenging activities of 1, 2, 4-triazole derivatives were studied and will be reported.
Jinsena Hewage
University of Ruhuna, Srilanka
Title: Microcanonical Molecular Dynamics and Histogram Technique for Drawing Thermodynamics Parameters of Metallic Clusters
Biography:
Dr. Hewage has completed his PhD from University Maine, USA. He obtained his postdoctoral research experience from Australian National University and then served there as a visiting academic fellow. Currently, he is working as a senior lecturer in the department of Chemistry, University of Ruhuna, Sri Lanka. He mainly focuses on designing and characterizing solid state materials for a wide range of technological applications. He has published more than 10 research papers in reputed journals within last few years. He received NRC research awards in 2013 and 2014.
Abstract:
Temperature effects cause significant changes in the stability, structure and physical properties of finite system compared to the bulk. Therefore understanding the temperature effect is essential for any technological application. The fundamental quantity for studying the thermodynamics of a finite system is the classical density of states, Ω(E). Apart from the electronic properties obtained from electronic structure calculations, thermodynamic properties of clusters are mainly investigated by applying either the Monte Carlo techniques including the simulated annealing (MCSA) or constant temperature Molecular dynamics techniques (NVT ensembles). In comparison on these methods, electronic structure calculation is a challenging task for transition metal system due to the complexity of their potential energy landscape and the complexity increases further in bimetallic alloys. Similarly, considering the Monte Carlo method, and constant temperature MD simulations, calculation involves in the constant temperature despite the fact that an isolated cluster evolves at constant energy. Instead, the microcanonical ensemble (NVE ensemble) version of histogram method for determining densities of states or partition functions can be used to calculate the thermodynamic quantities, especially the heat capacity, Helmholtz free energy change and then the melting points of clusters.
Latona Dayo Felix
Osun State University, Nigeria
Title: The Kinetics and Mechanism of Alcohol Oxidation in Alkaline 12-Tungstocobaltate(III).
Biography:
Will be updated soon
Abstract:
The kinetics of the oxidation of alcohol by 12-tungstocobaltate(III) in alkaline medium as a function of oxidant, alcohol, OH-, ionic strength and temperature were studied spectrophotometrically at λmax 624nm under pseudo first order conditions. The kinetic study showed first order dependence on [CoIIIW12] , [Alcohol] and [OH-]. Ionic strength effect on the reaction showed that the charges on the ions at the rate determining step are opposite and the reaction between alcohols and 12-tungstocobaltate(III) in alkaline medium exhibits 1:1 stoichiometry. The oxidative products were identified by FTIR spectrocscopy. Salt effect was investigated by using NaNO3 and KCl. Michaelis-Menten plot showed the presence of an intermediate complex. Thermodynamic parameters were evaluated and a mechanism related to this reaction is proposed.
Agnieszka Galuszka
Jan Kochanowski University, Poland
Title: Identification and origin of geochemical anomalies of trace elements in soils
Biography:
AGNIESZKA GAÅUSZKA has been a full professor at the Institute of Chemistry, Jan Kochanowski University in Kielce since 2015. She has received her PhD and DSc degrees at the Faculty of Earth Sciences and Environmental Management of the University of WrocÅ‚aw in 2002 and 2008, respectively. Her research interests are: environmental geochemistry and biogeochemistry, stable isotope geochemistry, trace element geochemistry and green analytical chemistry. She has published 47 papers in scientific journals from the JCR database. She is an associate editor of the International Journal of Environmental Science and Technology.
Abstract:
Natural variability of trace element distribution in the environment and substantial input of these elements from anthropogenic sources cause a large heterogeneity of geochemical data sets even on local scales. This is clearly visible in different post-industrial areas where the abundances of elements in soils can range over several orders of magnitude within very short distances. The term “geochemical anomaly” refers to an element concentration which is not typical for samples collected in a given area. In environmental geochemistry, the anomalous concentrations of elements can be estimated by comparison of the element concentration in the sample with that in a reference material, such as the Post-Archean Standard Shale, the Earth’s crust (Clarke value) etc. This comparison can be used for calculation of many geochemical indices, for example Enrichment Factor (EF), Pollution Load Index (PLI), Geoaccumulation Index (GI). Geochemical anomalies can be separated from background values on the basis of statistical interpretation of results derived from environmental sample analyses. This study presents methodology of identification and interpretation of geochemical anomalies. Three datasets representing concentrations of As, Cd, Co, Cr, Cu, Ni, Pb and Zn in contaminated surface soils affected by multiple pollution sources were analysed. The element concentration ranges were divided into background and anomalous populations with the use of the iterative 2σ technique. The results showed that separation of geochemical anomalies from background concentrations can be helpful in selection of sites for detailed study on the origin of geochemical enrichments.
Zdzislaw M. Migaszewski
Jan Kochanowski University, Poland
Title: The use of stable isotopes and rare earth elements for solving environmental issues in acid mine drainage areas (south-central Poland)
Biography:
Zdzisław M. Migaszewski is a full professor at the Institute of Chemistry, Jan Kochanowski University in Kielce, Poland and a chairman of the Scientific Board of the Polish Geological Institute in Warsaw. He graduated from the Faculty of Geology, University of Warsaw. He received his Ph.D. and D.Sc. degrees from the AGH University of Technology in Cracow, and in 2009 was awarded a professorship of geology. His key interest is trace element and stable isotope geochemistry, mineralogy, sedimentary petrology and environmental analytical chemistry. He conducted some projects in close collaboration with the US Geological Survey and University of New Mexico.
Abstract:
WiÅ›niówka Mt., located approx. 5 km north-east of Kielce (south-central Poland), belongs to the most interesting acid mine drainage (AMD) areas throughout the world. It is built of Upper Cambrian terrigenous rock formations with pyrite and hematite-goethite mineralization zones. The principal raw material is quartzite/quartzitic sandstone that has been extracted for over a century leaving abandoned quarries, tailings piles, mineral settling tanks and acid water bodies. The generation of AMD waters is initiated by oxidation of predominant As-rich gel-pyrite whose secondary products trigger subsequent reactions with metal- and REE-bearing minerals. The AMD lakes, ponds and pools are characterized by different geochemistry which patterns mineralogy and lithology of country rocks. Of the AMD water bodies, the PodwiÅ›niówka acid pit lake is highlighted by a low pH in the range of 2.2–2.4 and high concentrations of sulfates, Al, As, Co, Cr, Cu, Fe, Ni and REE. However, some strongly acidic seeps and pools contain even higher contents of trace elements, for instance As and REE up to 370 and 17.6 mg/l, respectively. It is noteworthy that two acid pit lakes show different NASC-normalized REE concentration patterns with positive medium REE (PodwiÅ›niówka) and heavy REE (WiÅ›niówka) anomalies. Both S and O stable isotopes also display different delta values. These isotopes, REE, Y and some trace elements have been used as geochemical signatures for pinpointing localization of “hot” spots in the mining area as well as for determining a detrimental impact of acidic seeps and water bodies on neighboring rivers and farmer’s wells.
Acknowledgements: This study was funded by the National Science Center, a research grant #2015/17/B/ST10/02119.
Erwin Abdul Rahim
Tadulako University, Indonesia
Title: Synthesis, Characterization and Functions of Biomass Eugenol-Based Helical Polymers
Biography:
Erwin Abdul Rahim his expertise in synthesis, characterization and function of polymers and monomers from natural resources. His graduated from Kyoto University Faculty of engineering in 2005 under supervisor Prof.Dr.Toshio Masuda. His intensive research of optically active helical polymer based on eugenol and can be function as new smart material. Now his work as lecturer at Tadulako University, Central Sulawesi, Indonesia.
Abstract:
Eugenol (4-allyl-2-methoxyphenol) is a main component (80 wt-%) of clove oil, which is mainly produced in Indonesia. It is widely used as parfumes, antioxidants, drugs, foods, and taste items [1]. Eugenol is inexpensive natural resource, which carries reactive phenolic hydroxyl and allyl group, and is therefore expected as a key component for environmentally friendly organic synthetic chemistry. On the other hand, biopolymers, exemplified by proteins and DNA, adopt three-dimensionally well-ordered structures, which indispensable for the maintenance of living systems. Although the formation of such regular secondary structures is obviously entropically unfavorable, protein and DNA construct well-arranged helical structures, which are stabilized by hydrogen bonding. The energy of hydrogen bonding compensates the entropic cost. This is the stategy of nature to provide three-dimensionally well-ordered biopolymers [3-5]. The incorporation of naturally derived eugenol in addition to amino acids into polyacetylene are interesting from the view point of green, sustainable chemistry and polymerization chemistry. This paper is report the synthesis of polymers from eugenol as starting material and examination of polymerization with (nbd)Rh+[ɳ6-C6H5B-(C6H5)3] catalyst, which is effective to polymerization monosubstitutes acetylene. Characterization of polymers can be soluble in common organic solvent and can be form thermoresponsive material so can be function as smart or intelligent material
Abdelmahmod Saad
Red Sea University, Sudan
Title: Title Kinetics and Mechanism of Oxidation of some Amino Acids by Peroxodisulphate
Biography:
Dr. Abelmahmod has completed his PhD at the age of 30 years from Al Neelain University. He is the Dean, Faculty of Applied Sciences, Red Sea University, Port Sudan. He has published more than 10 papers in reputed journals.
Abstract:
In   this study  two  amino acids were chosen (DL.alanine,DL.serine) to determine  their effect  on dissociation of S2O8-2  ino. As  the reaction was very slow, Ag+ ino was used as a catalyst. The kinetics  measurement  showed  that  the reactions  in  both   cases  were  found  in the first order with  respect to  S2O8-2 , half  order with  respect   to  Ag+ and zero  order  with respect  to substrates . Mechanisms  were proposed   for  these  reactions  according  to  the  determined orders. The energy  of  activation  (AE) was  determined  for each  reaction, and  was found  to  by  30.50 k   JmoI-1  in case  of  DL. Serine   and   24.40 k JmoI-1  in case  of   DL. alanine.
Omer Abdalla Ahmed Hamdi
Alneelain University, Sudan
Title: Chemical constituents from the rhizomes of Curcuma zedoaria and assessment of their biological activities
Biography:
Omer Abdalla Ahmed Hamdi has completed his PhD from University Malaya, Malaysia. He is the director of Center of Natural Product Research and Drug Discovery,. He has published more than 12 papers in reputed journals and has been serving as supervisor for more than ten students for master and Ph.D program.
Abstract:
Phytochemical investigation of C. zedoaria resulted in the isolation of 21 compounds. Isolated compounds includes eighteen sesquiterpenes and three labdane diterpenes. Various chromatographic techniques were used for the detection and isolation of the compounds. Extensive spectroscopic methods including NMR, IR, UV, GC-MS, LC-MS were used for the identification of the isolated compounds. Isolated compounds were subjected to cytotoxicity, anti-oxidant and neuroprotective assays. Curcumenol and dehydrocurdione showed the highest protection (100%) against hydrogen peroxide induced oxidative stress in NG108-15 cells at the concentrations of 4 and 8 µM, respectively. In the oxygen radical antioxidant capacity assay, zerumbone epoxide showed the highest antioxidant activity with a Trolox equivalent (TE) of 35.41 µM per 100 µg of sample. In the MTT based cytotoxicity assay against four cancer cell lines (Ca 41 Ski, MCF-7, PC-3 and HT-29), curcumenone and curcumenol displayed strong antiproliferative activity (IC50 8.3 and 9.3µg/ml, respectively). A quantum chemical study was performed to investigate their relationship with cytotoxic activity and revealed that the dipole moment (µ), molecular volume (V), molecular area (A), polarizability (α) and hydrophobicity (log P) are the most important descriptors that influence the cytotoxic activity of the compounds under investigation. The two most active compounds; curcumenol and curcumenone were investigated for their binding to human serum albumin (HSA). The spectroflurometric analysis, in conjunction with molecular docking study suggested that both curcumenol and curcumenone could bind to binding sites I and II of HSA with intermediate affinity while site I was the preferred binding site for both molecules
- Track 2: Analytical Chemistry | Track 4: Environmental Chemistry | Track 7: Physical Chemistry | Track 14: Medicinal Chemistry | Track 17: Organic&Inorganic Chemistry
Session Introduction
Keiichi Kaneto
Osaka Institute of Technology, Japan
Title: High Power Lemon Juice Biofuel Cells using Conducting Polymer Catalysts
Biography:
Keiichi Kaneto completed his PhD, in 1977 Department of Electrical Engineering, Osaka University, Osaka, Japan and after 1977 Research Associate, Faculty of Engineering, Osaka University, Osaka, Japan In 1981 Postdoctoral Researcher, c/o Prof. Alan G. MacDiarmid, University of Pennsylvania, USA In 1988 worked as an Professor, Department of Computer Science and Systems, Kyushu Institute of Technology, Japan In 2017 Professor, Department of Biomedical Engineering, Osaka Institute of Technology, Japan 2007 Award of 1st European Scientific Network for Artificial Muscle, by European Science Foundation
Abstract:
Biofuel cells, which generate electric power from biomaterials such as glucose, alcohol, organic acids, are interested as a potential candidate for sustainable energy sources. The key material for biofuel cells is catalyst, which enhances chemical reaction and conversion efficiency to electric power. However, expensive rare metals like Pt are commonly used for the catalyst. We have been studying biofuel cells to explore the possibility to replace rare metals with functional materials. It was found that conducting polymers exhibited excellent performance as the anode catalyst.
In this talk, fabrication of biofuel cells, measurement and characterization of the electrical output using conducting polymer, poly(3,4-ethylenedioxythiophene) polystyrene sulfonate (PEDOT*PSS) as the anode catalyst are presented. The biofuels were ascorbic acid (AsA; known as vitamin C), citric acid (CitA), and lemon juice. The output powers based on these biofuels were compared.
The cells consisted of biofuel/current collector/PEDOT*PSS /Nafion® (N117)/Pt-B (black) cathode catalyst/current collector/air. For the current collector a low resistance CuNi-coated polymer cloth was used. The cell was a direct and passive type. Figure 1 shows cell performances of electromotive force (E0), maximum power (Pmax) and cell voltage (Emax) at the power maximum. The highest performance was obtained in the lemon juice cell having the Pmax about 4 mW/cm2 using PEDOT*PSS anode catalyst. Taking the fact that lemon juice contains approximately 0.03 M AsA and 0.3 M CitA, the Pmax of lemon juice cell is consistent with the sum of them. It is also noted that the cell performances of PEDOT*PSS was better than that of Pt-B for anode catalysts and 0.5 M AsA. The mechanism of high power CuNi/PEDOT*PSS anode cell will be discussed.