Pub Date : 2018-12-15DOI: 10.33422/irset.2018.12.30
W. Kruszelnicka
Grinding process is one of the major steps in production of powders for food, chemical and energy use. It still characterized by insufficient operation indicators such as efficiency, energy consumption, quality of product. Bering it in mind the aim of the work is to analyze the multi-disc grinding process of grainy biomass and search the dependence between operation parameters, like angular speed of cutting edge, feeding speed, and operation indicators. Research problem formulated as a question: how the angular speed of cutting discs affects real efficiency, energy consumption and grinding product quality? To resolve the problem an experiment on five disc mill was done considering variable disc angular speed and measuring in real time the changes of power demand and angular speed of each disc, product weight increase. The test allows to say that disc speed has an influence on the energy consumption and the product quality. It was observed that the lower disc speed the lower energy consumption and bigger the product particles. For real efficiency, based on the results obtained, the dependence on the angular discs speed cannot be clearly determined.
{"title":"ANALYSIS OF MULTI-DISC GRINDING PROCESS OF RICE GRAINS","authors":"W. Kruszelnicka","doi":"10.33422/irset.2018.12.30","DOIUrl":"https://doi.org/10.33422/irset.2018.12.30","url":null,"abstract":"Grinding process is one of the major steps in production of powders for food, chemical and energy use. It still characterized by insufficient operation indicators such as efficiency, energy consumption, quality of product. Bering it in mind the aim of the work is to analyze the multi-disc grinding process of grainy biomass and search the dependence between operation parameters, like angular speed of cutting edge, feeding speed, and operation indicators. Research problem formulated as a question: how the angular speed of cutting discs affects real efficiency, energy consumption and grinding product quality? To resolve the problem an experiment on five disc mill was done considering variable disc angular speed and measuring in real time the changes of power demand and angular speed of each disc, product weight increase. The test allows to say that disc speed has an influence on the energy consumption and the product quality. It was observed that the lower disc speed the lower energy consumption and bigger the product particles. For real efficiency, based on the results obtained, the dependence on the angular discs speed cannot be clearly determined.","PeriodicalId":401829,"journal":{"name":"Proceedings of The International conference on innovative research in Science Engineering & Technology","volume":"17 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126363459","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2018-12-15DOI: 10.33422/irset.2018.12.33
B. Dursun, Yunus Uzun
Induction motors are the most widely used motors because they have simple structures, low cost, easy to maintenance and they can be connected directly to the grid. But, the efficiency of these motors is partially low. Therefore, the improvement of 1% in the motor efficiency will result in an annual energy saving of 20 billion kWh. In this study, a 4 kW induction motor design with has IE3 energy efficiency is conducted using ANSYS RMxprt tool. In order to increase the efficiency, many changes such as the use of copper in the rotor, slot type and shape change have been realized. A motor efficiency of close to 90% is obtained. This is a very good value for an induction motor with a power rating of 4 kW.
{"title":"DESIGN OF HIGH EFFICIENCY 4 KW INDUCTION MOTOR","authors":"B. Dursun, Yunus Uzun","doi":"10.33422/irset.2018.12.33","DOIUrl":"https://doi.org/10.33422/irset.2018.12.33","url":null,"abstract":"Induction motors are the most widely used motors because they have simple structures, low cost, easy to maintenance and they can be connected directly to the grid. But, the efficiency of these motors is partially low. Therefore, the improvement of 1% in the motor efficiency will result in an annual energy saving of 20 billion kWh. In this study, a 4 kW induction motor design with has IE3 energy efficiency is conducted using ANSYS RMxprt tool. In order to increase the efficiency, many changes such as the use of copper in the rotor, slot type and shape change have been realized. A motor efficiency of close to 90% is obtained. This is a very good value for an induction motor with a power rating of 4 kW.","PeriodicalId":401829,"journal":{"name":"Proceedings of The International conference on innovative research in Science Engineering & Technology","volume":"125 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"117339900","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2018-12-15DOI: 10.33422/irset.2018.12.27
Busra Sahin, Betül Erol, Zafer Soybas, Sefa Şimşek, R. Melik
{"title":"EFFECT OF THE POLARIZATION OF TRIPOLAR ELECTRODES ON ELECTRICAL NERVE BLOCK IN-VIVO","authors":"Busra Sahin, Betül Erol, Zafer Soybas, Sefa Şimşek, R. Melik","doi":"10.33422/irset.2018.12.27","DOIUrl":"https://doi.org/10.33422/irset.2018.12.27","url":null,"abstract":"","PeriodicalId":401829,"journal":{"name":"Proceedings of The International conference on innovative research in Science Engineering & Technology","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"121288414","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2018-12-15DOI: 10.33422/irset.2018.12.31
E. Çatıker
The utility of amphiphilic block copolymers results from their chemical composition, which is characterized by a hydrophilic block that is chemically connected to a hydrophobic block. In aqueous solution, polymeric micelles are formed via the association of chains into nanoscopic structures. The self-assembly of amphiphilic block copolymers in aqueous solution is one of the most important methods to prepare nanocarriers for medical applications, such as drug delivery, biosensor, nanoreactor and gene delivery [1]. Because each amphiphilic block copolymer has unique properties depending upon the chemical compositions and their lengths, it is possible to choose appropriate block copolymers with certain length and composition for specific purposes. Hence, synthesis of new types of amphiphilic block copolymers and characterization of their selfassembly behavior are crucial to define a suitable application, Poly(ethylene glycol) (PEG) is the most common hydrophilic segment [2] preferred in block copolymers possibly due to its unique biocompatible and biodegradable properties. In this study, terminally hydroxyl PEG with average molar mass of 1450 gmol-1 was treated with equivalent amount of sodium hydride to convert hydroxy groups to sodium alkoxide. Assuming the PEG oligomer with alkoxy end-group as macroinitiator, anionic ring opening polymerization of some lactones with different ring sizes were performed to obtain ABA-type block copolymers. Copolymers with various compositions were obtained with high yields. Composition of the copolymers were determined by elementel analyses. Spectroscopic and thermal characterization of the copolymer were performed by using DSC, TGA, FTIR and 1H-NMR spectroscopy. Average molecular masses were determined by MALDIMS spectrometry.
{"title":"SYNTHESIS AND CHARACTERIZATION OF NOVEL ABA-TYPE AMPHIPHILIC BLOCK COPOLYMERS","authors":"E. Çatıker","doi":"10.33422/irset.2018.12.31","DOIUrl":"https://doi.org/10.33422/irset.2018.12.31","url":null,"abstract":"The utility of amphiphilic block copolymers results from their chemical composition, which is characterized by a hydrophilic block that is chemically connected to a hydrophobic block. In aqueous solution, polymeric micelles are formed via the association of chains into nanoscopic structures. The self-assembly of amphiphilic block copolymers in aqueous solution is one of the most important methods to prepare nanocarriers for medical applications, such as drug delivery, biosensor, nanoreactor and gene delivery [1]. Because each amphiphilic block copolymer has unique properties depending upon the chemical compositions and their lengths, it is possible to choose appropriate block copolymers with certain length and composition for specific purposes. Hence, synthesis of new types of amphiphilic block copolymers and characterization of their selfassembly behavior are crucial to define a suitable application, Poly(ethylene glycol) (PEG) is the most common hydrophilic segment [2] preferred in block copolymers possibly due to its unique biocompatible and biodegradable properties. In this study, terminally hydroxyl PEG with average molar mass of 1450 gmol-1 was treated with equivalent amount of sodium hydride to convert hydroxy groups to sodium alkoxide. Assuming the PEG oligomer with alkoxy end-group as macroinitiator, anionic ring opening polymerization of some lactones with different ring sizes were performed to obtain ABA-type block copolymers. Copolymers with various compositions were obtained with high yields. Composition of the copolymers were determined by elementel analyses. Spectroscopic and thermal characterization of the copolymer were performed by using DSC, TGA, FTIR and 1H-NMR spectroscopy. Average molecular masses were determined by MALDIMS spectrometry.","PeriodicalId":401829,"journal":{"name":"Proceedings of The International conference on innovative research in Science Engineering & Technology","volume":"8 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125533542","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2018-12-15DOI: 10.33422/irset.2018.12.28
W. Daniel, M. Radonjic
As complexity of wells, environmental regulations and the need to be as economically efficient as possible in the petroleum industry increases, it is more prevalent than ever to ensure and maintain wellbore integrity. The purpose of the cement sheath is to maintain wellbore integrity by providing total isolation between surrounding formations and the wellbore. One factor opposing the purpose of a cement sheath is hydrocarbon migration through a micro-annulus located at either the cement/casing interface or the cement/formation interface. Hydrocarbon migration hazards can be as minor as a few psi increase at surface to total blowout which in turn can be timely to repair, if possible, and create unwanted environmental concerns which ultimately effect economic returns. This study focuses on the use of a wellbore cement additive: Gilsonite as a potential agent in the mitigation of micro-annular flow through its unique affinity to hydrocarbons. Gilsonite’s affinity and potential to absorb hydrocarbons in the cement matrix is analyzed thoroughly through microstructural analysis of hydrocarbon interaction with Gilsonite grains. The goal of this project is to provide a proof of concept for further microstructural analysis of Gilsonite’s ability to mitigate microannular flow. To accomplish this, experimentation was broken into two sperate phases. Phase 1 consists of experimentation on pure Gilsonite to gauge if there was an affinity between Gilsonite and hydrocarbons, while Phase 2 consists of experimentation on Gilsonite rich cement.
{"title":"APPLICATION OF GEOMIMICRY TO ENGINEERING PROBLEMS:GILSONITE AS A SOLUTION TO LEAKY WELLBORES","authors":"W. Daniel, M. Radonjic","doi":"10.33422/irset.2018.12.28","DOIUrl":"https://doi.org/10.33422/irset.2018.12.28","url":null,"abstract":"As complexity of wells, environmental regulations and the need to be as economically efficient as possible in the petroleum industry increases, it is more prevalent than ever to ensure and maintain wellbore integrity. The purpose of the cement sheath is to maintain wellbore integrity by providing total isolation between surrounding formations and the wellbore. One factor opposing the purpose of a cement sheath is hydrocarbon migration through a micro-annulus located at either the cement/casing interface or the cement/formation interface. Hydrocarbon migration hazards can be as minor as a few psi increase at surface to total blowout which in turn can be timely to repair, if possible, and create unwanted environmental concerns which ultimately effect economic returns. This study focuses on the use of a wellbore cement additive: Gilsonite as a potential agent in the mitigation of micro-annular flow through its unique affinity to hydrocarbons. Gilsonite’s affinity and potential to absorb hydrocarbons in the cement matrix is analyzed thoroughly through microstructural analysis of hydrocarbon interaction with Gilsonite grains. The goal of this project is to provide a proof of concept for further microstructural analysis of Gilsonite’s ability to mitigate microannular flow. To accomplish this, experimentation was broken into two sperate phases. Phase 1 consists of experimentation on pure Gilsonite to gauge if there was an affinity between Gilsonite and hydrocarbons, while Phase 2 consists of experimentation on Gilsonite rich cement.","PeriodicalId":401829,"journal":{"name":"Proceedings of The International conference on innovative research in Science Engineering & Technology","volume":"235 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115575989","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2018-12-15DOI: 10.33422/irset.2018.12.34
Georgi L. Georgiev, M. Staneva, P. Petrov
ABSTARCT In the past few years, graphene and graphene based materials have attracted great interest due to their unique electronic, mechanical, optical, and thermal properties. Graphene oxide (GO) has all the advantages of graphene, but, unlike it, can be dispersed well in water. Polymeric cryogels are fascinating soft materials with wide applications in drug delivery, tissue engineering, chromatography, etc. Nanocomposite cryogel materials from natural polysaccharides and GO are attractive because they possess a set of favourable properties like biodegradability and biocompatibility, high porosity and water uptake, improved mechanical strength and electrical conductivity, and could broad the range of applications in the area of medicine and biotechnology. In this contribution we report on the fabrication of novel supermacroporous nanocomposite cryogels based on hydroxpropylcellulose (HPC) and graphene oxide by two different methods. The first method involves mixing of aqueous dispersion of GO and solution of HPC, freezing and photo-crosslinking. In this case, GO is embedded into the cryogel walls. In the second method, a pre-formed and lyophilized HPC cryogel is immersed in dispersion of GO and then frozen and lyophilized. Thus GO is deposited on the inner surface of cryogel. The second method allows the preparation of super-macroporous nanocomposites of a higher GO content, better control of physico-mechanical properties and enhanced electrical conductivity (3 orders of magnitude higher than pure HPC) as compared to the nanocomposite cryogels made by the first method.
{"title":"PREPARATION AND CHARACTERIZATION OF HYDROXYPROPYLCELLULOSE/GRAPHENE OXIDE NANOCOMPOSITE MACROPOROUS CRYOGELS","authors":"Georgi L. Georgiev, M. Staneva, P. Petrov","doi":"10.33422/irset.2018.12.34","DOIUrl":"https://doi.org/10.33422/irset.2018.12.34","url":null,"abstract":"ABSTARCT In the past few years, graphene and graphene based materials have attracted great interest due to their unique electronic, mechanical, optical, and thermal properties. Graphene oxide (GO) has all the advantages of graphene, but, unlike it, can be dispersed well in water. Polymeric cryogels are fascinating soft materials with wide applications in drug delivery, tissue engineering, chromatography, etc. Nanocomposite cryogel materials from natural polysaccharides and GO are attractive because they possess a set of favourable properties like biodegradability and biocompatibility, high porosity and water uptake, improved mechanical strength and electrical conductivity, and could broad the range of applications in the area of medicine and biotechnology. In this contribution we report on the fabrication of novel supermacroporous nanocomposite cryogels based on hydroxpropylcellulose (HPC) and graphene oxide by two different methods. The first method involves mixing of aqueous dispersion of GO and solution of HPC, freezing and photo-crosslinking. In this case, GO is embedded into the cryogel walls. In the second method, a pre-formed and lyophilized HPC cryogel is immersed in dispersion of GO and then frozen and lyophilized. Thus GO is deposited on the inner surface of cryogel. The second method allows the preparation of super-macroporous nanocomposites of a higher GO content, better control of physico-mechanical properties and enhanced electrical conductivity (3 orders of magnitude higher than pure HPC) as compared to the nanocomposite cryogels made by the first method.","PeriodicalId":401829,"journal":{"name":"Proceedings of The International conference on innovative research in Science Engineering & Technology","volume":"22 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126581510","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2018-12-15DOI: 10.33422/irset.2018.12.25
İlknur Akıner, M. E. Akıner
Procurement system is the invisible part of the construction project organizations and has an important effect to maximize the project performance. It rather concerns the management of the construction project process and participants to reach the common goals of completing the project under the budget, quality, and timeframes. There is a wide range of procurement systems that can be used to manage the construction of a project. Design-Build, Traditional and Turnkey procurement systems, which contain Lump Sum, Unit price and Cost plus a fee contract types and methods, are mostly used procurement systems in the Turkish construction industry. Each of these systems has its advantages and disadvantages which the owner must consider before the project begins. The evaluation of procurement systems and to select the right system is a complex decision problem and depends on many factors for the owner. Factors that the owner should consider are the complexity of the project, the relative importance of budget or schedule and the in-house expertise the owner has to manage the project. Within this study, a survey was conducted with some of the construction project owners in Turkey. The objective of this study is the empirical performance-based investigation of the procurement systems mostly used in the Turkish construction industry today. Another goal is to determine the influences of these procurement systems on project cost, time and quality factors in Turkish construction sector and to determine the extent of these systems that are covering the needs of project owner (client).
{"title":"THE INFLUENCE AND THE COMPARISON OF TURKISH PROCUREMENT SYSTEMS ON CONSTRUCTION PROJECT PERFORMANCE","authors":"İlknur Akıner, M. E. Akıner","doi":"10.33422/irset.2018.12.25","DOIUrl":"https://doi.org/10.33422/irset.2018.12.25","url":null,"abstract":"Procurement system is the invisible part of the construction project organizations and has an important effect to maximize the project performance. It rather concerns the management of the construction project process and participants to reach the common goals of completing the project under the budget, quality, and timeframes. There is a wide range of procurement systems that can be used to manage the construction of a project. Design-Build, Traditional and Turnkey procurement systems, which contain Lump Sum, Unit price and Cost plus a fee contract types and methods, are mostly used procurement systems in the Turkish construction industry. Each of these systems has its advantages and disadvantages which the owner must consider before the project begins. The evaluation of procurement systems and to select the right system is a complex decision problem and depends on many factors for the owner. Factors that the owner should consider are the complexity of the project, the relative importance of budget or schedule and the in-house expertise the owner has to manage the project. Within this study, a survey was conducted with some of the construction project owners in Turkey. The objective of this study is the empirical performance-based investigation of the procurement systems mostly used in the Turkish construction industry today. Another goal is to determine the influences of these procurement systems on project cost, time and quality factors in Turkish construction sector and to determine the extent of these systems that are covering the needs of project owner (client).","PeriodicalId":401829,"journal":{"name":"Proceedings of The International conference on innovative research in Science Engineering & Technology","volume":"18 4 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125849555","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2018-12-15DOI: 10.33422/irset.2018.12.32
M. A. Alkhafaji, Yunus Uzun
In recent years, the synchronous reluctance motor SynRM has become an important part in many electrical and mechanical industries. The SynRM has several characteristics and features which made it different from other types of motor that previously used in many industries in the same field. This paper presents the modelling, analysing and simulation of synchronous reluctance motor (SynRM) drive system, and present a part of differences in feature and design between the SynRM and other reluctance motors. The SynRM mathematical fundamental has formed by using the dynamic equations of the motor. Technically, the d-q transformation strategy has been employed for the vector control method of the SynRM to convert the three-phase voltage into two-phase. Space Vector Pulse Width Modulation technology has used to modelling and simulation the SynRM model without rotors cage or magmatic material. The six sectors of mechanical SynRM have converted to six MOSFET transistors and electrical power supply to represent the fundamental of three-phase voltage source. Hence, the MATLAB Simulink environment has used to simulate and modify the SynRM model and represented the direct and quadratic axes voltages, and the feature of SynRM modelled to include speed and torque with different frequencies and load conditions.
{"title":"DESIGN AND ANALYSIS OF SYNCHRONOUS RELUCTANCE MOTOR (SynRM) USING MATLAB SIMULINK","authors":"M. A. Alkhafaji, Yunus Uzun","doi":"10.33422/irset.2018.12.32","DOIUrl":"https://doi.org/10.33422/irset.2018.12.32","url":null,"abstract":"In recent years, the synchronous reluctance motor SynRM has become an important part in many electrical and mechanical industries. The SynRM has several characteristics and features which made it different from other types of motor that previously used in many industries in the same field. This paper presents the modelling, analysing and simulation of synchronous reluctance motor (SynRM) drive system, and present a part of differences in feature and design between the SynRM and other reluctance motors. The SynRM mathematical fundamental has formed by using the dynamic equations of the motor. Technically, the d-q transformation strategy has been employed for the vector control method of the SynRM to convert the three-phase voltage into two-phase. Space Vector Pulse Width Modulation technology has used to modelling and simulation the SynRM model without rotors cage or magmatic material. The six sectors of mechanical SynRM have converted to six MOSFET transistors and electrical power supply to represent the fundamental of three-phase voltage source. Hence, the MATLAB Simulink environment has used to simulate and modify the SynRM model and represented the direct and quadratic axes voltages, and the feature of SynRM modelled to include speed and torque with different frequencies and load conditions.","PeriodicalId":401829,"journal":{"name":"Proceedings of The International conference on innovative research in Science Engineering & Technology","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"131064908","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2018-12-15DOI: 10.33422/irset.2018.12.29
Sümeyye Altürk, D. Avcı, F. Sonmez, Ö. Tamer, A. Başoğlu, Y. Atalay
The Ni(II) complex of 6–methylpyridine–2–carboxylic acid and its mixed ligand complex with 22'-bipyridiyl were synthesized and characterized by XRD, LC-MS/MS, FT–IR and UV–Vis spectroscopies. The α−glucosidase inhibition activity of the synthesized complexes were determined by IC50 values. The optimized molecular structure and vibrational frequencies were obtained by using Density Functional Theory (DFT)/HSEh1PBE/6–311G(d,p)/LanL2DZ level. In order to investigate electronic spectral properties, TD–DFT calculations in ethanol solvent and gas phase were fulfilled. The NLO parameters and FMO energies of complexes were calculated by using HSEh1PBE/6–311G(d,p) level. Finally, to show interactions of the binding site of the target protein (the template structure S. cerevisiae isomaltase), the docking study of complexes were performed. ACKNOWLEDGEMENTS This work was supported by the Scientific and Technological Research Council of Turkey (TÜBİTAK) (Project Number: MFAG–117F235).
{"title":"SYNTHESIS, SPECTRAL CHARACTERIZATION,GLUCOSIDASE INHIBITION AND TD/DFT STUDY OF THE Ni(II) COMPLEXES","authors":"Sümeyye Altürk, D. Avcı, F. Sonmez, Ö. Tamer, A. Başoğlu, Y. Atalay","doi":"10.33422/irset.2018.12.29","DOIUrl":"https://doi.org/10.33422/irset.2018.12.29","url":null,"abstract":"The Ni(II) complex of 6–methylpyridine–2–carboxylic acid and its mixed ligand complex with 22'-bipyridiyl were synthesized and characterized by XRD, LC-MS/MS, FT–IR and UV–Vis spectroscopies. The α−glucosidase inhibition activity of the synthesized complexes were determined by IC50 values. The optimized molecular structure and vibrational frequencies were obtained by using Density Functional Theory (DFT)/HSEh1PBE/6–311G(d,p)/LanL2DZ level. In order to investigate electronic spectral properties, TD–DFT calculations in ethanol solvent and gas phase were fulfilled. The NLO parameters and FMO energies of complexes were calculated by using HSEh1PBE/6–311G(d,p) level. Finally, to show interactions of the binding site of the target protein (the template structure S. cerevisiae isomaltase), the docking study of complexes were performed. ACKNOWLEDGEMENTS This work was supported by the Scientific and Technological Research Council of Turkey (TÜBİTAK) (Project Number: MFAG–117F235).","PeriodicalId":401829,"journal":{"name":"Proceedings of The International conference on innovative research in Science Engineering & Technology","volume":"283 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132564296","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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