Pub Date : 2016-06-11DOI: 10.4172/2161-0398.1000220
Yu-Sen Yang, Chun-Yen Chen, ChunXu Chen
This study seeks to optimize injection molding and sintering process parameters obtained using the Taguchi method. Mold flow analysis software was applied to simulate the injection molding process to improve mold design. Shrinkage rates of critical dimensions from both injection molding and sintering process analysis could be used to improve mold design. Density, Vickers hardness, and shrinkage rates of zirconia dental implants were carried out on the sintered dental implants, respectively, using Archimedes principle, Vickers hardness tester, and optical projectors. The simulation results show that the injection molding process with optimal parameters significantly reduced shrinkage rates as compared to results using the initial parameters. On the other hand, the measurement results show that zirconia dental implants sintered with optimal design parameters could achieve a density of 5.96 g/cm3, a hardness of Hv 1489 ± 131, and a shrinkage rate of 20.82 ± 0.70%. Analysis of variance (ANOVA) results revealed that the most influential factor was the sintering temperature, which was thus used as the key variable in the subsequent single factorial experiments. With sintering temperatures controlled between 1400°C to 1500°C, density increased from 5.96 g/cm3 to 6.00 g/cm3, hardness from 1489 ± 131 to 1489 ± 71, and the shrinkage rate from 20.82 ± 0.70% to 21.34 ± 0.20%.
{"title":"Effect of Injection Molding and Sintering Behaviors on Y-TZP Dental Implants","authors":"Yu-Sen Yang, Chun-Yen Chen, ChunXu Chen","doi":"10.4172/2161-0398.1000220","DOIUrl":"https://doi.org/10.4172/2161-0398.1000220","url":null,"abstract":"This study seeks to optimize injection molding and sintering process parameters obtained using the Taguchi method. Mold flow analysis software was applied to simulate the injection molding process to improve mold design. Shrinkage rates of critical dimensions from both injection molding and sintering process analysis could be used to improve mold design. Density, Vickers hardness, and shrinkage rates of zirconia dental implants were carried out on the sintered dental implants, respectively, using Archimedes principle, Vickers hardness tester, and optical projectors. The simulation results show that the injection molding process with optimal parameters significantly reduced shrinkage rates as compared to results using the initial parameters. On the other hand, the measurement results show that zirconia dental implants sintered with optimal design parameters could achieve a density of 5.96 g/cm3, a hardness of Hv 1489 ± 131, and a shrinkage rate of 20.82 ± 0.70%. Analysis of variance (ANOVA) results revealed that the most influential factor was the sintering temperature, which was thus used as the key variable in the subsequent single factorial experiments. With sintering temperatures controlled between 1400°C to 1500°C, density increased from 5.96 g/cm3 to 6.00 g/cm3, hardness from 1489 ± 131 to 1489 ± 71, and the shrinkage rate from 20.82 ± 0.70% to 21.34 ± 0.20%.","PeriodicalId":94103,"journal":{"name":"Journal of physical chemistry & biophysics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2016-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83309188","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 : 2016-06-11DOI: 10.4172/2161-0398.1000219
O. Chidi, Okoye Ifedi Peter
The kinetics and mechanism of an eco-benign clay catalyst employed in the production of ethyl acetate was evaluated. The results obtained revealed that the conversion of acetic acid was dependent on the catalyst weight, reaction time and mole ratio. The maximum conversion of acetic acid was obtained for mole ratio (acid: alcohol) of 2:1 with optimum catalyst weight of 2.0g at a reaction temperature of 363K and 150 minutes time on-stream. Kinetic studies revealed that the esterification reaction was second-order and followed the single step Eley-Rideal reaction mechanism.
{"title":"Kinetics and Mechanism of Ethyl Acetate Production Using Eco-Benign Solid Catalyst","authors":"O. Chidi, Okoye Ifedi Peter","doi":"10.4172/2161-0398.1000219","DOIUrl":"https://doi.org/10.4172/2161-0398.1000219","url":null,"abstract":"The kinetics and mechanism of an eco-benign clay catalyst employed in the production of ethyl acetate was evaluated. The results obtained revealed that the conversion of acetic acid was dependent on the catalyst weight, reaction time and mole ratio. The maximum conversion of acetic acid was obtained for mole ratio (acid: alcohol) of 2:1 with optimum catalyst weight of 2.0g at a reaction temperature of 363K and 150 minutes time on-stream. Kinetic studies revealed that the esterification reaction was second-order and followed the single step Eley-Rideal reaction mechanism.","PeriodicalId":94103,"journal":{"name":"Journal of physical chemistry & biophysics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2016-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73531420","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}
This article considers theoretical questions regarding the role of intramolecular isotopes ratios in living organism functioning, human body in particular. Special attention is given to isotopes fractioning of carbon in human body as the most studied. The aim of this investigation is to identify and to study strategic connection between features of metabolic transformations in human body, its functional status and intramolecular isotopes ratios, peculiar to this organism. The relation between intramolecular isotopes ratios values of human body separate tissues and human organism functional status is observed.
{"title":"Biogenic Chemical Elements Isotope Ratios in Living Organism as a New Potential Indicator of Physiological State","authors":"Lysenko Ob, Radchuk Vv, Zabulonov Yl, Shatilo Vb, Demihov Vv, Lysenko Mo","doi":"10.4172/2161-0398.1000218","DOIUrl":"https://doi.org/10.4172/2161-0398.1000218","url":null,"abstract":"This article considers theoretical questions regarding the role of intramolecular isotopes ratios in living organism functioning, human body in particular. Special attention is given to isotopes fractioning of carbon in human body as the most studied. The aim of this investigation is to identify and to study strategic connection between features of metabolic transformations in human body, its functional status and intramolecular isotopes ratios, peculiar to this organism. The relation between intramolecular isotopes ratios values of human body separate tissues and human organism functional status is observed.","PeriodicalId":94103,"journal":{"name":"Journal of physical chemistry & biophysics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2016-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90320533","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 : 2016-05-12DOI: 10.4172/2161-0398.1000217
Gole Jl, W. Laminack
We present a short review and novel approach for the construction of conductometric sensors demonstrating considerably higher sensitivities than traditional metal oxide sensors. Sensor platforms do not require film-based technology, operate at room temperature, and can be obtained without the use of time consuming self-assembly processes. A combined nanopore coated micro-porous array, is deposited with nanostructure directing acidic metal oxide island sites which vary in their Lewis acidity, decorate the micropores, and control an electron transduction process. The interaction of analytes with these island sites varies in a predictable manner and can be modified through in-situ functionalization of their Lewis acidity through formation of the oxynittrides or oxysulfides. Microporesallow rapid Fickian diffusion of the analytes to the active nanostructured island sites whose reversible interaction with the analyte dominates the sensor response. We require only that the island sites be deposited at sufficiently low concentration so as not to interact electronically with each other. Highly accurate repeat placement of the nanostructured island depositions is not required. The nanoporous walls of the microarray act as a phase match for the deposition of a diversity of nanostructures that are selected for deposition from a variety of solution-based sources and the forgiving deposition process requires a minimum of energy consumption and time. Comparisons to a variety of metal oxide systems are considered. Observed sensitivities and the sensor system reversibility can be predicted from the recently developing IHSAB model.
{"title":"New Generation Devices for Gas (Liquid) Sensing","authors":"Gole Jl, W. Laminack","doi":"10.4172/2161-0398.1000217","DOIUrl":"https://doi.org/10.4172/2161-0398.1000217","url":null,"abstract":"We present a short review and novel approach for the construction of conductometric sensors demonstrating considerably higher sensitivities than traditional metal oxide sensors. Sensor platforms do not require film-based technology, operate at room temperature, and can be obtained without the use of time consuming self-assembly processes. A combined nanopore coated micro-porous array, is deposited with nanostructure directing acidic metal oxide island sites which vary in their Lewis acidity, decorate the micropores, and control an electron transduction process. The interaction of analytes with these island sites varies in a predictable manner and can be modified through in-situ functionalization of their Lewis acidity through formation of the oxynittrides or oxysulfides. Microporesallow rapid Fickian diffusion of the analytes to the active nanostructured island sites whose reversible interaction with the analyte dominates the sensor response. We require only that the island sites be deposited at sufficiently low concentration so as not to interact electronically with each other. Highly accurate repeat placement of the nanostructured island depositions is not required. The nanoporous walls of the microarray act as a phase match for the deposition of a diversity of nanostructures that are selected for deposition from a variety of solution-based sources and the forgiving deposition process requires a minimum of energy consumption and time. Comparisons to a variety of metal oxide systems are considered. Observed sensitivities and the sensor system reversibility can be predicted from the recently developing IHSAB model.","PeriodicalId":94103,"journal":{"name":"Journal of physical chemistry & biophysics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2016-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85167295","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 : 2016-05-08DOI: 10.4172/2161-0398.1000216
N. Chihaoui, B. Hamdi, A. B. Salah, R. Zouari
The present paper aims to develop the synthesis, crystal structure, and properties of Zn(C7H5NO4)Cl2.H2O compound investigated by vibrational study, thermal analysis and dielectric measurements. The single crystal X-ray diffraction investigation reveals that the studied compound crystallizes in the orthorhombic system with space group Pnna according to the following lattice parameters: a=13.8816(4) A, b=10.3602(3) A, c=7.8967(2) A and Z=4. The presence of the key functional groups in the molecule has already been confirmed by Fourier transform infrared (FT-IR) analysis. Thermal behaviour of this sample, studied by TGA and DSC exhibit two anomalies at 345 and 386K. The hydrogen bonding plays a significant role in the stabilization of the structure. Such a parallel displaced structure has also a contribution from π-σ non-covalent interactions (C-H…π and C-O…π stacking between the C-H groups and C-O groups with the benzene rings). The dipicolonic acid (2,6-pyridinedicarboxylic acid) ligand coordinated to the Zn(II) ions through a nitrogen atom of pyridine ring, two oxygen atom of carboxylic group and two chloride atoms as a tridentate ligand. Hirshfeld surface analysis of the intermolecular interactions in crystal structures have been used to scrutinize molecular shapes. The characteristic features of 13C solid state CP/MAS-NMR applications showed five isotropic resonances, confirming the structure determined by XRD. Its dielectric properties as a function of temperature and frequency in the ranges 298-418 K and 209 Hz-5 MHz are measured. The Cole-Cole (Z’ versus Z’’) plots are analyzed by fitting to an equivalent electrical circuit model, consisting of a circuit elements; grain, grain boundary, electrode-solid interface polarization and Warburg resistance. Each circuit elements is formed by a parallel combination resistance (R) and constant phase elements (CPE). The grain conductivity as well as the activation energy depending to of temperature, via impedance technique, besides the activation energy due to relaxation time as function of temperature, have been studied showing two anomalies, which are also detected by the TGA and DSC. They could be explained by not only a phase transition and reorientation hopping between equivalent sites at 343K but also the disappearance of the water molecule of the structure at 388K.
本文旨在研究Zn(C7H5NO4)Cl2的合成、晶体结构和性能。通过振动研究、热分析和介电测量对H2O化合物进行了研究。单晶x射线衍射研究表明，化合物在具有空间群Pnna的正交晶系中结晶，晶格参数为:a=13.8816(4) a, b=10.3602(3) a, c=7.8967(2) a, Z=4。分子中关键官能团的存在已经被傅里叶变换红外(FT-IR)分析证实。通过热重分析和差热分析，样品的热行为在345和386K处出现了两个异常。氢键对结构的稳定起着重要的作用。这种平行位移结构也是π-σ非共价相互作用(C-H和C-O基团与苯环之间的C-H…π和C-O…π堆积)的贡献。二吡啶酸(2,6-吡啶二羧酸)配体通过吡啶环上的一个氮原子、羧基上的两个氧原子和两个氯原子作为三齿配体与Zn(II)离子配位。赫希菲尔德表面分析的分子间相互作用的晶体结构已被用于审查分子的形状。13C固态CP/MAS-NMR应用的特征表现为5个各向同性共振，证实了XRD测定的结构。在298 ~ 418k和209 hz ~ 5mhz范围内测量了其介电特性与温度和频率的关系。通过拟合等效电路模型来分析Cole-Cole (Z ' vs . Z ")图，该电路模型由一个电路元件组成;晶粒、晶界、电极-固体界面极化和Warburg电阻。每个电路元件由并联组合电阻(R)和恒相元件(CPE)组成。通过阻抗技术研究了晶粒电导率和随温度变化的活化能，以及弛豫时间随温度变化的活化能，并通过热重分析和差热分析发现了两个异常现象。它们不仅可以用343K时等效位之间的相变和重定向跳跃来解释，而且可以用388K时结构中的水分子的消失来解释。
{"title":"A New Mononuclear Complex: Structure, Vibrational (FT-IR and Raman),Hirshfeld Surfaces Analysis, Electrical Properties and Equivalent Circuit","authors":"N. Chihaoui, B. Hamdi, A. B. Salah, R. Zouari","doi":"10.4172/2161-0398.1000216","DOIUrl":"https://doi.org/10.4172/2161-0398.1000216","url":null,"abstract":"The present paper aims to develop the synthesis, crystal structure, and properties of Zn(C7H5NO4)Cl2.H2O compound investigated by vibrational study, thermal analysis and dielectric measurements. The single crystal X-ray diffraction investigation reveals that the studied compound crystallizes in the orthorhombic system with space group Pnna according to the following lattice parameters: a=13.8816(4) A, b=10.3602(3) A, c=7.8967(2) A and Z=4. The presence of the key functional groups in the molecule has already been confirmed by Fourier transform infrared (FT-IR) analysis. Thermal behaviour of this sample, studied by TGA and DSC exhibit two anomalies at 345 and 386K. The hydrogen bonding plays a significant role in the stabilization of the structure. Such a parallel displaced structure has also a contribution from π-σ non-covalent interactions (C-H…π and C-O…π stacking between the C-H groups and C-O groups with the benzene rings). The dipicolonic acid (2,6-pyridinedicarboxylic acid) ligand coordinated to the Zn(II) ions through a nitrogen atom of pyridine ring, two oxygen atom of carboxylic group and two chloride atoms as a tridentate ligand. Hirshfeld surface analysis of the intermolecular interactions in crystal structures have been used to scrutinize molecular shapes. The characteristic features of 13C solid state CP/MAS-NMR applications showed five isotropic resonances, confirming the structure determined by XRD. Its dielectric properties as a function of temperature and frequency in the ranges 298-418 K and 209 Hz-5 MHz are measured. The Cole-Cole (Z’ versus Z’’) plots are analyzed by fitting to an equivalent electrical circuit model, consisting of a circuit elements; grain, grain boundary, electrode-solid interface polarization and Warburg resistance. Each circuit elements is formed by a parallel combination resistance (R) and constant phase elements (CPE). The grain conductivity as well as the activation energy depending to of temperature, via impedance technique, besides the activation energy due to relaxation time as function of temperature, have been studied showing two anomalies, which are also detected by the TGA and DSC. They could be explained by not only a phase transition and reorientation hopping between equivalent sites at 343K but also the disappearance of the water molecule of the structure at 388K.","PeriodicalId":94103,"journal":{"name":"Journal of physical chemistry & biophysics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2016-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77090377","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 : 2016-04-25DOI: 10.4172/2161-0398.1000215
M. Deans
A recently reported ferroelectric phase transition at 72 Kelvin in ice XIc corroborates an observation made as a physics student in 1967. I attributed anomalous readings from a silica helium thermometer suspended in liquid nitrogen to distortion by ice crystallizing on its surface, suggesting a proton ordered tetragonal variant, ice It of cubic ice had changed shape during an ordering phase transition releasing latent energy as 'ice light', wavelength λ ~ 4 μ infrared laser light. My research into its consequences reinterprets the axiomatic basis of science, affording simple accounts of familiar topics. Ice light emitted from pools of nitrogen on Earth's poles during a primordial ice age was multiply reflected in cloud and surface ice, creating DNA, including tRNA analogue 'transport DNAs', tDNAs by selectively polymerizing nucleotides in equatorial waters. They constituted H-bond lined pores through proto-cell membranes, polarization by ice light created an electric field propelling ionic substrate-trace element complexes constituting life’s molecular vocabulary inside. 64 tDNA variants orchestrate biochemistry, supplementing trace elements prevents mental and physical maladies. ‘Minions’ arose from comparing cybernetics, psychology and traditional wisdom. 189 flat anti-parallel β-sheet hairpins with alternate neutral and basic amino acid residues bind 1,701 DNA base pairs, forming a nine-coil abacus. Minions probably evolved to pack DNA in chromosomes for accurate replication. 189*18 arrays of proton ordered H-bonds connecting amino acid ω-amines to DNA phosphates control metabolism, are biological clocks and 'chips in the brain. When sarcomeres of striated muscle contract, they form ½-wave resonant cavities for λ, exemplifying biological energy coupling. Protons accelerated along minion tunnels drive molecular scale nuclear fusion, if coupled they could resolve global warming. Artificial intelligence modeled on minions would satisfy Turing's vision, allowing for personality and compensating the relativity between perception and conception, reinterpreting quantum mechanics, uncertainty and relativity.
{"title":"Insights Arising When Quantum Mechanics is Reappraised from a Biological Perspective","authors":"M. Deans","doi":"10.4172/2161-0398.1000215","DOIUrl":"https://doi.org/10.4172/2161-0398.1000215","url":null,"abstract":"A recently reported ferroelectric phase transition at 72 Kelvin in ice XIc corroborates an observation made as a physics student in 1967. I attributed anomalous readings from a silica helium thermometer suspended in liquid nitrogen to distortion by ice crystallizing on its surface, suggesting a proton ordered tetragonal variant, ice It of cubic ice had changed shape during an ordering phase transition releasing latent energy as 'ice light', wavelength λ ~ 4 μ infrared laser light. My research into its consequences reinterprets the axiomatic basis of science, affording simple accounts of familiar topics. Ice light emitted from pools of nitrogen on Earth's poles during a primordial ice age was multiply reflected in cloud and surface ice, creating DNA, including tRNA analogue 'transport DNAs', tDNAs by selectively polymerizing nucleotides in equatorial waters. They constituted H-bond lined pores through proto-cell membranes, polarization by ice light created an electric field propelling ionic substrate-trace element complexes constituting life’s molecular vocabulary inside. 64 tDNA variants orchestrate biochemistry, supplementing trace elements prevents mental and physical maladies. ‘Minions’ arose from comparing cybernetics, psychology and traditional wisdom. 189 flat anti-parallel β-sheet hairpins with alternate neutral and basic amino acid residues bind 1,701 DNA base pairs, forming a nine-coil abacus. Minions probably evolved to pack DNA in chromosomes for accurate replication. 189*18 arrays of proton ordered H-bonds connecting amino acid ω-amines to DNA phosphates control metabolism, are biological clocks and 'chips in the brain. When sarcomeres of striated muscle contract, they form ½-wave resonant cavities for λ, exemplifying biological energy coupling. Protons accelerated along minion tunnels drive molecular scale nuclear fusion, if coupled they could resolve global warming. Artificial intelligence modeled on minions would satisfy Turing's vision, allowing for personality and compensating the relativity between perception and conception, reinterpreting quantum mechanics, uncertainty and relativity.","PeriodicalId":94103,"journal":{"name":"Journal of physical chemistry & biophysics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2016-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73034293","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 : 2016-04-07DOI: 10.4172/2161-0398.1000214
Shanmugavel Chinnathambi, S. Karthikeyan, Manish Kesherwani, D. Velmurugan, N. Hanagata
5-Fluorouracil is clinically utilized as antitumor drug to treat numerous sorts of malignancy, which is made accessible to the objective tissues in conjugation with transport protein serum albumin furthermore which is low harmful when compared to the other drugs of this family and hence its binding characteristics are therefore of prime interest. The steady state and time resolved fluorescence studies, Fourier transform infrared spectroscopy and circular dichroism studies were employed to explain the mode and the mechanism of interaction of 5FU with HSA. 5-Fluorouracil binding is characterized with one high affinity binding site, with the binding constant of the order of 104. The molecular distance r (1.23 nm) between donor (HSA) and acceptor (5-FU) was estimated according to Forster's theory of non-radiative energy transfer. The feature of 5-Fluorouracil induced structural changes of human serum albumin has been studied in detail by Raman spectroscopy, circular dichroism and Fourier transform infrared spectroscopy analysis. The binding dynamics was expounded by synchronous fluorescence spectroscopy, fluorescence lifetime measurements and molecular modelling elicits that hydrophobic interactions and hydrogen bonding, stabilizes the 5-Fluorouracil interaction with HSA.
{"title":"Underlying the Mechanism of 5-Fluorouracil and Human Serum Albumin Interaction: A Biophysical Study","authors":"Shanmugavel Chinnathambi, S. Karthikeyan, Manish Kesherwani, D. Velmurugan, N. Hanagata","doi":"10.4172/2161-0398.1000214","DOIUrl":"https://doi.org/10.4172/2161-0398.1000214","url":null,"abstract":"5-Fluorouracil is clinically utilized as antitumor drug to treat numerous sorts of malignancy, which is made accessible to the objective tissues in conjugation with transport protein serum albumin furthermore which is low harmful when compared to the other drugs of this family and hence its binding characteristics are therefore of prime interest. The steady state and time resolved fluorescence studies, Fourier transform infrared spectroscopy and circular dichroism studies were employed to explain the mode and the mechanism of interaction of 5FU with HSA. 5-Fluorouracil binding is characterized with one high affinity binding site, with the binding constant of the order of 104. The molecular distance r (1.23 nm) between donor (HSA) and acceptor (5-FU) was estimated according to Forster's theory of non-radiative energy transfer. The feature of 5-Fluorouracil induced structural changes of human serum albumin has been studied in detail by Raman spectroscopy, circular dichroism and Fourier transform infrared spectroscopy analysis. The binding dynamics was expounded by synchronous fluorescence spectroscopy, fluorescence lifetime measurements and molecular modelling elicits that hydrophobic interactions and hydrogen bonding, stabilizes the 5-Fluorouracil interaction with HSA.","PeriodicalId":94103,"journal":{"name":"Journal of physical chemistry & biophysics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2016-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75151073","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 : 2016-04-04DOI: 10.4172/2161-0398.1000213
I. Adejoro, Sodiq O. Waheed, O. Adeboye
Malaria is an important parasitic disease in human. It is transmitted through the bite of an infected female Anopheles mosquito and occasionally through blood transfusion. In this study, the molecular docking studies of the triterpenoids using three (3) different malaria targets with PDB codes 3QS1, 1LS5 and 1SME was investigated using AutoDock vina. The docking studies showed that the ligands docked well with the targets and the binding affinity (-7.8, -8.0, -8.8 kcal/ mol for OH and -7.7, -7.6, -8.0 kcal/mol for OCH3) of the three (3) targets with the triterpenoids are in agreement with the values obtained for standard antimalaria drugs with re-docking binding affinity value of (-8.8, -9.5 and -9.0) kcal/mol for the three targets respectively. However, the result showed that the OH derivative of the triterpenoids gave better binding interaction than OCH3 derivative.
{"title":"Molecular Docking Studies of Lonchocarpus cyanescens Triterpenoids as Inhibitors for Malaria","authors":"I. Adejoro, Sodiq O. Waheed, O. Adeboye","doi":"10.4172/2161-0398.1000213","DOIUrl":"https://doi.org/10.4172/2161-0398.1000213","url":null,"abstract":"Malaria is an important parasitic disease in human. It is transmitted through the bite of an infected female Anopheles mosquito and occasionally through blood transfusion. In this study, the molecular docking studies of the triterpenoids using three (3) different malaria targets with PDB codes 3QS1, 1LS5 and 1SME was investigated using AutoDock vina. The docking studies showed that the ligands docked well with the targets and the binding affinity (-7.8, -8.0, -8.8 kcal/ mol for OH and -7.7, -7.6, -8.0 kcal/mol for OCH3) of the three (3) targets with the triterpenoids are in agreement with the values obtained for standard antimalaria drugs with re-docking binding affinity value of (-8.8, -9.5 and -9.0) kcal/mol for the three targets respectively. However, the result showed that the OH derivative of the triterpenoids gave better binding interaction than OCH3 derivative.","PeriodicalId":94103,"journal":{"name":"Journal of physical chemistry & biophysics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2016-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77746198","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 : 2016-03-31DOI: 10.4172/2161-0398.1000212
Chanon Miche, Frenkiel Michel
In this paper, a new mechanism explaining chemical reactions is proposed. The statistical process of “bouncing” molecules is completed by a matching procedure between wave-compatible molecules. This mechanism is elaborated in the light of the wave-particle duality of quantum physics, a property not as much used in chemistry as it has been in other domains, despite the advances permitted by Schrodinger’s equation. Numerical values for the hydrogen atom illustrate the mechanism which is then applied to offer a new representation of reactions between molecules. This representation converges with the HOMO LUMO approaches of reactivity. The concept could help in narrowing the gap between chemistry and biology.
{"title":"Electron as a Wave: An Activating Messenger. Beyond their Bouncing Electronic Objects Representation, Could it be that Reactive Molecules Behave as Wave-Interconnected Objects?","authors":"Chanon Miche, Frenkiel Michel","doi":"10.4172/2161-0398.1000212","DOIUrl":"https://doi.org/10.4172/2161-0398.1000212","url":null,"abstract":"In this paper, a new mechanism explaining chemical reactions is proposed. The statistical process of “bouncing” molecules is completed by a matching procedure between wave-compatible molecules. This mechanism is elaborated in the light of the wave-particle duality of quantum physics, a property not as much used in chemistry as it has been in other domains, despite the advances permitted by Schrodinger’s equation. Numerical values for the hydrogen atom illustrate the mechanism which is then applied to offer a new representation of reactions between molecules. This representation converges with the HOMO LUMO approaches of reactivity. The concept could help in narrowing the gap between chemistry and biology.","PeriodicalId":94103,"journal":{"name":"Journal of physical chemistry & biophysics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2016-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80056883","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 : 2016-03-29DOI: 10.4172/2161-0398.1000210
Aristos Ioannou, C. Varotsis
Maillard reaction products in the food-, nutrition- and pharmaceutical related processes are of great interest in cases where the substances involved are chemically reactive or unstable. Detailed data using vibrational FTIR spectroscopy of the Maillard-type reaction products are limited and needs more experimental evidences with explicit mechanisms of the reaction to demonstrate how the reducing sugars be avoided in formulating the amine-containing substances. The combination of high performance liquid chromatography (HPLC) with Fourier transform infrared (FTIR) spectrometry is a powerful instrumental separation-structure sensitive technique that allows characterization in real time of the separated chemical species. In this short review we demonstrate the benefits of the HPLC-FTIR coupling technique in studying the Maillard reaction model Fructose/Asparagine system.
{"title":"Real Time Monitoring the Maillard Reaction Intermediates by HPLC- FTIR","authors":"Aristos Ioannou, C. Varotsis","doi":"10.4172/2161-0398.1000210","DOIUrl":"https://doi.org/10.4172/2161-0398.1000210","url":null,"abstract":"Maillard reaction products in the food-, nutrition- and pharmaceutical related processes are of great interest in cases where the substances involved are chemically reactive or unstable. Detailed data using vibrational FTIR spectroscopy of the Maillard-type reaction products are limited and needs more experimental evidences with explicit mechanisms of the reaction to demonstrate how the reducing sugars be avoided in formulating the amine-containing substances. The combination of high performance liquid chromatography (HPLC) with Fourier transform infrared (FTIR) spectrometry is a powerful instrumental separation-structure sensitive technique that allows characterization in real time of the separated chemical species. In this short review we demonstrate the benefits of the HPLC-FTIR coupling technique in studying the Maillard reaction model Fructose/Asparagine system.","PeriodicalId":94103,"journal":{"name":"Journal of physical chemistry & biophysics","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2016-03-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84067456","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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