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Synthesis, Growth and Nucleation Kinetics of Potassium Hydrogen Oxalate Hydrate Single Crystal (C4H3KO82H2O) - A Third Order Nonlinear Material 三阶非线性材料草酸氢钾水合物单晶(C4H3KO82H2O)的合成、生长及成核动力学
Advanced Materials Proceedings
Pub Date : 2019-07-01 DOI: 10.5185/amp.2019.0001
Ajisha D.S
Slow evaporation method was used to develop the metal organic compound of potassium hydrogen oxalate hydrate. The crystal system and lattice constant of the developed compound were analyzed with the help of single crystal X-ray diffraction technique. For diverse temperature, the nucleation curve and solubility of the compound were calculated experimentally. The solubility curve showed that the compound exhibit a positive temperature gradient of solubility. Various parameters for growth kinetics such as free energy change, induction period, nucleation rate were evaluated experimentally. The semiconductor laser of wavelength 532 nm was utilized in the Z-scan method to determine different nonlinear parameters like third-order refractive index, susceptibility and absorption coefficient. Copyright © VBRI Press.
采用慢蒸发法制备了水合草酸氢钾金属有机化合物。利用单晶x射线衍射技术对化合物的晶系和晶格常数进行了分析。实验计算了不同温度下化合物的成核曲线和溶解度。溶解度曲线表明，化合物的溶解度呈正温度梯度。对生长动力学的自由能变化、诱导期、成核速率等参数进行了实验研究。利用波长532 nm的半导体激光器进行z扫描，确定了三阶折射率、磁化率和吸收系数等非线性参数。版权所有©VBRI出版社。
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引用次数: 0
Improved Photocatalytic and Electrochemical Performance of Hydrothermally Synthesized Mg2SnO4 Nanocubes and their Effect on Loading with Activated Carbon 水热合成的氧化二锡纳米立方的光催化和电化学性能及其对活性炭负载的影响
Advanced Materials Proceedings
Pub Date : 2019-07-01 DOI: 10.5185/amp.2019.0004
D. Selvakumaran
Highly crystalline Mg 2 SnO 4 nanocubes were successfully synthesized using a facile hydrothermal method. Further activated carbon was loaded with Mg 2 SnO 4 nanoparticles in order to enhance the photocatalytic performance. Photocatalytic performance of Mg 2 SnO 4 nanocubes and activated carbon loaded Mg 2 SnO 4 nanocomposites were examined by methyl green and methylene blue dye degradation under the exposure of UV light. However, results suggest that activated carbon loaded Mg 2 SnO 4 nanocomposites has significantly enhanced the photocatalytic performance over Mg 2 SnO 4 nanocubes. It is assumed that better photocatalytic activity is caused by the higher specific surface area of activated carbon loaded Mg 2 SnO 4 nanocomposites. Furthermore, cyclic voltammetry was used to analyze the electrochemical properties of the samples. Results indicate that activated carbon significantly enhanced the electrochemical properties of Mg 2 SnO 4 nanoparticles. Copyright © VBRI Press.
采用简便的水热法成功合成了高结晶的二氧化锰纳米立方。进一步在活性炭上负载二氧化锰纳米颗粒，以提高其光催化性能。采用甲基绿和亚甲基蓝对紫外光下二氧化锰纳米立方和活性炭负载二氧化锰纳米复合材料的光催化性能进行了研究。然而，研究结果表明，活性炭负载的二氧化锰纳米复合材料比二氧化锰纳米立方体具有显著的光催化性能。假设活性炭负载的mg2sno4纳米复合材料具有较高的比表面积，从而具有较好的光催化活性。并用循环伏安法分析了样品的电化学性能。结果表明，活性炭显著提高了二氧化锰纳米颗粒的电化学性能。版权所有©VBRI出版社。
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引用次数: 1
Comparative Studies of Epoxy Resin with Different Curing Agents 环氧树脂与不同固化剂的比较研究
Advanced Materials Proceedings
Pub Date : 2019-07-01 DOI: 10.5185/amp.2019.0012
M.V.L. Kumari
A polymer is a giant molecule, made of many repeated subunits. Titled material Epoxy resin is a polymer. Films of epoxy resin with curing agents are prepared by wt/wt ratio. The concentrations of both the polymer and curing agents are varied. Organic solvents - Triethylenetetramine and Diethylenetriamine are curing agents used in this study. Films are casted by solvent evaporation technique. Films of epoxy resin with different curing agents are subjected to spectroscopic, mechanical and dielectric studies. From the studies better curing agent is traced out. Copyright © VBRI Press.
聚合物是一个巨大的分子，由许多重复的亚基组成。环氧树脂是一种聚合物。采用wt/wt比制备含固化剂的环氧树脂薄膜。聚合物和固化剂的浓度是不同的。有机溶剂-三乙基四胺和二乙基三胺是本研究中使用的固化剂。薄膜是用溶剂蒸发技术铸造的。用不同固化剂制备的环氧树脂薄膜进行了光谱学、力学和介电学研究。通过研究，找到了较好的固化剂。版权所有©VBRI出版社。
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引用次数: 1
Drug-Receptor Interactions of New Isoxazole Scaffold against Breast and Skin Cancer Cell Lines 新型异恶唑支架抗乳腺癌和皮肤癌细胞的药物受体相互作用
Advanced Materials Proceedings
Pub Date : 2019-07-01 DOI: 10.5185/amp.2019.0007
K. Harshita
The electron rich oxygen and nitrogen exists at 1, 2 positions in a five membered ring system is known as isoxazole, an active pharmacophore. They are reported to be interesting synthons to synthesize various useful scaffolds of interesting biological activities. Herein, we report the synthesis of isoxazoles from ethoxy substituted chalcone derivatives on reaction with hydroxylamine hydrochloride in basic medium. All the compounds are characterized by spectroscopic methods. The present study is an effort to extend the utility of virtual drug-receptor interaction of isoxazoles on the active site of target inhibitor bound cytochrome P450 family oxidoreductase [PDB: 3PM0] for breast cancer cell line and pirin inhibiting target [PDB: 3ACL] for skin cancer cell lines respectively. Both the chloro and bromo substituted derivatives showed maximum interactions with minimum docking scores. In silico ADME–toxicity evaluation to predict the preliminary pharmacokinetic and toxicity profile of the synthesized compounds is also conducted. Copyright © VBRI Press.
富电子的氧和氮在五元环体系中的1,2位被称为异恶唑，是一种活性药效团。据报道，它们是有趣的合成子，可以合成各种有趣的生物活性的有用支架。本文报道了以乙氧基取代查尔酮衍生物为原料，在碱性介质中与盐酸羟胺反应合成异恶唑。所有化合物都用光谱方法进行了表征。本研究旨在扩大异唑类药物与受体虚拟相互作用在靶抑制剂结合细胞色素P450家族氧化还原酶[PDB: 3PM0]对乳腺癌细胞系和皮林抑制靶点[PDB: 3ACL]对皮肤癌细胞系活性位点的应用。氯取代衍生物和溴取代衍生物均表现出最大的相互作用和最小的对接分数。还进行了硅片adme毒性评价，以预测合成化合物的初步药代动力学和毒性谱。版权所有©VBRI出版社。
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引用次数: 0
Bulk Growth, Nucleation Kinetics, Optical and Spectral studies of Organic Nonlinear Material: 4-Chloroaniline (pCA) Single Crystal 有机非线性材料:4-氯苯胺单晶的体生长、成核动力学、光学和光谱研究
Advanced Materials Proceedings
Pub Date : 2019-07-01 DOI: 10.5185/amp.2019.0005
M. Vijayalakshmi
Organic nonlinear optical material 4-chloroaniline (pCA) single crystal was grown by slow cooling method. The material solubility was determined by gravimetric analysis and the metastable zonewidth was measured at various temperatures. Induction period values were evaluated for different supersaturation ratio at different temperatures. The interfacial energies were calculated by experimentally determined induction period values. The energy results were theoretically compared with the experimental values derived from the solubility data. The nucleation parameters such as gibb’s free energy change, radius of the critical nuclei, number of molecules present in the nuclei and also nucleation rate were calculated. The unit cell parameters were determined by the X-ray diffraction analysis. pCA crystal transmission property was analyzed by UV-Vis-NIR spectrum. The various vibrational modes of different functional groups were identified and their wavenumbers were assigned from FT-Raman spectrum analysis. The nonlinear optical property of the grown crystal was measured by using Q-Switched Nd: YAG laser and the efficiency was compared to that of standard KDP. Copyright © VBRI Press.
采用慢冷法制备了有机非线性光学材料4-氯苯胺单晶。用重量分析法测定了材料的溶解度，并在不同温度下测定了亚稳带宽度。对不同过饱和比在不同温度下的诱导期值进行了评价。根据实验确定的感应周期值计算界面能。能量计算结果与溶解度数据得出的实验值进行了理论比较。计算了成核参数，如吉布自由能变化、临界核半径、核内分子数和成核速率。通过x射线衍射分析确定了晶胞参数。用紫外-可见-近红外光谱分析了pCA晶体的透射特性。通过傅里叶变换拉曼光谱分析，确定了不同官能团的各种振动模式，并确定了它们的波数。用调q Nd: YAG激光器测量了生长晶体的非线性光学特性，并与标准KDP的效率进行了比较。版权所有©VBRI出版社。
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引用次数: 0
Mechanical and Thermal Characterization of Ethylene Vinyl Acetate Copolymer/Sodium Silicate Composite Films 乙烯-醋酸乙烯共聚物/硅酸钠复合薄膜的力学和热性能
Advanced Materials Proceedings
Pub Date : 2019-07-01 DOI: 10.5185/amp.2019.0011
A. Kaviarasi
Intercalated composite films of Ethylene Vinyl Acetate (EVA) with sodium silicate (SS) are prepared using solvent casting technique. The films are prepared by varying the vinyl acetate percentage in EVA and suitable quantities of sodium silicate in wt/wt concentration are mixed in EVA solution with high speed stirring for homogenous dispersion. The functional groups present in both EVA and EVA/SS films are confirmed through FTIR spectral analysis. StressStrain curves are obtained for both EVA and EVA/SS films in order to determine the improvement in various tensile parameters. An increase in the thermal stability of the developed composite was recorded by thermo gravimetric analysis (TGA). Copyright © VBRI Press.
采用溶剂铸造技术制备了硅酸钠与乙酸乙烯酯的插层复合膜。通过改变EVA中醋酸乙烯的百分比，在EVA溶液中加入适量的水玻璃(wt/wt)，高速搅拌均匀分散。通过FTIR光谱分析，确定了EVA和EVA/SS薄膜中存在的官能团。得到了EVA和EVA/SS薄膜的应力应变曲线，以确定各拉伸参数的改善情况。热重分析(TGA)记录了复合材料热稳定性的提高。版权所有©VBRI出版社。
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引用次数: 0
Theoretical Investigation on Occurrence of Unconventional Superconductivity in Mg(1-x)TxB2 Compounds Mg(1-x)TxB2化合物中非常规超导现象的理论研究
Advanced Materials Proceedings
Pub Date : 2019-07-01 DOI: 10.5185/amp.2019.0010
D. Jayalakshmi
The structural, bonding, magnetic, electronic, elastic and thermoelectric nature of superconducting material namely MgB 2 , with hexagonal structure (space group is 191) are studied by first principle calculation. The optimized lattice parameters of MgB 2 are a=b=3.084289 Ǻ and c= 3.51527 Ǻ and the electron phonon coupling constant (λ), Debye temperature, critical temperature, Seebeck coefficient, electrical resistivity and the elastic constants (C 11 , C 12, C 13, C 33 , C 55 ) are calculated and agreed well with available outcome. To predict other possible superconducting materials belong to MgB 2 family, Mg is further doped with transition element Titanium (Ti) and analyzed. Copyright © VBRI Press.
用第一性原理计算研究了空间群为191的六边形超导材料mgb2的结构、键合、磁性、电子、弹性和热电性质。优化后的MgB 2晶格参数为a=b=3.084289 Ǻ和c= 3.51527 Ǻ，并计算了电子声子耦合常数(λ)、Debye温度、临界温度、Seebeck系数、电阻率和弹性常数(c11、c12、c13、c33、c55)，与已有结果吻合较好。为了预测其他可能属于mgb2族的超导材料，进一步在Mg中掺杂过渡元素钛(Ti)并进行了分析。版权所有©VBRI出版社。
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引用次数: 2
Growth, Structure and Spectroscopic Studies of an Organic Optical Material: Benzimidazole Benzimidazolium Picrate Crystal 有机光学材料苯并咪唑-苦味酸苯并咪唑晶体的生长、结构和光谱研究
Advanced Materials Proceedings
Pub Date : 2019-07-01 DOI: 10.5185/amp.2019.0009
A. Jagadesan
Crystal engineers have focused to control the solid structures though electrostatic, charge transfer, hydrogen bonding interactions. In particular, organic crystals have very good device oriented characteristics like optical response and large optical polarizability for nonlinear optical applications. In this point of view, we have concentrated on the growth of Benzimidazole benzimidazolium picrate crystal by cost effective solution growth method. The specimen has been subjected to different characterization studies. The single crystal XRD confirms the triclinic crystal structure (P-1) and both linear and nonlinearity of the materials have been analysed through UV-visible and SHG studies. Molecular vibrations, polarisational vibrations and presence of various functional groups present in the material have been identified through FTIR and FT-Raman spectral studies. The high intense light radiation test was performed on the crystal and it was estimated to be 1.39 GW/cm 2 . Copyright © VBRI Press.
晶体工程师一直致力于通过静电、电荷转移、氢键相互作用来控制固体结构。特别是在非线性光学应用中，有机晶体具有良好的器件取向特性，如光学响应和大的光学极化率。在此基础上，我们重点研究了用低成本的溶液生长法生长苦味酸苯并咪唑晶体。该标本经受了不同的表征研究。单晶XRD证实了材料的三斜晶体结构(P-1)，并通过紫外可见和SHG研究分析了材料的线性和非线性。通过FTIR和FT-Raman光谱研究，确定了材料中的分子振动、极化振动和各种官能团的存在。对晶体进行了高强光辐射测试，估计为1.39 GW/ cm2。版权所有©VBRI出版社。
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引用次数: 0
International Conference on Materials and Spectroscopy 国际材料与光谱学会议
Advanced Materials Proceedings
Pub Date : 2019-07-01 DOI: 10.5185/amp.2019/0103
Krishnendu Pal
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引用次数: 0
UV-light Photocatalytic Activity of Biocompatible Nanoparticles Provide Multiple Effects 生物相容性纳米粒子的紫外光催化活性提供了多种效果
Advanced Materials Proceedings
Pub Date : 2019-07-01 DOI: 10.5185/amp.2019.0006
S. Harinee
Biocompatible silver (Ag) nanoparticles (NPs) were demonstrated using silver nitrate (AgNO 3 ) and egg white extracted (EWE). Egg white mediated AgNPs were characterized and study its antimicrobial activity against human pathogenic bacteria (HPB), and under UV-light irradiation, photocatalytic degradation of methylene blue (MB) has been studied. Results showed that EWE-AgNPs act as remarkable antimicrobial agent against several Gram- Positive and Negative HPB strains. Maximal growth inhibition zone in Salmonella typhimurium (NCIM 2501) and a minimal inhibition zone in Bacillus subtilis (NCIM 2920) were observed at concentration of 80μg mL -1 . High activity of photocatalytic degradation of methylene blue (MB) at about 94.67% was observed under UV-light irradiation when the reaction time was extended 30 min. The multi-functionality of EWE-AgNPs may be useful for many industrial applications such as catalysis to waste water treatment in near future. Copyright © VBRI Press.
以硝酸银(agno3)和提取的蛋清(EWE)为原料，制备了具有生物相容性的银纳米粒子(NPs)。对蛋清介导的AgNPs进行了表征并研究了其对人致病菌(HPB)的抑菌活性，并在紫外光照射下进行了光催化降解亚甲基蓝(MB)的研究。结果表明，EWE-AgNPs对几种革兰氏阳性和阴性HPB菌株均有较好的抗菌作用。在80μg mL -1浓度下，鼠伤寒沙门菌(NCIM 2501)有最大生长抑制带，枯草芽孢杆菌(NCIM 2920)有最小生长抑制带。当反应时间延长30 min时，在紫外光照射下，EWE-AgNPs的光催化降解亚甲基蓝(MB)的活性高达94.67%。EWE-AgNPs的多功能性可能在不久的将来用于催化废水处理等工业应用。版权所有©VBRI出版社。
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引用次数: 2
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