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Synthesis and 1D/2D NMR Characterization of Novel Carbazole-Tetrazole Hybrids

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Synthesis and 1D/2D NMR Characterization of Novel Carbazole-...

中国化学会第九届全国有机化学学术会议

作者： nagarajan Sangaraiah 周成合 Laboratory of Bioorganic ＆ Medicinal Chemistry Key Laboratory of Applied Chemistry of Chongqing Municipality School of Chemistry and Chemical Engineering Southwest University

＜正＞Microbial infections have become alarming questions recently due to the increasing emergence of multidrug-resistant strains,intractable pathogenic microorganisms and newly arising *** combination therapy with tw...

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Factors That Affect the Computational Prediction of Hot Spots in Protein-Protein Complexes

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Computational Molecular Bioscience 2012年第1期2卷 23-34页

作者： Jianping Lin Pi Liu Hua-Zheng Yang nagarajan Vaidehi College of Pharmacy Nankai University Tianjin China Department of Immunology Beckman Research Institute of the City of Hope Duarte USA State Key Laboratory of Elemento-Organic Chemistry Elemento-Organic Chemistry Institute Nankai University Tianjin China

Protein-protein complexes play an important role in the physiology and the pathology of cellular functions, and therefore are attractive therapeutic targets. A small subset of residues known as “hot spots”, accounts for most of the protein-protein binding free energy. Computational methods play a critical role in identifying the hotspots on the proteinprotein interface. In this paper, we use a computational alanine scanning method with all-atom force fields for predicting hotspots for 313 mutations in 16 protein complexes of known structures. We studied the effect of force fields, solvation models, and conformational sampling on the hotspot predictions. We compared the calculated change in the protein-protein interaction energies upon mutation of the residues in and near the protein-protein interface, to the experimental change in free energies. The AMBER force field (FF) predicted 86% of the hotspots among the three commonly used FF for proteins, namely, AMBER FF, Charmm27 FF, and OPLS-2005 FF. However, AMBER FF also showed a high rate of false positives, while the Charmm27 FF yielded 74% correct predictions of the hotspot residues with low false positives. Van der Waals and hydrogen bonding energy show the largest energy contribution with a high rate of prediction accuracy, while the desolvation energy was found to contribute little to improve the hot spot prediction. Using a conformational ensemble including limited backbone movement instead of one static structure leads to better predicttion of hotpsots.

关键词： Hotspot Prediction Computational Mutagenesis Concoord Ensemble Protein-Protein Complexes

Discrimination of Acacia seeds at species and subspecies levels using an image analyzer

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Forestry Studies in China 2013年第4期15卷 253-260页

作者： V.SIVAKUMAR R.ANANDALAKSHMI Rekha R.WARRIER B.G.SINGH M.TIGABU B.nagarajan Division of Seed Technology Institute of Forest Genetics and Tree Breeding Indian Council of Forestry Research and Education Swedish University of Agricultural Sciences Southern Swedish Forest Research Centre

Seeds of Acacia species and subspecies were characterized using an image analyzer and discriminated for the purpose of identification of species, using their seeds. The species considered in the study were Acacia nilotica subsp. indica, A. nilotica subsp. cupressiformis, A. nilotica subsp. tomentosa, A. tortilis subsp. raddiana, A. tortilis subsp. spirocarpa, A. raddiana, A. senegal, A. auriculiformis, A. farnesiana, A. leucophloea, A. mearnsii, A. melanoxylon, A. planifrons and A. mangium. Eight samples each consisting of 25 seeds per species were studied using the image analyzer for physical characteristics of seeds, such as 2D surface area, length, width, perimeter, roundness, aspect ratio and fullness ratio. Discriminant analysis showed that acacias can be discriminated at species and subspecies levels, with 96% accuracy. Exceptions were A. nilotica subsp. tomentosa(75.0%), A. tortilis subsp. spirocarpa(75.0%) and A. raddiana(87.5%) which had relatively low discrimination accuracy. However, discriminant analysis within selected species showed complete recognition of these species except for A. tortilis subsp. spirocarpa, that had still a large overlap with A. leucophloea. The study also revealed that both seed size and shape characteristics were responsible for species discrimination. It can be concluded that rapid analysis of seed size and shape characteristics using image analysis techniques can be used as primary and secondary keys for identification of acacias.

关键词： Acacia image analyzer discriminant analysis seed identification

功能化多空腔超分子笼配合物的制备及其电催化析氧应用研究

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功能化多空腔超分子笼配合物的制备及其电催化析氧应用研究

中国化学会第八届全国配位化学会议

作者：戴枫荣 nagarajan Bhuvaneswari 陈忠宁中国科学院福建物质结构研究所

具有高度可控性及金属-配体之间的刚性键合作用的分立配位超分子笼化合物,作为一个重要的研究热点,一直受到国内外许多研究学者的长期关注。这类配位分子笼化合物都具有模板化合成、结构可调控和独特纳米空腔等特征。但是,目前的研究大... 详细信息

具有高度可控性及金属-配体之间的刚性键合作用的分立配位超分子笼化合物,作为一个重要的研究热点,一直受到国内外许多研究学者的长期关注。这类配位分子笼化合物都具有模板化合成、结构可调控和独特纳米空腔等特征。但是,目前的研究大部分仅停留于分立配位超分子笼化合物对不同客体小分子的结合、包容研究,以及少量的作为反应容器应用于有机催化等。所以,拓展研究配位分子笼的功能化策略,并进一步实现超分子笼材料在传感、能源等领域的应用具有非常重要的意义。通过引入具有强的吸电子能力的吡啶阳离子功能基团,我们获得了一类具有多元结构组分、包含内外双重多个纳米空腔结构的超分子笼配合物。这类吡啶阳离子功能化的超分子笼配合物对2-（氨基甲基）吡啶类客体分子具有灵敏的特异选择识别能力,主要是由于主客相互作用,导致分子内电荷传递发生变化,从而使得超分子笼配合物吸收和荧光光谱的急剧蓝移。此外,功能化的八核钴（Ⅱ）超分子容器还可以作为高效和稳定的催化剂,用于电解水析氧反应中。这种超分子容器的功能化策略为设计和构筑多功能化的配位超分子容器提供了一种新的思路。

关键词：配位分子笼多空腔主客体化学吡啶功能化电催化析氧

A study on the effect of using mangrove leaf extracts as a feed additive in the progress of bacterial infections in marine ornamental fish

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Journal of Coastal Life Medicine 2013年第3期 217-224页

作者： nagarajan Balachandran Dhayanithi Thipramalai Thankappan Ajith Kumar Thangavelu Balasubramanian Kapila Tissera Centre of Advanced Study in Marine Biology Faculty of Marine Sciences Annamalai UniversityParangipettai-608502Tamil NaduIndia Kerala Aqua Venture International Ltd. CochinKeralaIndia

Objective:To ascertain the feasibility of using sustainable natural resources in maintaining disease free fish in such ***:causative bacteria were identified by morphology and biochemical *** antibacterial activity and disease resistant capability of mangrove plant leaf extract were investigated against fish ***:The infected marine ornamental fishes were collected from the hatchery condition and inhibition activity at the concentration of 220,200,175 and 150μg/mL against Pseudomonas fluorescens,Pseudomonas aeruginosa,Vibrio parahaemolyticus,and Vibrio anguillarum *** experimental trial reveals feeding marine ornamental fish with feed incorporated with a methanol leaf extract of Avicennia marina,increases their survival and reduces their susceptibility to infections from the isolated *** on the in vitro assay,methanol extract of Avicennia marina was exhibited good Conclusions:The mangrove leaves have potential to control the infections caused by Pseudomonas fluorescens,Pseudomonas aeruginosa,Vibrio parahaemolyticus and Vibrio anguillarum.

关键词： Infected fish Challenge experiment Leukocytes Disease resistance Mangrove herbal Bacterial infections

Evaluation of antibacterial activity and immunostimulant of red seaweed Chondrococcus hornemanni(Kuetzing,1847)against marine ornamental fish pathogens

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Journal of Coastal Life Medicine 2014年第1期 64-69页

作者： Raghunathan Ganeshamurthy nagarajan Balachandran Dhayanithi Thipramalai Thankappan Ajith Kumar Saravanan Kumaresan Centre of Advanced Study in Marine Biology Faculty of Marine Sciences Annamalai UniversityParangipettai-608502Tamil NaduIndia

Objective:To evaluate the antibacterial activity and immunostimulant of red seaweedChondrococcus hornemanni ***:(***)(Kuetzing,1847)against marine ornamental fish antimicrobial activity against two fish pathogens and the partially purified potential compound was characterized by *** seaweed extract was injected to the clownfish,Amphiprion sebae to study the innate immune response of these ***:In the present study,seaweed extract of *** showed significant Aeromonas hydrophila(20 mm)and Vibrio parahaemolyticus(19 mm)at a concentration(25 mg/mL)shown higher antimicrobial *** white blood cell count and respirator burst activity was significantly increased in the experimental tanks(E1)and(E2)when compared with *** extracts was found effective and had more than 80%inhibitory activity against Conclusions:Hence,it is concluded that the seaweed extracts of *** had potential bioactive compounds and act an immunostimulant and improve the immune response to fish.

关键词： Seaweed Fish pathogen Antimicrobial activity GC-MS analysis Immunostimulants

Increasing Incidence of Diabetes Mellitus, Systemic Hypertension and Germ Cells with Endogenous Estrogen

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Open Journal of Preventive Medicine 2014年第6期4卷 481-488页

作者： Elizabeth Jeya Vardhini Samuel nagarajan Natarajan Sanjoy George Kiran Gkulirankal George Eapen Department of General Medicine Pondicherry Institute of Medical Sciences Pondicherry India

Background: Era of contraception, abortions, [20th, 21st centuries] implemented as family welfare schemes, witnessed increased global incidence of Type 2 diabetes mellitus, systemic hypertension. Objectives: Altruistic association of contraception [if any], with increasing diabetes mellitus, systemic hypertension, was sought after. Methods: In 2012, retrospective analysis of, prevalence of diabetes mellitus, systemic hypertension, in 350 patients of 20 - 35 years, 35 - 50 years, >50 years, age groups, data collected by convenient, stratified random sampling, from different geographical locations, between 2003-2012 and its association with presence, absence of contraception, abortion was undertaken;simultaneously, serum estrogen levels obtained from 105 patients, were also analysed. Results: 10 - 45 fold increase in Type 2 diabetes mellitus was seen in contraceptive users of >20 years to >50 years;15 - 50 fold increase in incidence of systemic hypertension was seen in contraceptive users of >20 years to >50 years. Endogenous estrogen was reduced below normal in 75% of contraceptive users, and 25% of contraceptive users had low normal serum estrogen. Cholesterol deprived diet, due to decreased synthesis of endogenous estrogen, androgen also was associated with 50% increase in diabetes mellitus, systemic hypertension. Conclusion: Concept is acquired contraception, abortion status, with smashed fragmentation of germ cells, reduced endogenous estrogen, androgen, results in defaulted genomic repertoire, deranged cell metabolism, increased incidence of diabetes mellitus, systemic hypertension as part of metabolic syndrome. Contraception reversal declined the diseases as a cause and effective phenomenon.

关键词： Fragmented Germ Cells Autologous Germ Cell’s Replant Reduced Endogenous Estrogen Global Contraception Abortion Contraception Reversal

家蚕末龄幼虫、蛹和成虫期载脂蛋白组成的变化(英文)

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昆虫学报 2017年第3期60卷 247-253页

作者： Thangaraj PRATHEEP Neelamegam RAMESHKUMAR nagarajan KAYALVIZHI Thangaiyan SUGANYA Sivashanmugam KARTHIKEYAN Muthukalingan KRISHNAN Department of Environmental Biotechnology Bharathidasan University Tiruehirappalli-620024 India Department of Zoology Periyar University Salem-636011 India School of Bio Sciences & Technology VIT University Vellore-632014 India

【目的】载脂蛋白是一种重要的血淋巴脂蛋白,它将90%的脂类输送到内部器官。本研究旨在调查家蚕Bombyx mori各个发育期血淋巴载脂蛋白组成变化。【方法】采用溴化钾密度梯度超离心、肝素钠沉淀(heparin sodium precipitation)和连接蒸... 详细信息

【目的】载脂蛋白是一种重要的血淋巴脂蛋白,它将90%的脂类输送到内部器官。本研究旨在调查家蚕Bombyx mori各个发育期血淋巴载脂蛋白组成变化。【方法】采用溴化钾密度梯度超离心、肝素钠沉淀(heparin sodium precipitation)和连接蒸发光散射检测器的高效液相色谱(high performance liquid chromatography coupled with evaporative light scattering detector,HPLC-ELSD)等方法,检测了家蚕各个发育期血淋巴脂蛋白组成变化。【结果】从5龄幼虫到成虫的转变过程中,从幼虫期和吐丝期家蚕中分离的载脂蛋白密度分别为1.130和1.139 g/mL,但蛹期载脂蛋白密度降低(为1.083 g/mL)。应用肝素钠沉淀法对载脂蛋白组成的分析表明,家蚕吐丝期载脂蛋白主要是高密度载脂蛋白(9.8μg/μL);从吐丝期开始,低密度载脂蛋白含量增加,并在蛹期持续存在(4.2μg/μL)。在所有发育期,载脂蛋白Ⅲ含量低,在2日龄蛹中含量最高(4.0μg/μL)。另外,从吐丝期至成虫期,总脂浓度逐渐增加,从1.4μg/μL增加至3.8μg/μL。通过HPLC-ELSD对中性脂组成的分析表明,在所有发育期只含有微量的单酰甘油(<0.04μg/μL),在5龄幼虫中期至蛹期末观察到二酰甘油(0.11~0.61μg/μL),在蛹期发现三酰甘油(0.18~1.02μg/μL)。【结论】总体结果说明,在幼虫期和吐丝期,高密度载脂蛋白主要运输二酰甘油;化蛹后,高密度载脂蛋白更多地与三酰甘油有关,而与二酰甘油相关性小,并与载脂蛋白Ⅲ形成低密度载脂蛋白有关。这些结果提示载脂蛋白的转变是一个精确的时间控制过程。

关键词：家蚕载脂蛋白高密度载脂蛋白低密度载脂蛋白脂类

Synthesis of novel antimicrobial tetrazole compounds and their Supramolecular synergistic effects with clinical drugs

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Synthesis of novel antimicrobial tetrazole compounds and the...

全国第十七届大环化学暨第九届超分子化学学术研讨会

作者：代玲玲 Sangaraiah nagarajan 周成合 School of Chemistry and Chemical Engineering Southwest University 中央研究院(台湾)科学院生物化学研究所

＜正＞A series of tetrazole type of antifungal compounds were synthesized and characterized by NMR,IR,MS and HRMS *** bioactive assay manifested that most target compounds exhibited good antifungal activity,especially... 详细信息

关键词： Tetrazole Amine Antifungal