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Key Controlled Wheel Chair using Arduino Uno 使用Arduino Uno键控轮椅
Pub Date : 2022-01-01 DOI: 10.14233/ajomc.2022.7-1-sp4.pp132-134
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引用次数: 0
Microwave Assisted Synthesis and Computational Approach of5-Nitrothiophene-2-carboxaldehyde Derived Schiff Bases as Antibacterial Agents 5-亚硝基噻吩-2-甲醛希夫碱抗菌药物的微波辅助合成及计算方法
Pub Date : 2022-01-01 DOI: 10.14233/ajomc.2022.ajomc-p399
S. Kasula, S. Gyaneshwari
Schiff bases were synthesized by condensation of the aldehyde group of 5-nitro thiophen-2- carboxaldehyde with different fluoro substituted aromatic primary amines. All the synthesized compounds (3a-c) were characterized by various spectral techniques and the completion of reaction were confirmed by TLC. In vitro antimicrobial activity of the synthesized compounds was evaluated using minimum inhibitory concentration against Gram-positive and Gram-negative microbial strains. The results of antimicrobial study revealed that compounds 3a and 3c were active and exhibited better inhibitory activities as compared with standard drug levofloxacin. The molecular docking studies have higher binding affinity with the receptors enzymes enoyl-ACP reductase. Density functional theory (DFT) calculations at the B3LYP method and 6-31G(d,p) basis set have been carried out to investigate the equilibrium geometry of the ligands. Moreover, total energy, energy of HOMO and LUMO and MEP and other quantum parameters were also calculated. The DFT calculations suggested the lowest energy gap of the studied compounds, which were chemically reactive and may serve as potential drug candidates.
以5-硝基噻吩-2-羧醛醛基与不同的氟取代芳族伯胺缩合合成了希夫碱。所有合成的化合物(3a-c)通过各种光谱技术进行了表征,并通过薄层色谱证实了反应的完成性。采用最小抑菌浓度对革兰氏阳性菌和革兰氏阴性菌进行体外抑菌活性评价。抑菌实验结果表明,化合物3a和3c具有活性,与标准药物左氧氟沙星相比具有更好的抑菌活性。分子对接研究与受体酶烯酰acp还原酶具有较高的结合亲和力。在B3LYP方法和6-31G(d,p)基集上进行了密度泛函理论(DFT)计算,以研究配体的平衡几何形状。此外,还计算了总能量、HOMO和lumo的能量以及MEP等量子参数。DFT计算表明所研究的化合物具有最低的能隙,这些化合物具有化学活性,可能作为潜在的候选药物。
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引用次数: 0
A Review - Various Challenges & Solutions for IoT based System using 5G Technology 回顾-使用5G技术的基于物联网的系统的各种挑战和解决方案
Pub Date : 2022-01-01 DOI: 10.14233/ajomc.2022.7-1-sp4.pp110-116
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引用次数: 0
A Comparative Study of Environment Friendly Alternate to Synthetic Lubricants 环境友好型合成润滑油替代品的比较研究
Pub Date : 2022-01-01 DOI: 10.14233/ajomc.2022.7-1-sp4.pp214-219
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引用次数: 0
Study of Secondary Metabolites and Antibacterial Activity ofClerodendrum chinense found in Chhattisgarh Region, India 产自印度恰蒂斯加尔邦的中国毛竹次生代谢物及抗菌活性研究
Pub Date : 2022-01-01 DOI: 10.14233/ajomc.2022.ajomc-p398
Sonali Khandelwal, Aman Dev Dani, Yogesh Kumar, Naman Janghel, Piyush Kesharwani
Clerodendrum chinense a plant native to south Asia is a perennial shrub with triangular ovate shaped leaves. Present study involves the study of secondary metabolites and antibacterial activity of Clerodendrum chinense. Phytochemical analysis of plant extract shows the presence of active phytoconstituents like protein, carbohydrate, sterols, alkaloids, tannins, saponins. TLC analysis revealed the presence of β-sitosterol in the extract, which is an important phytosterol. Antibacterial activity shows characteristic inhibition against two different strain i.e. E. coli and Pseudomonas, which suggests the plant might show promising results in the field of antibiotics.
中国毛竹,原产于南亚,是一种多年生灌木,叶呈三角形卵形。本研究主要是对毛栎次生代谢产物及抗菌活性的研究。植物化学分析表明,植物提取物中含有蛋白质、碳水化合物、甾醇、生物碱、单宁、皂苷等活性成分。薄层色谱分析显示,提取物中含有一种重要的植物甾醇- β-谷甾醇。对大肠杆菌和假单胞菌具有明显的抑菌活性,在抗菌领域具有广阔的应用前景。
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引用次数: 0
PM3 Method based QSAR Study of the Derivatives of Thiadiazole and Quinoxalinefor Antiepileptic Activity using Quantum Mechanical and Energy Descriptors 基于PM3方法的量子力学和能量描述子对噻二唑和喹诺啉衍生物抗癫痫活性的QSAR研究
Pub Date : 2022-01-01 DOI: 10.14233/ajomc.2022.ajomc-p371
D. Mishra, Ashutosh Singh, S. K. Mishra, Priti Singh, Abhishek Singh, J. Kumar
QSAR analysis of the derivatives of thiadiazole and quinoxaline has been made for antiepileptic activity (pED50) using quantum mechanical and energy descriptors. The descriptors ionization potential, HOMO energy, LUMO energy, electron affinity, total energy, conformation minimum energy and log P have been used for QSAR analysis. The PM3 method has been employed for the calculation of descriptors. The best QSAR model has been obtained by using the descriptors electron affinity, total energy, conformation minimum energy and log P in which regression coefficient is 0.836651 and cross-validation coefficient is 0.761455. Also the single descriptor total energy is able to produce good QSAR model and hence the antiepileptic activity of any compound of the series can be predicted by calculating the value of total energy.
利用量子力学和能量描述符对噻二唑和喹诺啉衍生物的抗癫痫活性(pED50)进行了QSAR分析。描述符电离势、同能、LUMO能、电子亲和能、总能、构象最小能和logp被用于QSAR分析。描述符的计算采用了PM3方法。利用电子亲和、总能、构象最小能和log P等描述符,得到了最佳的QSAR模型,其中回归系数为0.836651,交叉验证系数为0.761455。此外,单一描述子总能量能够产生良好的QSAR模型,因此可以通过计算总能量值来预测该系列中任何化合物的抗癫痫活性。
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引用次数: 0
Domestic Resistance Spot Welding Equipment Design and Assembly 国产电阻点焊设备设计与装配
Pub Date : 2022-01-01 DOI: 10.14233/ajomc.2022.7-1-sp4.pp243-247
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引用次数: 0
Moving Vehicle Accident Detection and Alerting System using IOT 使用物联网的移动车辆事故检测和警报系统
Pub Date : 2022-01-01 DOI: 10.14233/ajomc.2022.7-1-sp4.pp139-142
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引用次数: 0
Geopolymer Concrete as a Retrofitting Material for Beam Column Joint – A Review 地聚合物混凝土作为梁柱节点加固材料的研究进展
Pub Date : 2022-01-01 DOI: 10.14233/ajomc.2022.7-1-sp4.pp37-42
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引用次数: 0
PM3 Method based QSAR Study of the Derivatives of Thiadiazole and Quinoxalinefor Antiepileptic Activity using Topological Descriptors 基于PM3方法的拓扑描述子对噻二唑和喹诺啉衍生物抗癫痫活性的QSAR研究
Pub Date : 2022-01-01 DOI: 10.14233/ajomc.2022.ajomc-p370
D. Mishra, Ashutosh Singh, S. Mishra, Priti Singh, Abhishek Singh
QSAR study of the derivatives of thiadiazole and quinoxaline has been performed for the antiepileptic activity using the topological descriptors viz., molar refractivity, shape index (basic kappa, order 1), shape index (basic kappa, order 2), shape index (basic kappa, order 3), valence connectivity index (order 0, standard), valence connectivity index (order 1, standard) and valence connectivity index (order 2, standard). In the best QSAR model, the descriptors are molar refractivity, shape index (basic kappa, order 1), shape index (basic kappa, order 3) and valence connectivity index (order 0, standard). In this QSAR model, the regression coefficient is 0.872435 and cross-validation coefficient is 0.832189, which indicate that this QSAR model can be used to predict the antiepileptic activity of any compound belonging to this series. QSAR model developed using single descriptor shape index (basic kappa, order 1) or shape index (basic kappa, order 3) or valence connectivity index (order 2, standard) also has good predictive power.
利用拓扑描述符对噻二唑和喹诺啉衍生物的抗癫痫活性进行了QSAR研究,即摩尔折射率、形状指数(基本kappa, 1阶)、形状指数(基本kappa, 2阶)、形状指数(基本kappa, 3阶)、价连通性指数(0阶,标准)、价连通性指数(1阶,标准)和价连通性指数(2阶,标准)。在最佳QSAR模型中,描述符为摩尔折射率、形状指数(basickappa,阶1)、形状指数(basickappa,阶3)和价连通性指数(阶0,标准)。该QSAR模型的回归系数为0.872435,交叉验证系数为0.832189,表明该QSAR模型可用于预测该系列化合物的抗癫痫活性。采用单描述子形状指标(基本kappa,阶数为1)、形状指标(基本kappa,阶数为3)或价连通性指标(阶数为2,标准)建立的QSAR模型也具有较好的预测能力。
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引用次数: 0
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Asian Journal of Organic & Medicinal Chemistry
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