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生物物理化学(英文)最新文献

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The Gastropod Shell Structure as a Blueprint for a Periodic System: A New Theory for Element Configurations 腹足类壳结构作为周期系统的蓝图:元素构型的新理论
Pub Date : 2023-01-01 DOI: 10.4236/jbpc.2023.142002
N. Butto
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引用次数: 0
Analysis of Vascular Endothelial Growth Factor Receptor Tyrosine Kinase Inhibitor-Induced Left Ventricular Dysfunction 血管内皮生长因子受体酪氨酸激酶抑制剂诱导左心室功能障碍的分析
Pub Date : 2023-01-01 DOI: 10.4236/jbpc.2023.142004
Yasuhisa Hashino, Kengo Umehara, Shinya Takada, Kuninori Iwayama, Koichi Ohtaki, Hideki Sato
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引用次数: 0
The Biochemical Impact by Covalent Shielding of the Anionic Oxygen of the Phosphate Group in DNA and RNA as Methylated Phosphotriester Linkage on the Inhibition of DNA Duplication and on HIV-1 RNA Viral Infectivity Has Been Seriously Overlooked DNA和RNA中磷酸基阴离子氧作为甲基化磷酸三酯连锁共价屏蔽对DNA复制抑制和HIV-1 RNA病毒感染性的生化影响一直被严重忽视
Pub Date : 2023-01-01 DOI: 10.4236/jbpc.2023.142003
H. Buck
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引用次数: 0
Design of N-11-Azaartemisinins Potentially Active against Plasmodium falciparum by Combined Molecular Electrostatic Potential, Ligand-Receptor Interaction and Models Built with Supervised Machine Learning Methods 基于分子静电势、配体-受体相互作用和有监督机器学习方法的N-11-Azaartemisinins的设计
Pub Date : 2023-01-01 DOI: 10.4236/jbpc.2023.141001
Jeferson Stiver Oliveira de Castro, J. C. Pinheiro, Sílvia Simone dos Santos de Morais, H. Bitencourt, A. Figueiredo, M. A. Santos, Fábio dos Santos Gil, Ana Cecília Barbosa Pinheiro
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引用次数: 0
DFT Studies on Molecular Structure, Thermodynamics Parameters, HOMO-LUMO and Spectral Analysis of Pharmaceuticals Compound Quinoline (Benzo[b]Pyridine) 药物化合物喹啉(苯并[b]吡啶)分子结构、热力学参数、HOMO-LUMO及光谱分析的DFT研究
Pub Date : 2022-01-01 DOI: 10.4236/jbpc.2022.133003
Meselu Eskezia Ayalew
Advances in computational chemistry have greatly increased its effectiveness and attractiveness as an emerging adjunct to experimental chemistry but also as an independent research field. This work studied some basic bonding Parameters, geometry, Uv-Visible spectra, HOMO-LUMO and harmonic vibrational frequencies of Quinoline were investigated by using density functional theory (DFT/6-31+ (d, p)) methods. The calculated wave numbers (B3LYP) agree properly with the determined wave numbers. The results obtained are then as compared with experimental statistics in which available. The structural parameters; thermochemistry, rotational constants, IR spectra and frequencies, bond distances, angles and dipole moment were obtained from the optimized stable geometries of the compound. The computed optimized geometric bond lengths and bond angles show good agreement with experimental data of the title compound. The calculated HOMO and LUMO energies indicate that charge transfer occurs within the molecule.
计算化学的发展大大提高了它的有效性和吸引力,不仅是实验化学的一个新兴的辅助研究领域,也是一个独立的研究领域。本文采用密度泛函理论(DFT/6-31+ (d, p))方法研究了喹啉的基本键合参数、几何形状、紫外可见光谱、HOMO-LUMO和谐波振动频率。计算波数(B3LYP)与实测波数吻合较好。然后将所得结果与可用的实验统计数据进行比较。结构参数;通过优化后的稳定几何结构得到了化合物的热化学性质、旋转常数、红外光谱和频率、键距、角度和偶极矩。优化后的几何键长和键角与实验数据吻合较好。计算出的HOMO和LUMO能量表明分子内发生了电荷转移。
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引用次数: 1
Chemometric Analysis of Volatile Compounds of NIPRINEEM Oil and Other Brands of Neem Seed Oils Sold in Nigeria 在尼日利亚销售的NIPRINEEM油和其他品牌印楝籽油挥发性化合物的化学计量分析
Pub Date : 2022-01-01 DOI: 10.4236/jbpc.2022.131001
O. Adigwe, J. Ibrahim, A. Adamu, Samuel Ehiabhi Okhale, A. Elias, H. Egharevba
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引用次数: 3
Nicotinamide Adenine Dinucleotide and Adenosine Triphosphate Oscillations Caused by Gradual Entry of Substrates within Mitochondria 线粒体内底物逐渐进入引起的烟酰胺腺嘌呤二核苷酸和三磷酸腺苷振荡
Pub Date : 2022-01-01 DOI: 10.4236/jbpc.2022.132002
T. Hideshima, M. Nishimura
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引用次数: 0
Antioxidant Activity Evaluation in a Series of Heterocyclic Compounds Derived from 1,8-Diaminonaphthalene 一系列1,8-二氨基萘杂环化合物的抗氧化活性评价
Pub Date : 2021-02-08 DOI: 10.4236/JBPC.2021.121001
Tuo Nanou Tiéba, Kangah Niameke Jean Baptiste, Ballo Daouda, Kablan Ahmont Landry Claude, Kodjo Charles Guillaume, Yapo Ossey Bernard, Ziao Nahossé
From (2,3-dihydro-1H-perimidin-2-yl)-phenyl, the substitution of OH group in ortho or para position on the phenyl ring, allows us to synthesize the studied compounds. These three compounds have been characterized by conventional spectroscopic methods (NMR and MS). The interest of this work is to review the antioxidant activity of our compounds. The antioxidant activity screening carried out according to FRAP and DPPH methods revealed significant anti-free radical properties for compounds 1 and 2 even at low concentrations. In contrast to the compound 2, compound 3 for which the OH group is substituted in para position has the lowest activity in both cases. Therefore the para position seems to be the least sensitive position to increase the antioxidant activity of this pharmacophore.
由(2,3-二氢- 1h -苝酰亚胺-2-基)-苯基,取代苯基环上的邻位或对位羟基,可以合成所研究的化合物。这三种化合物已经用常规的光谱方法(核磁共振和质谱)进行了表征。本研究的目的是对化合物的抗氧化活性进行综述。根据FRAP和DPPH方法进行的抗氧化活性筛选显示,化合物1和2即使在低浓度下也具有显著的抗自由基活性。与化合物2相反,羟基在对位上被取代的化合物3在两种情况下都具有最低的活性。因此,para位置似乎是增加该药效团抗氧化活性的最不敏感的位置。
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引用次数: 2
Determination of Organochlorine and Synthetic Pyrethroid Pesticide Residues in Water Samples Collected from Different Locations of Bangladesh 孟加拉不同地点水样中有机氯及合成拟除虫菊酯农药残留量的测定
Pub Date : 2021-01-01 DOI: 10.4236/jbpc.2021.122002
M. Prodhan, M. Ahmed, N. K. Dutta, D. Sarker, S. Alam
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引用次数: 8
Effect of Processing Method on Carotenoid Profiles of Oils from Three Varieties of Nigerian Palm Oil (Elaise guinensis) 加工方法对3种尼日利亚棕榈油类胡萝卜素谱的影响
Pub Date : 2021-01-01 DOI: 10.4236/jbpc.2021.123003
S. Eze, Joshua Nkechukwu Orji, V. U. Okechukwu, D. Omokpariola, T. C. Umeh, Nwanneamaka Rita Oze
This study assessed the effect of processing method on the carotenoid profile of oil from three varieties of Nigerian oil palm fruits (Elaise guinensis). Specific varieties of the Elaise guinensis, which are the dura, pesifera and tenera were obtained from National Institute for Oil Palm Research (NIFOR) in Edo state, Nigeria. The samples were divided into two and processed using two different methods as commonly practiced in south-eastern Nigeria, the hot and cold processes. The oil extracted from each of the processes was then analyzed for oil characteristics using standard analytical methods while the carotenoid profile was analyzed using HPLC C-21 column. The results gener-ated were subjected to the one-way analysis of variance (ANOVA). The results of carotenoid constituent identified include: lutein, neurosporene (trans), neurosporene (cis), α-Zeacarotene(cis), α-Zeacarotene(trans), phytoene, phy-tofluene, β-zeacarotene, 13 and 13’ cis α-carotene, 13 cis β-carotene, trans α-carotene, 9 cis α-carotene, ference exists between the mean of each of the processing methods on the carotenoid profile of the oil sample analyzed.
本研究评估了加工方法对尼日利亚三种油棕果实(Elaise guinensis)油类胡萝卜素的影响。几内亚Elaise的特定品种为dura、pesifera和tenera,来自尼日利亚埃多州国家油棕研究所(NIFOR)。样品被分成两份,并使用尼日利亚东南部常用的两种不同方法进行处理,即热法和冷法。采用标准分析方法对各工序提取的油进行油特性分析,采用高效液相色谱C-21柱分析类胡萝卜素谱。产生的结果进行单因素方差分析(ANOVA)。类胡萝卜素成分鉴定结果包括:叶黄素、神经孢素(反式)、神经孢素(顺式)、α-玉米胡萝卜素(顺式)、α-玉米胡萝卜素(反式)、植物烯、植物烯、β-玉米胡萝卜素、13和13′顺式α-胡萝卜素、13顺式β-胡萝卜素、反式α-胡萝卜素、9顺式α-胡萝卜素,各处理方法对所分析油样类胡萝卜素谱的平均值存在差异。
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引用次数: 0
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生物物理化学(英文)
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