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16 articles for “modeling compound”
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Research ArticleOpen accessEvery word in the titleLeast Absolute Deviation Regression and Least Squares for Modeling Retention Indices of Set Compounds Food and Pollutants of the EnvironmentFatiha Mebarki, Khadija Amirat, Salima Ali Mokhnach, Djellol MessadiConsidering the importance of the statistical analysis of regression in modeling based separately on study for Quantitative structure retention indices on Carbowax 20 M (ICw20M) and OV-101 columns (IOV-101) relationships (QSRR) are determined for 114 pyrazines. The detection of influential observations for the standard least squares regression model is a problem which has been extensively studied. Least Absolute Deviation regression … …American Journal of Applied Sciences, Vol. 14, Issue 5 · 5 Jun 2017 · 7,424 accessesView PDFCite
Research ArticleOpen accessEvery word in the titleQSAR Modeling of Thirty Active Compounds for the Inhibition of the Acetylcholinesterase EnzymeNour El Houda Hammoudi, Yacine Benguerba, Widad SobhiThis work aims at developing a reliable and predictive QSAR model which allows, on one hand, an exploration of the main molecular descriptors responsible for the inhibitory activity towards the Acetylcholinesterase enzyme and, on the other hand, predict the inhibitory activity of new compounds before testing them experimentally. This study involves a series of DL0410 and its 29 DL0410 derivatives. … …Current Research in Bioinformatics, Vol. 8, Issue 1 · 2 Mar 2020 · 11,426 accessesView PDFCite
Research ArticleOpen accessIn the keywordsSilicone Modeling of the Interior Spaces of Hollow Organs: Use in Dog and Manatee Respiratory Tract and in a Beef HeartCharles J. Grossman, Richard Hamilton, Lisa A. Close-Jacob et al.Problem statement: The mechanism, by which the Florida manatee (Trichechus manatus latirostris) vocalizes, remains unknown because the manatee larynx does not contain true vocal cords. Since sound can be generated when air passes through a narrow respiratory structure we needed to visualize the internal anatomy of manatee respiratory tract to locate any candidate regions for study. Approach: To visualize the … …OnLine Journal of Biological Sciences, Vol. 11, Issue 1 · 6 Jul 2011 · 7,803 accessesView PDFCite
Research ArticleOpen accessIn the abstractIntegrated Monitoring of Endocrine-Disrupting Chemicals: Analytical Chemistry and Biological Assessment ApproachesChangjin Li, Jing Huo, Zijun Dou et al.Endocrine-Disrupting Chemicals (EDCs) in aquatic environments pose significant threats to ecosystems and human health. These compounds interfere with hormonal regulation at low concentrations and have non-monotonic dose-response relationships, posing challenges to conventional risk assessment. This review systematically compares current EDC monitoring methods, including instrumental chemical analysis and receptor-based biological detection systems, to evaluate sensitivity thresholds, sample throughput, and mechanistic selectivity … …American Journal of Biochemistry and Biotechnology, Vol. 22, Issue 2 · 3 Jul 2026 · 1,081 accessesView PDFCite
Research ArticleOpen accessIn the abstractIn Silico Cholinesterase and Monoamine Oxidase Inhibitory Activities of Perillaldehyde and D-Limonene, Main Compounds of Essential Oil of Algerian Ammodaucus leucotrichusNesrine Sadaoui-Smadhi, Souad Khemili-Talbi, Wadood Abdul et al.In a continuation of our previous work for the exploration of novel enzyme inhibitors, molecular modeling was used to inspect the binding mode of perillaldehyde and D-limonene, the major compounds of essential oil of Algerian Ammodaucus leucotrichus into the active site pocket of cholinesterase (AChE and BuChE) and Monoamine Oxidase (MAO). The molecular docking was carried out using Molecular Operating … …Current Research in Bioinformatics, Vol. 8, Issue 1 · 28 Feb 2020 · 7,313 accessesView PDFCite
Research ArticleOpen accessIn the abstractA Toolkit Approach for Carbon Capture and Storage in Offshore Depleted Gas FieldRaj Deo Tewari, Tan Chee Phuat, Mohd Faizal SedaralitFossil fuels are considered a dependable, cost-effective, and efficient energy source and their utilization has resulted in tremendous growth for humanity. However, it has its downside also. Experts are of the view that present energy systems are unsustainable due to their detrimental impacts on the environment. Oil and gas producers are charged that their infrastructure, utilization of materials and technologies … …American Journal of Environmental Sciences, Vol. 19, Issue 1 · 17 May 2023 · 6,196 accessesView PDFCite
EditorialOpen accessIn the abstractFocalize the Structure of Myd88 in TLR Signaling Pathway to Modulate Innate Immune Response: New Target for Old DiseasesShuai Xing, Ping ZhouAll diseases have their Achilles’ Heel to target and this is especially true for immunorelated diseases which must be treated by targeting the immune system somewhere and somehow correctly. In the most recent decade, immunologists recognized that the Toll-Like Receptor (TLR) signaling pathway in innate immune system plays a double-edged role in the pathogenesis of many notorious diseases. Although the … …American Journal of Immunology, Vol. 13, Issue 3 · 6 Sep 2017 · 7,862 accessesView PDFCite
Research ArticleOpen accessIn the abstractProbing the Substrate Specificity and Intersubunit Interactions of Brevundimonas Diminuta Glutaryl Acylase with Site-Directed MutagenesisMichael Eldarov, Anna Lyashenko, Tatyana Sherbakova et al.Glutaryl-7-ACA acylases (GLA) are industrial enzymes widely used for the production of 7-aminocepahlosporanic acid (7-ACA)-the starting compound for manufacturing of semisynthetic cephalosporin antibiotics. Generation of mutant GLA's with increased activity and stability, capability for single-step conversion of cephalosporin C (CPC) directly to 7-ACA is a promising route to improve the current biocatalytic technologies. In this study GLA from Brevundimonas diminuta … …American Journal of Biochemistry and Biotechnology, Vol. 10, Issue 3 · 12 Nov 2014 · 8,160 accessesView PDFCite
Research ArticleOpen accessIn the abstractSulfur Dioxide and Volatile Organic Compound Exposure to a Community in Texas City, Texas Evaluated Using Aermod and Empirical Monitoring DataJoyce A. Chen, Andrew R. Zapata, Anders J. Sutherland et al.According to emissions data reported to the United States Environmental Protection Agency (USEPA) and the Texas Commission on Environmental Quality (TCEQ), the BP Products North America Inc. (BP) Texas City Refinery is the worst polluter of all the industries in Texas City and is one of the worst polluting refineries in the country. The facility has reported releasing substantial emissions … …American Journal of Environmental Sciences, Vol. 8, Issue 6 · 1 Jan 2013 · 8,715 accessesView PDFCite
Research ArticleOpen accessIn the abstractDeveloping a Computer Program for the Methods of Radius-Estimating Techniques for Horizontal CurvesAsma Th. Ibraheem, Fatin JananProblem statement: This study discusses the development of computer software of two phases. First phase contains the calculations of all curve elements of the four types of the horizontal curve and second phase contains the modeling of the ten methods of estimating the radius of the horizontal curve. Approach: The program is named as HCRET, which stands for Horizontal Curves … …American Journal of Engineering and Applied Sciences, Vol. 4, Issue 2 · 13 Jul 2011 · 8,028 accessesView PDFCite