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142 results for “energy function”
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Research ArticleOpen accessIn the abstractMethanol-Based Transesterification Optimization of Waste Used Cooking Oil over Potassium Hydroxide CatalystCholada Komintarachat, Sathaporn ChuepengProblem statement: Waste used Cooking Oil (WCO) harmfully affected to environment and human’s health can be a feedstock for producing biodiesel. Approach: The conversion of Fatty Acid and Free Fatty Acid (FFA) of WCO with 15.0% w/w FFA content to biodiesel was studied through transesterification reactions. This work investigated the effects of alcohol and catalyst quantity, reaction time and temperature … …American Journal of Applied Sciences, Vol. 7, Issue 8 · 31 Aug 2010 · 9,739 accessesView PDFCite
Research ArticleOpen accessIn the abstractDensity Functional Theory Based Quantitative Structure Activity Relationship Study of 2,5-Bis(1-Aziridinyl)-p-Benzoquinones with Lymphoid LeukemiaBahjat A. Saeed, Rita S. EliasProblem statement: QSAR techniques increase the probability of success and reduce time and coast in drug discovery process. The study presented QSAR investigation on 32 bioactive aziridinylbenzoquinones that have activity against lymphoid leukemia. Approach: Molecular descriptors, molecular weight, total energy, hardness, chemical potential, electrophilicity index, HOMO and LUMO energies were calculated. Initial geometry optimizations were carried out with the AM1 … …American Journal of Applied Sciences, Vol. 7, Issue 7 · 31 Jul 2010 · 7,211 accessesView PDFCite
Research ArticleOpen accessIn the abstractA Survey of Protein Fold Recognition AlgorithmsMohammed Said Abual-Rub, Rosni AbdullahProblem statement: Predicting the tertiary structure of proteins from their linear sequence is really a big challenge in biology. This challenge is related to the fact that the traditional computational methods are not powerful enough to search for the correct structure in the huge conformational space. This inadequate capability of the computational methods, however, is a major obstacle in facing … …Journal of Computer Science, Vol. 4, Issue 9 · 30 Sep 2008 · 6,877 accessesView PDFCite
Research ArticleOpen accessIn the abstractDFT Based Electrophilicity Index and QSAR study of Phenols as Anti Leukaemia AgentFarhan A. Pasha, Hemant K. Srivastava, Yakoob Beg, Pashupati P. singhDensity Functional reactivity indices based QSAR study of 49 phenol derivatives is presented in this paper. Two different models to describe the anti leukaemia activity of phenols have been made. First QSAR model includes molecular properties like molecular weight (Mw), hardness (η), chemical potential (μ), total energy, and electrophilicity index (ω). Various regression models have been made and regression quality … …American Journal of Immunology, Vol. 2, Issue 1 · 31 Mar 2006 · 7,587 accessesView PDFCite
Research ArticleOpen accessIn the abstractDevelopment of Production Technology for Meat Products using β CaroteneAinur Matibayeva, Bagila Jetpisbayeva, Mira Serikkyzy et al.In this article, the possibility of using pumpkin in the production of meat products is investigated and justified. In order to improve the functional and technological properties of sausage, the recipe and production technology of cooked sausage using a natural source of beta carotene have been developed. Physical-chemical, functional-technological and organoleptic properties of the finished product were studied. The results … …OnLine Journal of Biological Sciences, Vol. 20, Issue 4 · 28 Dec 2020 · 6,472 accessesView PDFCite
Research ArticleOpen accessIn the abstractNumerical Study of Post-Buckling of Clamped-Pinned Pipe Carrying Fluid Under Different ParametersDahmane Mouloud, Samir Zahaf, Mawhoub Soubih et al.This research aims to calculate the first three natural frequencies and critical velocity of a fluid-conveying pipe are obtained with numerical approach with standard finite element method and this by discretizing the structure wall and internal flow, starting from beam type with two degrees of freedom per node. The determination is done to the vibrational equation from the fluid-structure coupling … …Current Research in Bioinformatics, Vol. 9, Issue 1 · 21 Sep 2020 · 12,076 accessesView PDFCite
Research ArticleOpen accessIn the abstractExperimental Validation of a Mathematical Model of the Operation of a Hydraulic Ram Pump with a Springs SystemAndriamahefasoa Rajaonison, Hery Tiana RakotondramiaranaWater pumps, which usually require fuels or power, are for carrying water from water sources to a facility, generally a household or a farm in the countryside. The present study consists of conducting an experimental validation of a mathematical model that was developed in a previous work for simulating the functioning of a new form of the hydraulic ram pump, … …American Journal of Applied Sciences, Vol. 17, Issue 1 · 14 Jun 2020 · 7,702 accessesView PDFCite
Research ArticleOpen accessIn the abstractTheoretical Investigation of Two Antiemetic Drugs at DFT LevelKhalil Errahmane Kanouni, Yacine BenguerbaThe geometries and the bonding properties have been predicted for two antiemetic drugs using Density Functional Theory method (DFT). Mulliken population and frontier molecular orbital analysis with the determination of the physicochemical properties was performed using the Amsterdam Density Functional package (ADF). To calculate the exchange-correlation energy, the Generalized Gradient Approximation of Becke-Perdew (GGA-BP) was used. The most important finding … …Current Research in Bioinformatics, Vol. 9, Issue 1 · 14 May 2020 · 11,496 accessesView PDFCite
Research ArticleOpen accessIn the abstractModeling, Simulation and Optimization of Steel Sandwich Panels under Blast LoadingSayed M. Soleimani, Nader H. Ghareeb, Nourhan H. ShakerHoneycomb sandwich panels are commonly preferred in structural engineering as a design element meant to protect against blast loading, and this owes primarily to the fact that they are light in weight (due to the voids present) whilst carrying high energy absorption capacities. A widespread surge in acts of terrorism, and the resultant threat posed to structures, presents structural engineers … …American Journal of Engineering and Applied Sciences, Vol. 11, Issue 3 · 24 Aug 2018 · 7,858 accessesView PDFCite