Search Results - "molecule"

First Principle Investigations Of Hydrogen Adsorption In Metal Organic Framework-5 by Hussim, Muhammad Hafiz

“…Model molecule M5 was tested for multiple hydrogen molecules adsorption using partial optimization method.…”
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Identification and characterization of novel anticancer molecules from various animals by Shareni, Jeyamogan

“…Reptile sera were then subjected to Liquid chromatography–mass spectrometry and 9 molecules were identified from V. salvator, 20 molecules from R. malayanus, 9 molecules from C. kamaroma amboinensis, 19 molecules from Crocodylus porosus. …”
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Quasiclassical trajectory study of six-centered bond exchange reaction between hydrogen molecules by Ibrahim Ali , Noorbatcha

“…The termolecular reaction between three hydrogen molecules is modelled as occurring between a dimer (H2)2 and a hydrogen molecule. …”
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Benzoic acid-2-{(E)-[(E)-2-(2-pyridylmethylidene)hydrazin-1-ylidene]methyl}p yridine (2/1) by Arman, Hadi D., Kaulgud, Trupta, Tiekink, Edward R.T.

“…Layers of 2-pyridinealdazine molecules in the ab plane are sandwiched by benzoic acid molecules being connected by O-H center dot center dot center dot N and C-H center dot center dot center dot O interactions, the latter involving the carbonyl O atom so that each benzoic acid molecule links three different 2-pyridinealdazine molecules. …”
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Vibration spectrum of a two-soliton molecule in dipolar Bose–Einstein condensates by Turmanov, B. Kh., Baizakov, Bakhtiyor B, Umarov, Bakhram, Abdullaev, Fatkhulla

“…When the parametric perturbation is sufficiently strong the molecule breaks up into individual solitons, like the dissociation of ordinary molecules. …”
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1-{3-[(4-Oxopiperidin-1-yl)carbonyl]benzoyl}piperidin-4-one by Rajesh, K., Vijayakumar, V., Sarveswari, S., Narasimhamurthy, T., Tiekink, E.R.T.

“…The first independent molecule and the minor component of the second disordered molecule are virtually superimposable. …”
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Crystal structure of 5-(1,3-dithian-2-yl)-2H-1,3-benzodioxole by Zukerman-Schpector, J., Caracelli, I., Stefani, H.A., Gozhina, O., Tiekink, E.R.T.

“…The difference between the molecules rests in the conformation of the five-membered 1,3-dioxole ring which is an envelope in molecule A (the methylene C atom is the flap) and almost planar in molecule B (r.m.s. deviation = 0.046 Å). …”
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Prediction of interaction of citric acid modified cellulose with water region using molecular modelling technique: article by Wan Mohamed Daid, Wan Nor Asyikin, Anuar, Nornizar

“…The simulation result showed that for water loading less than 20 molecules, the interaction between water molecules and CAMC is higher at temperature 311K, whilst for water loading higher than 20 molecules, the interaction weakens at higher temperature. …”
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Chapter 14: Kinetic Theory of Gases by Saifful Kamaluddin, Muzakir

“…Kinetic theory of gases, assumes that the molecules are very small relative to the distance between molecules. …”
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Scattering of a two-soliton molecule by Gaussian potential barriers and wells by Umarov, Bakhram A., Mohd Busul Aklan, Nor Amirah, Baizakov, Bakhtiyor B, Abdullaev, Fatkhulla

“…At sufficiently low velocity of the incident molecule we observe quantum reflection from the potential well. …”
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Effects of gas‐phase collisions in rapid desorption of molecules from surfaces in the presence of coadsorbates by Ibrahim Ali , Noorbatcha, Lucchese, Robert R., Zelri, Yehuda

“…In a gas mixture containing molecules as the minor constituents (10%) and atoms as the major constituents (90%), atoms are found to be more focused towards the surface normal than the molecules and the mean translational energies of the molecules are found to be less than those calculated in the desorption of pure molecules under similar conditions. …”
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2-(1,3-Diphenylpropen-1,3-diolato)-1,3,2-(5-formylbenzo)dioxaborol: A `whole-molecule disorder' crystal structure by Ng, S.W.

“…The boron atom in C(22)E(15)BO(5) is O,O'-chelated by the anions in a tetrahedral geometry, with the planar five- and six-membered chelate rings being orthogonal to each other. The molecule lies on a two-fold rotation axis. The molecule is disordered with respect to another molecule in a 93:7 ratio; the treatment of the `whole-molecule disorder' by employing a large number of restraints is described. …”
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Tilianin: A Potential Natural Lead Molecule for New Drug Design and Development for the Treatment of Cardiovascular Disorders by Farrah, Syazana Khattulanuar, Mahendran, Sekar, Fuloria, Shivkanya, Gan, Siew Hua, Nur Najihah, Izzati Mat Rani, Ravi, Subban, Chidambaram, Kumarappan, Begum, M Yasmin, Abdul Kalam, Azad, Jeyabalan, Srikanth, Dhiravidamani, Arulmozhi, Thangavelu, Lakshmi, Lum, Pei Teng, Vetriselvan, Subramaniyan, Wu, Yuan Seng *, Kathiresan, V Sathasivam, Fuloria, Neeraj Kumar

“…Finally, we discuss tilianin-derived compounds, as well as the limitations and opportunities of using tilianin as a lead molecule in drug development for CVDs. Overall, the scientific evidence presented in this review supports that tilianin and its derivatives could be used as a lead molecule in CVD drug development initiatives.…”
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Scattering of a two-soliton molecule by Gaussian potentials in dipolar Bose–Einstein condensates by Umarov, Bakhram A., Mohd Busul Aklan, Nor Amirah, Baizakov, Bakhtiyor B., Abdullaev, Fatkhulla Kh.

“…Collisions of soliton molecules with single solitons are investigated, the latter playing the role of a localized defect. …”
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Prediction of interaction of citric acid modified cellulose with water region using molecular modelling technique by Wan Mohamed Daid, Wan Nor Asyikin

“…The simulation result showed that for water loading less than 20 molecules, the interaction between water molecules and CAMC is higher at temperature 311K, whilst for water loading higher than 20 molecules, the interaction weakens at higher temperature. …”
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Local composition-regular solution theory for analysis of pharmaceutical solubility in mixed-solvents by Lee, Jia Lin, Chong, Gun Hean, Kanno, Asami, Ota, Masaki, Guo, Haixin, Smith, Richard Lee

“…Partial molar excess enthalpies and entropies of the API in the mixed-solvents determined from the LC-RST model allowed estimation of API solubility regions where specific interactions occur between API and HBD-HBA complex molecules. In the correlation scheme, component numbers were designated as API molecule (1) – HBD molecule (2) - HBA molecule (3) and systems were grouped according to HBD molecule interactions with the API (pro-solvent, anti-solvent, synergistic with HBA molecule). …”
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Recent developments in β-cell differentiation of pluripotent stem cells induced by small and large molecules by Kumar, S. Suresh, Alarfaj, Abdullah Abdulaziz A., Murugan, Alwarkurichi Munusamy, Singh, A. J. A. Ranjith, Peng, I. Chia, Priya, Sivan Padma, Awang Hamat, Rukman, Higuchi, Akon

“…The small and large molecules that are described in this review have significantly advanced efforts to cure diabetic disease. …”
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2,2 `-(Disulfanediyl)dibenzoic acid-2,9-dimethylphenanthroline-tetrahydrofuran (1/2/1) by Arman, H.D., Kaulgud, T., Tiekink, E.R.T.

“…The asymmetric unit of the title co-crystal solvate, C(14)H(10)O(4)S(2)center dot 2C(14)H(12)N(2)center dot C(4)H(8)O, comprises a 2,2'-(disulfanediyl) dibenzoic acid molecule, two molecules of 2,9-dimethylphenanthroline and a tetrahydrofuran (THF) solvent molecule. …”
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Evaluating the potential of Nuig2 metal-organic framework for adsorption of short linear alkanes at low pressure by Borzehandani, Mostafa Yousefzadeh, Abdulmalek, Emilia, Abdul Rahman, Mohd Basyaruddin, Mohammad Latif, Muhammad Alif

“…On the other hand, C1 molecules were able to be freely situated in all pores, but C4 molecules were accommodated only into the largest channels. …”
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N-{4-[(3,4-Dimethylphenyl)sulfamoyl]phenyl}acetamide by Khan, I.U., John, P., Khizar, S., Sharif, S., Tiekink, E.R.T.

“…Overall, both molecules adopt a U shape but with significant twisting evident, particularly in the second independent molecule [dihedral angles between benzene rings = 63.90 (13) and 35.78 (11)degrees]. …”
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