Relevant bibliographies by topics / McMaster University Organosilicon compounds

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  1. Journal articles
  2. Dissertations / Theses

Academic literature on the topic 'McMaster University Organosilicon compounds'

Author: Grafiati
Published: 4 June 2021
Last updated: 1 February 2022

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Journal articles on the topic "McMaster University Organosilicon compounds"

1

Rogers, David, Robert D. Brown, and Mathew Hahn. "Using Extended-Connectivity Fingerprints with Laplacian-Modified Bayesian Analysis in High-Throughput Screening Follow-Up." Journal of Biomolecular Screening 10, no. 7 (2005): 682–86. http://dx.doi.org/10.1177/1087057105281365.

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This article describes the use of a combination of extended-connectivity fingerprints (ECFPs) and Laplacian-modified Bayesian analysis in a study of the inhibition of Escherichia coli dihydrofolate reductase. The McMaster High-Throughput Screening Lab at McMaster University proposed a competition to predict the hits in a separate test set of 50,000 compounds. Although the problem seemed best approached with 3D methods, the authors show that 2D methods offer surprisingly competitive results with a low computational cost.
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Lang, Paula Therese, Irwin D. Kuntz, Gerald M. Maggiora, and Jürgen Bajorath. "Evaluating the High-Throughput Screening Computations." Journal of Biomolecular Screening 10, no. 7 (2005): 649–52. http://dx.doi.org/10.1177/1087057105281269.

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The judges evaluated the submissions for the McMaster University High-Throughput Data-Mining and Docking Competition based on 3 criteria: identification of active compounds, percent enrichment, and overview of the competition. Using these metrics, 4 of the participating groups found meaningful enrichment, and 3 groups made perceptive comments about the general nature of the competition.
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Gagarin, Andrei, Vladimir Makarenkov, and Pablo Zentilli. "Using Clustering Techniques to Improve Hit Selection in High-Throughput Screening." Journal of Biomolecular Screening 11, no. 8 (2006): 903–14. http://dx.doi.org/10.1177/1087057106293590.

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A typical modern high-throughput screening (HTS) operation consists of testing thousands of chemical compounds to select active ones for future detailed examination. The authors describe 3 clustering techniques that can be used to improve the selection of active compounds (i.e., hits). They are designed to identify quality hits in the observed HTS measurements. The considered clustering techniques were first tested on simulated data and then applied to analyze the assay inhibiting Escherichia coli dihydrofo-late reductase produced at the HTS laboratory of McMaster University.
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Smith, J. David. "Colin Eaborn. 15 March 1923 – 22 February 2004." Biographical Memoirs of Fellows of the Royal Society 51 (January 2005): 101–18. http://dx.doi.org/10.1098/rsbm.2005.0007.

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Colin Eaborn was a distinguished chemist, best known for his wide–ranging contributions to organosilicon chemistry. His 566 publications, published over a 56–year period, covered a broad area that included physical organic chemistry, organometallic compounds generally, and coordination chemistry. He was a founding professor at the new University of Sussex and exercised considerable influence on the development of university education in chemistry during the big expansion of the 1960s. He served on a number of public committees, including the Council of the Royal Society from 1978 to 1980 and 1988 to 1989, and, as an editor of the Journal of Organometallic Chemistry, played an important part in setting high standards of presentation and clarity in the chemical literature.
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Syrkov, Andrey G., Vadim R. Kabirov, Alexander P. Pomogaibin, and Ngo Kuok Kkhan. "Electrophilic-nucleophilic properties as a factor in the formation of antifriction and hydrophobic properties of surface-modified metals with ammonium and organosilicon compounds." Kondensirovannye sredy i mezhfaznye granitsy = Condensed Matter and Interphases 23, no. 2 (2021): 282–90. http://dx.doi.org/10.17308/kcmf.2021.23/3478.

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Stabilisation of the functional properties of dispersed and compact metals, as well as the regulation of their reactivity, improvement of water-repellent, antifriction and anti-corrosion properties by creating the protective films on the surface is an urgent problem in relation to obtaining new materials. Previously, research conducted at REC “Nanotechnology” of the St. Petersburg Mining University proved that chemisorption of ethylhydridesiloxane vapours together with surfactants based on quaternary ammonium compounds has a beneficial effect on the water-repellent properties of metals. In order to obtain the physicochemical mechanism of the hydrophobisation of the surface of modified dispersed metals for the firsttime, the study of the electrophilic-nucleophilic properties of the active substances of the surface modifiers of metals was carried out using the methods of quantum-chemical modelling using HyperChem software package. The dipole moment, energy of the highest occupied and the lowest unoccupied molecular orbitals, electrophilic-nucleophilic properties were determined. The series of enhancement of ucleophilic/electrophilic properties and dipole moment for modifiers were obtained. The donor-acceptor properties, the differences in the characteristics of the molecules of alkamon, triamon, and hydrophobic silicone organic liquid were quantitatively and qualitatively established. The regularities of the formation of hydrophobic and antifriction properties in the composition of industrial oil I-20-surface-modified metal with various electrophilic-nucleophilic properties of the applied substances
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Musina, Diana T., Vadim R. Karibov, and Ngo Q. Khanh. "Electrophilic and Nucleophilic Modifiers as a Factor of Formation of Lipophilic Properties of Surface-Modified Materials." Materials Science Forum 1040 (July 27, 2021): 94–100. http://dx.doi.org/10.4028/www.scientific.net/msf.1040.94.

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Stabilization of the functional properties of dispersed and compact solid metals, as well as regulation of their reactivity, improvement of water-repellent, antifriction and anti-corrosion properties by creating the protective films on the surface is an urgent problem of obtaining resource-saving materials. Previously, the research conducted at REC "Nanotechnology" of Mining University proved that chemisorption of ethylhydridesiloxane vapors together with cationic surfactants based on quaternary ammonium compounds has a beneficial effect on the water-repellent properties of metals. In order to obtain the physicochemical substantiation of the effect of hydrophobization of the surface of modified dispersed metals for the first time, the study of the electrophilic-nucleophilic properties of the active substances of the surface modifiers of dispersed and compact metals was carried out using the methods of quantum-chemical modeling in HyperChem software package. The dipole moment, energy of the highest occupied and the lowest unoccupied molecular orbitals, electrophilic-nucleophilic properties were determined. The series of enhancement of nucleophilic/electrophilic properties and dipole moment for modifiers were obtained. The donor-acceptor properties, the differences in the characteristics of the molecules of alkamone (A), triamone (T) and hydrophobic silicone organic liquid were quantitatively and qualitatively established. The patterns of the formation of hydrophobic properties of the surface during the layering of molecules of ammonium and organosilicon compounds with different electrophilic-nucleophilic properties on dispersed metals have been established. Recommendations for the use of modifiers for the production of high - and superhydrophobic materials are proposed.
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Dissertations / Theses on the topic "McMaster University Organosilicon compounds"

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O'Hair, Richard Alfred John. "Studies in gas phase ion chemistry : a thesis presented for the degree of Doctor of Science in the Faculty of Science of the University of Adelaide /." Title page, table of contents and summary only, 2004. http://web4.library.adelaide.edu.au/theses/09SD/09sdo362.pdf.

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