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Chemicals, plastics and rubber industries

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Molecular recognition of 1-(2-octadecyloxycarbonylethyl) cytosine monolayers to guanosine at the air-water interface investigated by infrared reflection-absorption spectroscopy

Article Abstract:

Molecular recognition of 1-(2-octadecyloxycarbonylethyl) cytosine monolayers at the air-water interface to complementary guanosine bases in the subphase is studied using infrared reflection-absorption spectroscopy. The reduction in intensities of vibrational bands of the cytosine rings proves that the cytosine rings undergo a flat-on orientation before molecular recognition to an end-on one after molecular recognition.

Author: Xuezhong Du, Yingqiu Liang, Wangen Miao
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
United States, Reflectance spectroscopy, Molecular spectroscopy

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A molecular dynamics exploration of the catalytic mechanism of yeast cytosine deaminase

Article Abstract:

A study is carried out to investigate the yeast cytosine deaminase (yCD), a zinc metalloenzyme of significant biomedical interest. These investigations are carried out by using a series of molecular dynamics simulations in its free form and complexed with its reactant (cytosine), product (uracil), several reaction intermediates, and an intermediates analogue.

Author: Cukier, Robert I., Lishan Yao, Sklenak, Stepan, Honggao Yan
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
Analysis, Molecular dynamics, Metalloenzymes, Quantum chemistry, Properties, Structure

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Homopairing possibilities of the DNA bases cytosine and guanine: An ab initio DFT study

Article Abstract:

A study to report all the planer homopairing of the DNA bases cytosine and guanine was conducted. The results revealed that 11 cytosine and 15 guanine homopairs remained after atomic relaxation performed using the ab initio density functional theory and had significant binding energies varying from -0.19 to 1.12 electron-volts (eV).

Author: Kantorovich, L.N., Kelly, R.E.A, Y.J. Lee
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
Guanine, Density functionals, Density functional theory

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Subjects list: Usage, Cytosine, Chemical properties, Atomic properties
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