Effect of water molecules on the fluorescence enhancement of Aflatoxin B1 mediated by Aflatoxin B1:β-cyclodextrin complexes. A theoretical study

2007 ◽  
Vol 6 (1) ◽  
pp. 110-118 ◽  
Author(s):  
Guillermo Ramírez-Galicia ◽  
Ramón Garduño-Juárez ◽  
M. Gabriela Vargas
Keyword(s):  
Aflatoxin B1 ◽  
Fluorescence Enhancement ◽  
Theoretical Study ◽  
Water Molecules ◽  
Cyclodextrin Complexes ◽  
Effect Of Water

Cooperative effect of water molecules in the self-catalyzed neutral hydrolysis of isocyanic acid: a comprehensive theoretical study

2010 ◽  
Vol 17 (8) ◽  
pp. 2069-2082 ◽  
Author(s):  
Xi-Guang Wei ◽  
Xiao-Ming Sun ◽  
Xiao-Peng Wu ◽  
Song Geng ◽  
Yi Ren ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Cooperative Effect ◽  
The Self ◽  
Isocyanic Acid ◽  
Water Molecules ◽  
Effect Of Water ◽  
Hydrolysis Of

Defects controlled by acid-modulators and water molecules enabled UiO-67 for exceptional toluene uptakes: An experimental and theoretical study

2021 ◽  
pp. 131573
Author(s):  
Xiaodong Zhang ◽  
Xiaoyu Shi ◽  
Qiangyu Zhao ◽  
Yintao Li ◽  
Jinfeng Wang ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Water Molecules

Theoretical study of the magnetic properties of water molecules in non-uniform magnetic fields

1994 ◽  
Vol 305 ◽  
pp. 89-99 ◽  
Author(s):  
M.C. Caputo ◽  
M.B. Ferraro ◽  
P. Lazzeretti ◽  
M. Malagoli ◽  
R. Zanasi
Keyword(s):  
Magnetic Properties ◽  
Magnetic Fields ◽  
Theoretical Study ◽  
Water Molecules

Role of Lactone Ring in Structural, Electronic, and Reactivity Properties of Aflatoxin B1: A Theoretical Study

2010 ◽  
Vol 59 (3) ◽  
pp. 393-406 ◽  
Author(s):  
Inés Nicolás-Vázquez ◽  
Abraham Méndez-Albores ◽  
Ernesto Moreno-Martínez ◽  
René Miranda ◽  
Miguel Castro
Keyword(s):  
Aflatoxin B1 ◽  
Theoretical Study ◽  
Lactone Ring

Notable effect of water on excess electron attachment to aqueous DNA deoxyribonucleosides

2019 ◽  
Vol 21 (17) ◽  
pp. 8925-8932 ◽  
Author(s):  
Yan Zhang ◽  
Jiayue Wang ◽  
Songqiu Yang
Keyword(s):  
Electron Attachment ◽  
Excess Electron ◽  
Water Molecules ◽  
Effect Of Water ◽  
Notable Effect ◽  
Excess Electrons

As excess electrons are vertically attached to aqueous deoxyribonucleosides, ∼50% of excess electrons would be delocalized over the water molecules.

scholarly journals Water Absorption and Hygrothermal Aging Behavior of Wood-Polypropylene Composites

Polymers ◽  
2020 ◽  
Vol 12 (4) ◽  
pp. 782 ◽  
Author(s):  
Wei Wang ◽  
Xiaomin Guo ◽  
Defang Zhao ◽  
Liu Liu ◽  
Ruiyun Zhang ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Water Absorption ◽  
Natural Fiber ◽  
Glass Fibers ◽  
Diffusion Constant ◽  
Water Molecules ◽  
Wood Powder ◽  
Polypropylene Composites ◽  
Effect Of Water ◽  
Composite Samples

Environmentally sound composites reinforced with natural fibers or particles interest many researchers and engineers due to their great potential to substitute the traditional composites reinforced with glass fibers. However, the sensitivity of natural fiber-reinforced composites to water has limited their applications. In this paper, wood powder-reinforced polypropylene composites (WPCs) with various wood content were prepared and subjected to water absorption tests to study the water absorption procedure and the effect of water absorbed in the specimens on the mechanical properties. Water soaking tests were carried out by immersion of composite specimens in a container of distilled water maintained at three different temperatures, 23, 60 and 80 °C. The results showed that the moisture absorption content was related to wood powder percentage and they had a positive relationship. The transfer process of water molecules in the sample was found to follow the Fickian model and the diffusion constant increased with elevated water temperature. In addition, tensile and bending tests of both dry and wet composite samples were conducted and the results indicated that water absorbed in composite specimens degraded their mechanical properties. The tensile strength and modulus of the composites reinforced with 15, 30, 45 wt % wood powder decreased by 5.79%, 17.2%, 32.06% and 25.31%, 33.6%, 47.3% respectively, compared with their corresponding dry specimens. The flexural strength and modulus of the composite samples exhibited a similar result. Furthermore, dynamic mechanical analysis (DMA) also confirmed that the detrimental effect of water molecules on the composite specimens.

Dissociation of H2O molecule adsorbed on Si (001) 2×1 surface: a theoretical study

2008 ◽  
Vol 1145 ◽  
Author(s):  
Hyun-Chul Oh ◽  
Hwa-Il Seo ◽  
Yeong-Cheol Kim
Keyword(s):  
Water Molecule ◽  
Room Temperature ◽  
Surface Coverage ◽  
Theoretical Study ◽  
Surface Model ◽  
Water Molecules ◽  
First Principles Calculations ◽  
Adsorption Sites ◽  
Adsorption Surface ◽  
Adsorption And Dissociation

AbstractThe adsorption and dissociation behavior of water molecule below and above the critical dissociation temperatures were studied by first principles calculations. We found that water-molecule adsorption (surface coverage, θ=0.25) on the down Si atom of a Si dimer in two dimers surface model was 0.26 eV more favorable than that on the up Si atom. The activation energies of water molecule on the down Si atom for interdimer and intradimer dissociations were 0.17 eV and 0.20 eV, respectively. Due to the lower activation energy, the water molecule splits into H and OH immediately once it adsorbs on down Si atom of the Si (001) surface at room temperature. There were three different adsorption sites among four sites of the two dimers for the second water molecule (θ=0.5): one was preoccupied by OH of the first water molecule; up Si atom of the same-dimer with 76.3 % probability, up Si atom of the adjacent-dimer with 23.6 % probability, and down Si atom of the adjacent-dimer with 0.1 % probability. Thus, ½ monolayer of OH sites on the Si (001) surface are irregularly distributed when water molecules are adsorbed and dissociated at room temperature.

scholarly journals On the Catalytic Effect of Water in the Intramolecular Diels–Alder Reaction of Quinone Systems: A Theoretical Study

Molecules ◽  
2012 ◽  
Vol 17 (11) ◽  
pp. 13687-13703 ◽  
Author(s):  
Jorge Soto-Delgado ◽  
Arie Aizman ◽  
Renato Contreras ◽  
Luis Domingo
Keyword(s):  
Catalytic Effect ◽  
Theoretical Study ◽  
Alder Reaction ◽  
Diels Alder ◽  
Effect Of Water ◽  
Diels Alder Reaction
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