scholarly journals Correlation Between the Thermodynamic Functions of Molecular Inclusion of Monohydric Alcohols into Cyclodextrin and Their Molecular Surface Areas

2002 ◽  
Vol 8 (1) ◽  
pp. 1-6 ◽  
Author(s):  
Masao FUJISAWA ◽  
Takayoshi KIMURA
Keyword(s):  
Thermodynamic Functions ◽  
Molecular Surface ◽  
Surface Areas ◽  
Monohydric Alcohols ◽  
Molecular Inclusion

scholarly journals REJECTION THRESHOLDS OF THE BLOWFLY FOR A SERIES OF ALIPHATIC ALCOHOLS

1947 ◽  
Vol 30 (3) ◽  
pp. 247-253 ◽  
Author(s):  
V. G. Dethier ◽  
L. E. Chadwick
Keyword(s):  
Molecular Diffusion ◽  
Chemical Interaction ◽  
Physiological Activity ◽  
Distribution Coefficients ◽  
Aliphatic Alcohols ◽  
Molecular Surface ◽  
Phormia Regina ◽  
Vapor Pressures ◽  
Surface Areas ◽  
Oil Distribution

Series of concentrations of 15 aliphatic alcohols were presented in 0.1 M sucrose to the tarsi of antennectomized-labellectomized blowflies (Phormia regina Meigen). With the pri-n-alcohols the mean concentrations at rejection formed a Traube series. When the rejection thresholds for all the alcohols tested were compared with their boiling points, vapor pressures, molecular surface areas) molecular moments, water-cottonseed oil distribution coefficients, standard free energies, and activity coefficients, a very high degree of correlation was found in each case. It is concluded that the limiting process which was measured is concerned with the receptor cells rather than with some other element in the complex response. Stimulative power was evidently not dependent on osmotic pressure nor on rate of molecular diffusion in solution, and the correlation with vapor pressure was inverse. It is judged that surface energy relationships are concerned in stimulation, but the exact mechanism cannot be defined until more is known about the structure of the sensory surface and about the process of excitation. The physiological activity of the alcohols is related more closely to the ease with which they gain access to the cell than to their chemical interaction with cellular constituents.

ChemInform Abstract: Dynamic Molecular Surface Areas.

ChemInform ◽  
1990 ◽  
Vol 21 (3) ◽  
Author(s):  
K. B. LIPKOWITZ ◽  
B. BAKER ◽  
R. LARTER
Keyword(s):  
Molecular Surface ◽  
Surface Areas

Thermodynamically effective molecular surfaces for more efficient study of condensed-phase thermodynamics

2021 ◽  
Author(s):  
Amin Alibakhshi ◽  
bernd hartke
Keyword(s):  
Condensed Phase ◽  
Ad Hoc ◽  
Molecular Surface ◽  
Molecular Surfaces ◽  
Surface Areas ◽  
Wide Range ◽  
Different Types ◽  
Accessible Surface ◽  
Solvent Accessible Surface ◽  
Scientific Fields

Abstract Evaluation of molecular surfaces plays the key role in a wide range of cutting-edge scientific fields and technologies, due to the well-characterized dependency between molecular surfaces and condensed phase thermodynamics. Numerous methods to evaluate molecular surfaces such as van-der-Waals and solvent accessible surface areas and various parameterizations for each one, have been proposed in the literature and typically yield quite diverse estimations of molecular surfaces. Despite this diversity, numerous successful applications have been reported for each one, which has become possible via ad-hoc modifications and parametrizations employed to accommodate inappropriately defined molecular surfaces. The main aim of the present study is to propose “thermodynamically effective” molecular surface which unlike the conventionally accepted molecular surfaces, can be defined only uniquely, can be measured experimentally for each molecule directly and straightforwardly, is defined based on a well-characterized theoretically described dependency between molecular surfaces and solution thermodynamics, and is highly accurate in evaluating various thermodynamics quantities in solution for a wide temperature range and different types of molecules, without requiring any ad-hoc modification.

The Correlation of Physical Properties of Organic Molecules with Computed Molecular Surface Areas

1999 ◽  
Vol 76 (5) ◽  
pp. 688 ◽  
Author(s):  
Robert C. Mebane ◽  
Shannon A. Schanley ◽  
Thomas R. Rybolt ◽  
Chrystal D. Bruce
Keyword(s):  
Physical Properties ◽  
Organic Molecules ◽  
Molecular Surface ◽  
Surface Areas
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