Solitons and Proton Motion in Molecular Systems with Hydrogen Bonds

1985 ◽  
pp. 227-241 ◽  
Author(s):  
A. S. Davydov
Keyword(s):  
Hydrogen Bonds ◽  
Molecular Systems

Multidimensional Numbers and the Genomatrices of Hydrogen Bonds

2010 ◽  
pp. 193-206
Author(s):  
Sergey Petoukhov ◽  
Matthew He
Keyword(s):  
Hydrogen Bonds ◽  
Genetic Code ◽  
Structural Features ◽  
Hyperbolic Type ◽  
Complex Numbers ◽  
Hypercomplex Numbers ◽  
Molecular Systems ◽  
Natural Systems ◽  
Double Numbers ◽  
Mathematical Properties

This chapter returns to the kind of numeric genetic matrices, which were considered in Chapter 4-6. This kind of genomatrices is not connected with the degeneracy of the genetic code directly, but it is related to some other structural features of the genetic code systems. The connection of the Kronecker families of such genomatrices with special categories of hypercomplex numbers and with their algebras is demonstrated. Hypercomplex numbers of these two categories are named “matrions of a hyperbolic type” and “matrions of a circular type.” These hypercomplex numbers are a generalization of complex numbers and double numbers. Mathematical properties of these additional categories of algebras are presented. A possible meaning and possible applications of these hypercomplex numbers are discussed. The investigation of these hyperbolic numbers in their connection with the parameters of molecular systems of the genetic code can be considered as a continuation of the Pythagorean approach to understanding natural systems.

THERMODYNAMICS OF THE MOLECULAR COMPLEXES WITH CHAINS OF HYDROGEN BONDS

1992 ◽  
Vol 06 (02) ◽  
pp. 85-91 ◽  
Author(s):  
I.V. STASYUK ◽  
A.L. IVANKIV
Keyword(s):  
Hydrogen Bonds ◽  
Molecular Complexes ◽  
High Energy ◽  
Spin Model ◽  
Strong Correlations ◽  
Reduced Basis ◽  
Molecular Systems ◽  
Ionic Groups ◽  
Energy Proton ◽  
Initial Basis

A pseudo-spin reduced basis model for the description of the linear hydrogen-bonds molecular systems with strong correlations between protons on the neighbouring bonds is proposed. The proton states corresponding to the high-energy proton configurations near the heavy ionic groups are excluded from the initial basis. Some aspects of thermodynamics and energy spectrum for the proton subsystem of the molecular complexes are considered in the framework of reduced basis model. It is shown that for the complexes with large but finite number of hydrogen bonds N, the polarizability is proportional to N2, the specific heat is proportional to N−1 and the spectrum includes both zone and localized proton states. At the same time it is shown that correct thermodynamic limit is obtained as N→∞ on the base of pseudo-spin model with initial basis. As a result the limits of application of reduced basis model are determined.

TERAHERTZ SIGNAL TRANSMISSION IN MOLECULAR SYSTEMS

2006 ◽  
Vol 16 (02) ◽  
pp. 669-675 ◽  
Author(s):  
LIUMING YAN ◽  
YUEFEI MA ◽  
JORGE M. SEMINARIO
Keyword(s):  
Molecular Dynamics ◽  
Signal Processing ◽  
Hydrogen Bonds ◽  
Digital Signal Processing ◽  
Signal Transmission ◽  
Digital Signal ◽  
Molecular Systems ◽  
Processing Techniques ◽  
Signal Processing Techniques ◽  
Terahertz Signal

Terahertz signal transmission in DNA is simulated and analyzed using molecular dynamics and digital signal processing techniques to demonstrate that signals encoded in vibrational movements of hydrogen bonds can travel along the backbone of DNA and eventually be recovered and analyzed using digital signal processing techniques.

scholarly journals Orientational-tunneling model of one–dimensional molecular systems with hydrogen bonds

1997 ◽  
Vol 1 (3) ◽  
pp. 418-430 ◽  
Author(s):  
I. V. Stasyuk ◽  
O. L. Ivankiv ◽  
N. I. Pavlenko
Keyword(s):  
Hydrogen Bonds ◽  
Tunneling Model ◽  
One Dimensional ◽  
Molecular Systems

Covalent-assisted supramolecular synthesis: the effect of hydrogen bonding in cocrystals of 4-tert-butylbenzoic acid with isoniazid and its derivatized forms

2019 ◽  
Vol 75 (2) ◽  
pp. 200-207
Author(s):  
Lee G. Madeley ◽  
Demetrius C. Levendis ◽  
Andreas Lemmerer
Keyword(s):  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Pyridine Ring ◽  
One Pot ◽  
Molecular Systems

A series of cocrystals of isoniazid and four of its derivatives have been produced with the cocrystal former 4-tert-butylbenzoic acid via a one-pot covalent and supramolecular synthesis, namely 4-tert-butylbenzoic acid–isoniazid, C6H7N3O·C11H14O2, 4-tert-butylbenzoic acid–N′-(propan-2-ylidene)isonicotinohydrazide, C9H11N3O·C11H14O2, 4-tert-butylbenzoic acid–N′-(butan-2-ylidene)isonicotinohydrazide, C10H13N3O·C11H14O2, 4-tert-butylbenzoic acid–N′-(diphenylmethylidene)isonicotinohydrazide, C19H15N3O·C11H14O2, and 4-tert-butylbenzoic acid–N′-(4-hydroxy-4-methylpentan-2-ylidene)isonicotinohydrazide, C12H17N3O2·C11H14O2. The co-former falls under the classification of a `generally regarded as safe' compound. The four derivatizing ketones used are propan-2-one, butan-2-one, benzophenone and 3-hydroxy-3-methylbutan-2-one. Hydrogen bonds involving the carboxylic acid occur consistently with the pyridine ring N atom of the isoniazid and all of its derivatives. The remaining hydrogen-bonding sites on the isoniazid backbone vary based on the steric influences of the derivative group. These are contrasted in each of the molecular systems.

NMR Spectroscopic Parameters of Molecular Systems with Strong Hydrogen Bonds

2010 ◽  
Vol 114 (26) ◽  
pp. 7162-7172 ◽  
Author(s):  
Natalia Zarycz ◽  
Gustavo A. Aucar ◽  
Carlos O. Della Védova
Keyword(s):  
Hydrogen Bonds ◽  
Spectroscopic Parameters ◽  
Molecular Systems

Non-covalent interactions in molecular systems: thermodynamic evaluation of the hydrogen bond strength in aminoalcohols

2021 ◽  
Author(s):  
Riko Siewert ◽  
Ralf Ludwig ◽  
Sergey P. Verevkin
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Bond Strength ◽  
Functional Groups ◽  
Thermodynamic Evaluation ◽  
Molecular Systems ◽  
Hydrogen Bond Strength ◽  
Non Covalent Interactions ◽  
Intramolecular Hydrogen ◽  
Covalent Interactions

In molecules with two functional groups that form hydrogen bonds, the strength of intramolecular hydrogen bonds does not depend significantly on the structure.

A new classical method for dynamical calculation in molecular systems

1997 ◽  
Vol 90 (4) ◽  
pp. 599-609 ◽  
Author(s):  
NAĐA DOSLIC ◽  
S.DANKO BOSANAC
Keyword(s):  
Classical Method ◽  
Molecular Systems ◽  
Dynamical Calculation
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