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The relationship between chemistry and physics from the perspective of Bohmian mechanics
(Springer, 2017-04)
Although during the last decades the philosophy of chemistry has greatly extended its thematic scope, the main difficulties appear in the attempt to link the chemical description of atoms and molecules and the description ...
Is the problem of molecular structure just the quantum measurement problem?
(Springer, 2021-05)
In arecent article entitled "Theproblem of molecular structure just is the measurement problem", AlexanderFranklin and Vanessa Seifert argue that insofar as the quantum measurementproblem is solved, the problems of molecular ...
The first step of the dioxygenation reaction carried out by tryptophan dioxygenase and indoleamine 2,3-dioxygenase as revealed by quantum mechanical/molecular mechanical studies
(Springer, 2010-08)
Tryptophan dioxygenase (TDO) and indoleamine 2,3-dioxygenase (IDO) are two heme-containing enzymes which catalyze the conversion of L-tryptophan to N-formylkynurenine (NFK). In mammals, TDO is mostly expressed in liver and ...
Why molecular structure cannot be strictly reduced to quantum mechanics
(Springer, 2019-04-01)
Perhaps the hottest topic in the philosophy of chemistry is that of the relationship between chemistry and physics. The problem finds one of its main manifestations in the debate about the nature of molecular structure, ...
Mechanical stability of zinc oxide nanowires under tensile loading: Is wurtzite stable at the nanoscale?
(Royal Society of Chemistry, 2015-04-21)
The mechanical response of zinc oxide nanowires under uniaxial tensile loading is investigated by molecular dynamics and supported by density functional calculations. Previous theoretical works predict a stress-induced ...
Molecular aspects of vitamin d anticancer activity
(Taylor & Francis, 2012-10)
Environment may influence the development and prevention of cancer. Calcitriol has been associated with calcium homeostasis regulation. Many epidemiological, biochemical, and genetic studies have shown non-classic effects ...
Molecular control to salt tolerance mechanisms of woody plants: Recent achievements and perspectives
(EDP Sciences, 2021-12)
Key message: Woody plants have salt-tolerant mechanisms similar to those developed by non-woody plants. Among others, compartmentalization of ions, production of compatible solutes, synthesis of specific proteins and ...
Molecular and Physicochemical Aspects of Local Anesthetics Acting on Nicotinic Acetylcholine Receptor-containing Membranes
(Bentham Science Publishers, 2002-04)
Local anesthetics inhibit the ion channel activity of nicotinic acetylcholine receptors in a noncompetitive fashion. This inhibitory action is ascribed to two possible inhibitory mechanisms: an open-channel-blocking mechanism ...
Spin effects in oxygen electrocatalysis: a discussion
(Elsevier Science, 2013-04)
The reduction of molecular oxygen in triplet and singlet spin states at metal electrodes is analyzed in the framework of quantum mechanical theory of charge transfer. Both outer- and inner-sphere mechanism is considered. ...
Role of metal contacts in the mechanical properties of molecular nanojunctions: Comparative ab initio study of Au/1,8-octanedithiol and Au/4,4-bipyridine
(American Physical Society, 2010-06)
A comparative study of the mechanical properties of Au/4, 4 ′ -bipyridine (4, 4′ BPD) and Au/1,8-octanedithiol (1,8 ODT) molecular nanojunctions is developed using different metal wires and small clusters to represent the ...