Kinetic and molecular properties

Dawson Funkhouser, J. Abraham, A. Smith, V.A. Smith W.G. Kinetic and molecular properties of lysine-sensitive aspartokinase. Factors influencing the lysine-mediated association reaction and their relationship to the cooperativity of lysine inhibition. J. Biol. Chem., 249, 5478-5484 (1974)... 

Ruff M, Paulik C (2012) Controlling polyolefin properties by in-reactor blending, 1-poly-merization process, precise kinetics, and molecular properties of UHMW-PE polymers. Macromol React Eng 6 302-317... 

Frieden, C., Gilbert, H.R., and Bock, P. E., 1976, Phosphofructokinase. III. Correlation of the regulatory, kinetic and molecular properties of the rabbit muscle enzymes, /. Biol. Chem. 251 5644. 

The gas motion near a disk spinning in an unconfined space in the absence of buoyancy, can be described in terms of a similar solution. Of course, the disk in a real reactor is confined, and since the disk is heated buoyancy can play a large role. However, it is possible to operate the reactor in ways that minimize the effects of buoyancy and confinement. In these regimes the species and temperature gradients normal to the surface are the same everywhere on the disk. From a physical point of view, this property leads to uniform deposition - an important objective in CVD reactors. From a mathematical point of view, this property leads to the similarity transformation that reduces a complex three-dimensional swirling flow to a relatively simple two-point boundary value problem. Once in boundary-value problem form, the computational models can readily incorporate complex chemical kinetics and molecular transport models. 

Phosphoenolpyruvate carboxykinase (PEPCK) deficiency is distinctly rare and even more devastating clinically than deficiencies of glucose-6-phosphatase or fructose-1,6-bisphosphatase. PEPCK activity is almost equally distributed between a cytosolic form and a mitochondrial form. These two forms have similar molecular weights but differ by their kinetic and immunochemical properties. The cytosolic activity is responsive to fasting and various hormonal stimuli. Hypoglycemia is severe and intractable in the absence of PEPCK [12]. A young child with cytosolic PEPCK deficiency had severe cerebral atrophy, optic atrophy and fatty infiltration of liver and kidney. 

CRC Handbook of Chemistry and Physics Data on chemical properties, especially thermochemistry, kinetics, and molecular structure CRC Press (Lide)... 

Molecular Dynamics Methods. In contrast to the MC method, both kinetic and structural properties of a molecular system can be evaluated from MD studies. These properties are evaluated as averages over configurations generated during time. In microcanonical ensemble studies with the MD method, the properties which are controlled... 

A correlation analysis is a powerful tool used widely in various fields of theoretical and experimental chemistry. Generally, such an analysis, based on a statistically representative mass of data, can lead to reliable relationships that allow us to predict or to estimate important characteristics of still unknown molecular systems or systems unstable for direct experimental measurements. First, this statement concerns structural, thermodynamic, kinetic, and spectroscopic properties. For example, despite the very complex nature of chemical screening in NMR, particularly for heavy nuclei, various incremental schemes accurately predict their chemical shifts, thus providing a structural analysis of new molecular systems. Relationships for the prediction of physical or chemical properties of compounds or even their physiological activity are also well known. 

Computational quantum chemistry has emerged in recent years as a viable tool for the elucidation of molecular structure and molecular properties, especially for the prediction of geometrical parameters, kinetics and thermodynamics of highly labile compounds such as nitrosomethanides. However, they are difficult objects for both experimental (high toxicity, redox lability, high reactivity, explosive character etc.) and computational studies, even with today s sophisticated techniques (e.g. NO compounds are often species with open-shell biradical character which requires the application of multi-configuration methods). 

Since around the mid-1990s, there has been a proliferation of hydrate time-dependent studies. These include macroscopic, mesoscopic, and molecular-level measurements and modeling efforts. A proliferation of kinetic measurements marks the maturing of hydrates as a field of research. Typically, research efforts begin with the consideration of time-independent thermodynamic equilibrium properties due to relative ease of measurement. As an area matures and phase equilibrium thermodynamics becomes better defined, research generally turns to time-dependent measurements such as kinetics and transport properties. 

The results obtained by IR and UV spectroscopy were in good agreement and have been included in the theoretical analysis.251 The spectroscopic and molecular properties of F, NO, and FNO are well known. The kinetic analysis of the reaction system was based on the construction of the theoretical fall-off curve. The best fit of the fall-off curve to experiments at 298 K was reached by... 

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