Computational analysis on transition time-period in complex reaction mechanism

2021 ◽  
Author(s):  
Mehboob Ali ◽  
Muhammad Shahzad ◽  
Faisal Sultan ◽  
Soma Mustafa ◽  
Sheikh Rashid
Keyword(s):  
Reaction Mechanism ◽  
Computational Analysis ◽  
Transition Time ◽  
Complex Reaction ◽  
Time Period

Determination of Complex Reaction Mechanisms

2006 ◽  
Author(s):  
John Ross ◽  
Igor Schreiber ◽  
Marcel O. Vlad
Keyword(s):  
Reaction Mechanism ◽  
Reaction Mechanisms ◽  
Reaction Pathway ◽  
Chemical Species ◽  
Rate Coefficients ◽  
Chemical System ◽  
Evolutionary Development ◽  
Complex Reaction ◽  
Oscillatory Reactions

In a chemical system with many chemical species several questions can be asked: what species react with other species: in what temporal order: and with what results? These questions have been asked for over one hundred years about simple and complex chemical systems, and the answers constitute the macroscopic reaction mechanism. In Determination of Complex Reaction Mechanisms authors John Ross, Igor Schreiber, and Marcel Vlad present several systematic approaches for obtaining information on the causal connectivity of chemical species, on correlations of chemical species, on the reaction pathway, and on the reaction mechanism. Basic pulse theory is demonstrated and tested in an experiment on glycolysis. In a second approach, measurements on time series of concentrations are used to construct correlation functions and a theory is developed which shows that from these functions information may be inferred on the reaction pathway, the reaction mechanism, and the centers of control in that mechanism. A third approach is based on application of genetic algorithm methods to the study of the evolutionary development of a reaction mechanism, to the attainment given goals in a mechanism, and to the determination of a reaction mechanism and rate coefficients by comparison with experiment. Responses of non-linear systems to pulses or other perturbations are analyzed, and mechanisms of oscillatory reactions are presented in detail. The concluding chapters give an introduction to bioinformatics and statistical methods for determining reaction mechanisms.

scholarly journals Unveiling the Rate-Limiting Step of the Bc1 Complex Reaction Mechanism

2019 ◽  
Vol 116 (3) ◽  
pp. 419a
Author(s):  
Angela M. Barragan ◽  
Alexander V. Soudackov ◽  
Zaida Luthey-Schulten ◽  
Klaus Schulten ◽  
Sharon Hammes-Schiffer ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Complex Reaction ◽  
Bc1 Complex ◽  
Rate Limiting Step ◽  
Limiting Step ◽  
Rate Limiting

Optimal control of a plug flow reactor with a complex reaction mechanism

1993 ◽  
Vol 97 (45) ◽  
pp. 11689-11695 ◽  
Author(s):  
Atipat Rojnuckarin ◽  
Christodoulos A. Floudas ◽  
Herschel Rabitz ◽  
Richard A. Yetter
Keyword(s):  
Optimal Control ◽  
Reaction Mechanism ◽  
Flow Reactor ◽  
Plug Flow ◽  
Plug Flow Reactor ◽  
Complex Reaction

scholarly journals Hydrolysis of Guanosine Triphosphate (GTP) by the Ras·GAP Protein Complex: Reaction Mechanism and Kinetic Scheme

2015 ◽  
Vol 119 (40) ◽  
pp. 12838-12845 ◽  
Author(s):  
Maria G. Khrenova ◽  
Bella L. Grigorenko ◽  
Anatoly B. Kolomeisky ◽  
Alexander V. Nemukhin
Keyword(s):  
Reaction Mechanism ◽  
Protein Complex ◽  
Kinetic Scheme ◽  
Complex Reaction ◽  
Guanosine Triphosphate ◽  
Hydrolysis Of

scholarly journals A Plasmonic Approach to Study Protein Interaction Kinetics through the Dimerization of Functionalized Ag Nanoparticles

2019 ◽  
Vol 9 (1) ◽  
Author(s):  
Pablo A. Mercadal ◽  
Ruben D. Motrich ◽  
Eduardo A. Coronado
Keyword(s):  
Reaction Mechanism ◽  
Protein Interactions ◽  
Pair Interaction ◽  
Industrial Applications ◽  
Complex Reaction ◽  
Ag Nps ◽  
Vis Spectroscopy ◽  
Interaction Kinetics ◽  
Kinetics Of ◽  
Detection And Quantification

Abstract Understanding the kinetics of protein interactions plays a key role in biology with significant implications for the design of analytical methods for disease monitoring and diagnosis in medical care, research and industrial applications. Herein, we introduce a novel plasmonic approach to study the binding kinetics of protein-ligand interactions following the formation of silver nanoparticles (Ag NPs) dimers by UV-Vis spectroscopy that can be used as probes for antigen detection and quantification. To illustrate and test the method, the kinetics of the prototype biotin-streptavidin (Biot-STV) pair interaction was studied. Controlled aggregates (dimers) of STV functionalized Ag NPs were produced by adding stoichiometric quantities of gliadin-specific biotinylated antibodies (IgG-Biot). The dimerization kinetics was studied in a systematic way as a function of Ag NPs size and at different concentrations of IgG-Biot. The kinetics data have shown to be consistent with a complex reaction mechanism in which only the Ag NPs attached to the IgG-Biot located in a specific STV site are able to form dimers. These results help in elucidating a complex reaction mechanism involved in the dimerization kinetics of functionalized Ag NPs, which can serve as probes in surface plasmon resonance-based bioassays for the detection and quantification of different biomarkers or analytes of interest.

Balancing the chemical equations and their steady-state approximations in the complex reaction mechanism: linear algebra techniques

2020 ◽  
Vol 10 (12) ◽  
pp. 5247-5252 ◽  
Author(s):  
Faisal Sultan ◽  
Muhammad Shahzad ◽  
Mehboob Ali ◽  
Wajiha Adnan ◽  
Waqar Azeem Khan
Keyword(s):  
Steady State ◽  
Reaction Mechanism ◽  
Linear Algebra ◽  
Complex Reaction ◽  
Chemical Equations

Protein denaturation kinetic processes of a simple and a complex reaction mechanism analyzed by an iso-conversional method

2014 ◽  
Vol 117 (3) ◽  
pp. 1489-1495 ◽  
Author(s):  
Xiaomin Cao ◽  
Yun Tian ◽  
Zhiyong Wang ◽  
Yunwen Liu ◽  
Cunxin Wang
Keyword(s):  
Reaction Mechanism ◽  
Protein Denaturation ◽  
Complex Reaction ◽  
Kinetic Processes
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