Visualization and Analysis of Complex Reaction Data: The Case of Tautomeric Equilibria

2018 ◽  
Vol 37 (9-10) ◽  
pp. 1800056 ◽  
Author(s):  
Marta Glavatskikh ◽  
Timur Madzhidov ◽  
Igor I. Baskin ◽  
Dragos Horvath ◽  
Ramil Nugmanov ◽  
...  
Keyword(s):  
Complex Reaction ◽  
Tautomeric Equilibria ◽  
Reaction Data

Dipole moments and tautomeric equilibria of some aroylacetanilides

1981 ◽  
Vol 78 ◽  
pp. 155-159 ◽  
Author(s):  
Magdi M. Naoum ◽  
Hakim G. Shinouda ◽  
Ahmed S. Shawali ◽  
Hanna A. Rizk
Keyword(s):  
Dipole Moments ◽  
Tautomeric Equilibria

Oxidation of polysubstituted pyridinium salts

1982 ◽  
Vol 47 (5) ◽  
pp. 1494-1502 ◽  
Author(s):  
Petr Nesvadba ◽  
Josef Kuthan
Keyword(s):  
Alkaline Medium ◽  
Electrophilic Substitution ◽  
Pyridine Ring ◽  
Potassium Ferricyanide ◽  
Pyridinium Salts ◽  
Complex Reaction

Oxidation of 1-substituted 2,4,6-triphenylpyridinium salts Ia-Ij with potassium ferricyanide in an alkaline medium was accompanied by contraction of the pyridine ring and formation of 1,2,3,5-tetrasubstituted pyrroles II. The derivative IIf underwent facile electrophilic substitution in the position 4. Contrary to compounds Ia-Ij, the 1-substituted-2,6-diphenylpyridinium salts IIIa,b were oxidized to give a complex reaction mixture containing 4-pyridones IVa,b.

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 Non-normality and non-monotonic dynamics in complex reaction networks

2020 ◽  
Vol 2 (4) ◽  
Author(s):  
Zachary G. Nicolaou ◽  
Takashi Nishikawa ◽  
Schuyler B. Nicholson ◽  
Jason R. Green ◽  
Adilson E. Motter
Keyword(s):  
Reaction Networks ◽  
Complex Reaction

Automated generation of photochemical reaction data by transient flow experiments coupled with online HPLC analysis

2020 ◽  
Vol 5 (5) ◽  
pp. 912-920
Author(s):  
Christian P. Haas ◽  
Simon Biesenroth ◽  
Stephan Buckenmaier ◽  
Tom van de Goor ◽  
Ulrich Tallarek
Keyword(s):  
Continuous Flow ◽  
Photochemical Reaction ◽  
Hplc Analysis ◽  
Transient Flow ◽  
Data Sets ◽  
Automated Generation ◽  
Reaction Data ◽  
Flow Experiments

Competing homo- and crossdimerization reactions between coumarin and 1-methyl-2-quinolinone are investigated by transient continuous-flow experiments combined with online HPLC, enabling the generation and acquisition of large reaction data sets.

On the reaction of GeCl2·dioxane with KFeCp(CO)2: isolation and characterization of novel bimetallic clusters

2019 ◽  
Vol 48 (12) ◽  
pp. 3831-3834 ◽  
Author(s):  
Lars Preißing ◽  
Claudio Schrenk ◽  
Andreas Schnepf
Keyword(s):  
Cluster Compounds ◽  
Bimetallic Clusters ◽  
Complex Reaction ◽  
Reaction Route ◽  
Isolation And Characterization

The reaction of GeCl2·dioxane with KFeCp(CO)2 leads to polyhedral cluster compounds with six germanium atoms like Ge6[FeCp(CO)2]6 or Ge6Cl2[FeCp(CO)2]6via a complex reaction route.

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