Showing papers on "Derivative (chemistry) published in 2022"
TL;DR: In this article, the authors show that fractional-order derivative models cannot reproduce the ampliticity of rubber-like materials, and that FD models cannot describe the dynamic behavior of rubber like materials.
Abstract: Fractional-order derivative (FD) models are widely used to describe the dynamic behavior of rubber-like materials. However, experiments have shown that FD models cannot reproduce the amplit...
8 citations
3 citations
TL;DR: In this article, the authors studied the rules of calculating information entropy of molecular ensembles based on the corresponding values of constituting molecules and found that the complexity of the ensemble has the contributions from the molecular structure and the size of the molecules.
Abstract: Structural descriptors take the central place in the digitalization of chemical reactions. Information entropy is one of such descriptors that has been a seminal for numerous derivative indices. Previously, we have studied the rules of calculating information entropies of molecular ensembles based on the corresponding values of constituting molecules and found that the complexity of the ensemble has the contributions from the molecular structure and the size of the molecules. Considering chemical reaction as the conversion of one molecular ensemble to another allows calculating the change in information entropy as well as its components associated with molecular-structure and molecular-size changes. We demonstrate that both total information entropy change and its contributions are characteristic for the selected classes of chemical reactions and exemplify this approach with the cycloaddition and exchange reactions widespread in organic chemistry.
2 citations
01 Jan 2022
2 citations
TL;DR: In this article, the authors reported the synthesis of new 1,3,4-oxadiazole derivative 4-[5-(2-picolylsulfanyl)-1, 3, 4-oxADiazole-2-yl]-pyridine (pop) which was carried out in a cyclization reaction containing potassium N'-pyridine-4-carbonyl)-hydrazinecarbodithioate in the presence of 2picolyl chloride in a triclinic system having space group P-1.
1 citations
TL;DR: A chlorophyll derivative inserting an ethynylene group between the carboxy moiety and chlorin π-skeleton was prepared via copper-mediated propargylic alcohol synthesis and phased oxidation reactions from a 3-ethynyl-Chl-a derivative as discussed by the authors.
Abstract: A chlorophyll (Chl) derivative inserting an ethynylene group between the carboxy moiety and chlorin π-skeleton was prepared via copper-mediated propargylic alcohol synthesis and phased oxidation reactions from a 3-ethynyl-Chl-a derivative. The optical and electrochemical properties were investigated by the measurement of ultraviolet–visible absorption spectra and cyclic voltammograms. Its photosensitizing efficiency in dye-sensitized solar cell was evaluated on a titanium oxide semiconductor, and the effect of the inserting linker was described based on the experimental and theoretical studies.
1 citations