Understanding the sensing mechanisms of perovskite materials for gases with different properties, a perspective from the oxidation-reduction states of the central metal ions

2021 ◽  
Author(s):  
Bing Zhang ◽  
Yang Yang ◽  
Lei Tong ◽  
Xiaogang Wang ◽  
Bin Hu ◽  
...  
Keyword(s):  
Metal Ions ◽  
Gas Sensing ◽  
Structural Instability ◽  
Central Metal ◽  
Perovskite Materials ◽  
Oxidation Reduction

The structural instability and vague sensing mechanisms of perovskite materials when detecting gases with different properties are two main obstacles to the development of novel perovskite gas-sensing materials with high...

scholarly journals Steady state charge conduction through solution processed liquid crystalline lanthanide bisphthalocyanine films

2019 ◽  
Vol 23 (11n12) ◽  
pp. 1603-1615
Author(s):  
Chandana Pal ◽  
Isabelle Chambrier ◽  
Andrew N. Cammidge ◽  
A. K. Sharma ◽  
Asim K. Ray
Keyword(s):  
Metal Ions ◽  
Liquid Crystalline ◽  
Microscopy Study ◽  
Individual Characteristics ◽  
Central Metal ◽  
Force Microscopy ◽  
Atomic Force ◽  
Double Decker ◽  
Order Of Magnitude ◽  
Chain Lengths

In-plane electrical characteristics of non-peripherally octyl(C[Formula: see text]H[Formula: see text]- and hexyl(C[Formula: see text]H[Formula: see text]-substituted liquid crystalline (LC) double decker lanthanide bisphthalocyanine (LnPc[Formula: see text] complexes with central metal ions lutetium (Lu), and gadolinium (Gd) have been measured in thin film formulations on interdigitated gold (Au) electrodes for the applied voltage ([Formula: see text] range of [Formula: see text]. The conduction mechanism is found to be Ohmic within the bias of [Formula: see text] while the bulk limited Poole–Frenkel mechanism is responsible for the higher bias. The compounds show individual characteristics depending on the central metal ions, substituent chain lengths and their mesophases. Values of 67.55 [Formula: see text]cm[Formula: see text] and 42.31 [Formula: see text]cm[Formula: see text] have been obtained for room temperature in-plane Ohmic conductivity of as-deposited octyl lutetium (C[Formula: see text]LuPc[Formula: see text] and hexyl gadolinium (C[Formula: see text]GdPc[Formula: see text] films, respectively while C[Formula: see text]GdPc[Formula: see text] films exhibit nearly two orders of magnitude smaller conductivity. On annealing at 80[Formula: see text]C, Ohmic conductivities of C[Formula: see text]LuPc[Formula: see text] and C[Formula: see text]GdPc[Formula: see text] are found to have increased but the conductivity of C[Formula: see text]GdPc[Formula: see text] decreased by more than one order of magnitude to 1.5 [Formula: see text]cm[Formula: see text]. For physical interpretation of the charge transport behavior of these three molecules, their UV-vis optical absorption spectra in the solution and in as-deposited and annealed solid phases and atomic force microscopy study have been performed. It is believed that both orientation and positional reorganizations are responsible, depending upon the size of the central ion and side chain length.

scholarly journals Utilization and simulation of innovative new binuclear Co(ii), Ni(ii), Cu(ii), and Zn(ii) diimine Schiff base complexes in sterilization and coronavirus resistance (Covid-19)

2021 ◽  
Vol 19 (1) ◽  
pp. 772-784
Author(s):  
Moamen S. Refat ◽  
Ahmed Gaber ◽  
Walaa F. Alsanie ◽  
Mohamed I. Kobeasy ◽  
Rozan Zakaria ◽  
...  
Keyword(s):  
Schiff Base ◽  
Molecular Docking ◽  
Metal Ions ◽  
Free Ligand ◽  
Schiff Base Complexes ◽  
Hydroxyl Groups ◽  
Binuclear Complexes ◽  
Central Metal ◽  
H Nmr ◽  
Biological Studies

Abstract This article aimed at the synthesis and molecular docking assessment of new diimine Schiff base ligand, namely 2-((E)-(2-((Z)-2-(4-chlorophenyl)-2-hydroxyvinyl)hydrazono) methyl)-6-methoxyphenol (methoxy-diim), via the condensation of 1-(4-chloro-phenyl)-2-hydrazino-ethenol compound with 2-((E)-(2-((Z)-2-(4-chlorophenyl)-2-hydroxy vinyl) hydrazono)methyl)-6-methoxyphenol in acetic acid as well as the preparation of new binuclear complexes of Co(ii), Ni(ii), Cu(ii), and Zn(ii). The following synthesized complexes were prepared in a ratio of 2:1 (metal/ligand). The 1H-NMR, UV-Vis, and FTIR spectroscopic data; molar conductivity measurements; and microanalytical, XRD, TGA/DTG, and biological studies were carried out to determine the molecular structure of these complexes. According to the spectroscopic analysis, the two central metal ions were coordinated with the diamine ligand via the nitrogen of the hydrazine and oxygen of the hydroxyl groups for the first metal ions and via the nitrogen of the hydrazine and oxygen of the phenol group for the second metal ions. Molecular docking for the free ligand was carried out against the breast cancer 3hb5-oxidoreductase and the 4o1v-protein binding kidney cancer and COVID-19 protease, and good results were obtained.

MetLigDB: a web-based database for the identification of chemical groups to design metalloprotein inhibitors

2011 ◽  
Vol 44 (4) ◽  
pp. 878-881 ◽  
Author(s):  
Hwanho Choi ◽  
Hongsuk Kang ◽  
Hwangseo Park
Keyword(s):  
Drug Discovery ◽  
Metal Ions ◽  
Metal Ion ◽  
Central Metal ◽  
Amino Acid Residues ◽  
Web Based ◽  
Additional Information ◽  
Chemical Groups ◽  
Insight Into ◽  
Chelating Groups

MetLigDB (http://silver.sejong.ac.kr/MetLigDB) is a publicly accessible web-based database through which the interactions between a variety of chelating groups and various central metal ions in the active site of metalloproteins can be explored in detail. Additional information can also be retrieved, including protein and inhibitor names, the amino acid residues coordinated to the central metal ion, and the binding affinity of the inhibitor for the target metalloprotein. Although many metalloproteins have been considered promising targets for drug discovery, it is difficult to discover new inhibitors because of the difficulty in designing a suitable chelating moiety to impair the catalytic activity of the central metal ion. Because both common and specific chelating groups can be identified for varying metal ions and the associated coordination environments, MetLigDB is expected to give users insight into designing new inhibitors of metalloproteins for drug discovery.

The effect of the cobalt and manganese central metal ions on the nonlinear optical properties of tetra(4-propargyloxyphenoxy)phthalocyanines

2018 ◽  
Vol 42 (12) ◽  
pp. 9857-9864 ◽  
Author(s):  
D. Mwanza ◽  
M. Louzada ◽  
J. Britton ◽  
E. Sekhosana ◽  
S. Khene ◽  
...  
Keyword(s):  
Optical Properties ◽  
Metal Ions ◽  
Excited States ◽  
Nonlinear Optical ◽  
Nonlinear Optical Properties ◽  
Central Metal ◽  
Optical Limiters ◽  
Paramagnetic Complexes

The phthalocyanines were investigated as optical limiters. The paramagnetic complexes were not effective owing to quenching of the excited states.

scholarly journals Ring-fused porphyrins: extension of π-conjugation significantly affects the aromaticity and optical properties of the porphyrin π-systems and the Lewis acidity of the central metal ions

2015 ◽  
Vol 17 (22) ◽  
pp. 15001-15011 ◽  
Author(s):  
Yuta Saegusa ◽  
Tomoya Ishizuka ◽  
Keiyu Komamura ◽  
Soji Shimizu ◽  
Hiroaki Kotani ◽  
...  
Keyword(s):  
Optical Properties ◽  
Metal Ions ◽  
Lewis Acidity ◽  
Central Metal ◽  
Ring Fusion ◽  
Homo Lumo

The ring fusion with five-membered rings causes not only the narrowed HOMO–LUMO gaps but also the contribution of anti-aromatic resonance forms.

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