Identification of the Core Chemical Structure in SureChEMBL Patents

Author(s):  
Maria J. Falaguera ◽  
Jordi Mestres
Keyword(s):  
Polymers ◽  
2020 ◽  
Vol 12 (3) ◽  
pp. 652
Author(s):  
Chunmei Gao ◽  
Jiale Chen ◽  
Boping Zhang ◽  
Lei Wang

Hydrolytic stability and oxidative stability are the core properties of sulfonated polynaphthylimides (SPIs) as proton exchange membranes. The chemical structure of SPIs directly influences the performance. Herein, three different series of branched SPIs were designed and prepared using 1,3,5-tris (2-trifluoromethyl-4-aminophenoxy) benzene as a trifunctional monomer and three non-sulfonated diamine monomers, such as 4,4′-oxydianiline (ODA), 2,2-bis[4-(4-aminophenoxy)phenyl]hexafluoropropane (6FODA), and 4,4′-(9-fluorenylidene)dianiline (BFDA). The effect of the chemical structure and degree of branching on SPIs properties is discussed. The results showed that by controlling the chemical structure and degree of branching, the chemical stability of SPIs changed significantly. SPI-6FODA with two ether linkages and a hydrophobic CF3 group has higher hydrolytic stability than SPI-ODA with only one ether linkage. In addition, with the increase of the introduced B3 monomer, the oxidation stability of SPI-6FODA has been greatly improved. We successfully synthesized SPIs with a high hydrolytic stability and oxidative stability.


2011 ◽  
Vol 233-235 ◽  
pp. 2125-2128
Author(s):  
Li Li Xu ◽  
Sheng Peng Liu ◽  
Xuan Li

In this paper, vinylated magnesium hydroxide (MH) nanosheets were prepared with 3-(trimethoxysilyl) propyl methacrylate (γ-MPS) and pristine MH nanosheets, then the MH/polymer hybrid nanoparticles were prepared by in-situ emulsion copolymerization of vinylated MH nanosheets and styrene (St) monomer and styrene/butyl acrylate (St/BA) comonomer. The morphology, thermal stability and chemical structure of the final products were investigated in detail with transmission electron microscopy (TEM), thermogravimetric analysis (TGA) and Fourier-transform infrared spectra (FTIR). The TEM results showed that the core-shell structure of MH/Polymer nanoparticles with MH-cores and Polymer-shell was formed.


2019 ◽  
Vol 821 ◽  
pp. 313-320
Author(s):  
Yan Xuan Ma ◽  
Ying Rui Zhang ◽  
Jia Tong Liu ◽  
Meng Yao Li ◽  
Ya Qian Xu

The effectiveness of preploymer and 1,6-Hexamethylene diamine encapsulated by double-walled microcapsules based polyurea (PUA) was explored for healing the cracks generated in epoxy coatings. Double-walled microcapsules were systhesized by interfacial polymerization at the interface between the prepolymer droplets and the 1,6-Hexamethylene diamine droplets to form the polyurea shell. The effect of synthetic stirring speed on the morphology of the microcapsules was observed by scanning electronmicroscopy (SEM) and optical microscopy (OM). The chemical structure as well as the thermal properties and the core content were characterized by Fourier transform infrared spectroscopy (FTIR) and Thermogravimetric analyzer (TGA) respectively. Electrochemical impedance spectroscopy (EIS) studies of the artificial scratched area showed that the coating containing 2wt% and 5wt% microcapsules could effectively prevent further corrosion of the coating with high corrosion resistance efficiencies of 61.61% and 45.99% after immersing for 144h in seawater.


1994 ◽  
Vol 224 (2) ◽  
pp. 751-760 ◽  
Author(s):  
Sven Muller-Loennies ◽  
Otto Holst ◽  
Helmut Brade

2018 ◽  
pp. 98-101
Author(s):  
A. A. Safonov

Typically, the system is already known are used as the core for a new substance, which have already proved themselves as potential drugs. So one of these is 1,2,4-triazole ring. The purpose was to study acute toxicity of 4-((R-iden)amino)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiols and identify possible patterns acute toxicity of the chemical structure of indicators derivatives. In the study of acute contact toxicity was used spreadsheet rapid method for Prozorovsky V. B. Analysis of the results of studies acute toxicity of 1,2,4-triazole derivatives showed that all substances are relate to the 4th class of toxicity according to K. K. Sidorov. Their toxicity is in the range 357 ± 28–1 250 ± 220 mg/kg. Introduction in a molecule 4-amino-5-(thiophene-2-ylmethyl)-4H-1,2,4-triazole-3-thiol nitrobenzylidene, dimethylaminobenzylidene, 2-chloro-6-fluorobenzylidene substituent leads to a reduction of acute toxicity to the 566–576 mg/kg. Replacement of 2-chloro-6-fluorobenzylidene radical in a molecule 4-((2-chloro-6-fluorobenzylidene)amino)-5-(thiophene-2-ylmethyl)-4H-1,2,4-triazole-3-thiol at 4-fluorobenzylidene, 3,4-difluorobenzylidene, 4-methoxybenzylidene, 3,5-dimethoxybenzylidene leads to further reduce toxicity. Introduction methyl radical in a molecule 4-(benzylidene)amino)-5-(thiophene-2-ylmethyl)-4H-1,2,4-triazole-3-thiol and 4-((4-fluorobenzylidene)amino)-5-(thiophene-2-ylmethyl)-4H-1,2,4-triazole-3-thiol resulting to increased toxicity. It was established that the most toxic substance among the test compounds is 4-amino-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol. Its LD50 is 357 ± 28 mg/kg and the least toxic compound 4-((3,4-difluorbenzylidene)amino)-5-(thiophen-2-ilmethyl)-4H-1,2,4-triazole-3-thiol, LD50 1 250 ± 220 mg/kg.


1984 ◽  
Vol 223 (3) ◽  
pp. 587-597 ◽  
Author(s):  
K G Vogel ◽  
M Paulsson ◽  
D Heinegård

The small dermatan sulphate proteoglycan of bovine tendon demonstrated a unique ability to inhibit fibrillogenesis of both type I and type II collagen from bovine tendon and cartilage respectively in an assay performed in vitro. None of the other proteoglycan populations from cartilage, tendon or aorta, even those similar in size and chemical structure, had this effect. Alkali treatment of the small proteoglycan of tendon eliminated its ability to inhibit fibrillogenesis, whereas chondroitinase digestion did not. This indicates that its interaction with collagen depends on the core protein. Fibrillogenesis of pepsin-digested collagens was affected similarly, indicating that interaction with the collagen telopeptides is not involved. The results suggest that interactions between collagen and proteoglycans may be quite specific both for the type of proteoglycan and its tissue of origin.


1973 ◽  
Vol 51 (10) ◽  
pp. 1554-1566 ◽  
Author(s):  
Morris Schnitzer ◽  
Maria Ines Ortiz de Serra

A humic acid (HA) extracted from the A1 horizon of a Brunizem soil was degraded in the unmethylated and methylated form by sequential reaction with oxidants of increasing strength. The HA was first oxidized with alkaline cupric oxide; the products were then further degraded by oxidation with first alkaline KMnO4 and then with H2O2 in alkaline solution. Unmethylated HA was also degraded by Na-amalgam reduction. The degradation products were extracted into organic solvents, methylated, and separated by preparative gas chromatography into relatively pure components which were analyzed by mass spectrometry and micro-i.r. spectrophotometry. A matching of the mass and i.r. spectra and gas chromatographic retention times of the isolated components with those of authentic specimens led to their identification.The experimental data show that the HA contains a relatively easily degradable portion, which comprises guaiacyl and syringyl units and which may be lignin-derived (about 10% of the total weight). This material is degraded by CuO–NaOH oxidation and Na-amalgam reduction. The bulk of the HA structure, however, consists of a more condensed, chemically complex "core", which degrades on more drastic oxidation into complex phenolic and benzenepolycarboxylic acids. It is likely that the "core" originates in part from condensed lignin and in part from products of microbial synthesis. Of the methods investigated, the CuO–NaOH and the KMnO4 oxidation of methylated HA appear most promising for providing information on the chemical structure of the HA.


1993 ◽  
Vol 213 (3) ◽  
pp. 1029-1037 ◽  
Author(s):  
Gerald O. ASPINALL ◽  
Armando G. McDONALD ◽  
T. Shantha RAJU ◽  
Henrianna PANG ◽  
Linda A. KURJANCZYK ◽  
...  

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