Month: August 2021

New Advances in Chemical Research in 2021. In heterogeneous catalysis, catalysts provide a surface to which reactants bind in a process of adsorption. The reactant in an enzyme-catalyzed reaction is called a substrate. 14814-09-6, Name is 3-Mercaptopropyltriethoxysilane, molecular formula is , belongs to benzoxazole compound. In a document, author is Yao, Zhenyu, Formula: https://www.ambeed.com/products/14814-09-6.html.

As balanced electron-rich P,C-chelating ligands, phosphine-phosphonium-ylides are considered for their ability to in situ promote palladium-catalysed direct C(sp(2))-H arylation. Using methyl phosphonium salts of 2,2′-bis(diphenylphosphino)-1,1′-binaphtyl (methyl-BINAPIUM) as ylide precursors under optimized reaction conditions, arylation of benzoxazole was found to proceed in moderate to high yield to give functional 2-aryl benzoxazoles. A strong anion effect of the non-salt free ylide was evidenced (TfO > I > PF6 approximate to salt-free). This first example of phosphonium ylides as ligands in catalytic C-H activation extends the prospect of their general implementation in homogeneous transition metal catalysis. (C) 2020 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

New Advances in Chemical Research in 2021. Catalysts are in the same phase as the reactants. Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 352-34-1, Name is 1-Fluoro-4-iodobenzene, molecular formula is , belongs to benzoxazole compound. In a document, author is Sun, Wei, Quality Control of 1-Fluoro-4-iodobenzene.

In this work, SiO2 microspheres were first prepared by a conventional Stober method and then etched by NaOH solution to obtain porous ones. By tuning the degree of etching, specific surface area of SiO2 microspheres could be controlled. Then, small fluorescent molecules are synthesized and incorporated onto the surface and/or pores of the SiO2 via layer-by-layer reaction to obtain fluorescent microspheres, namely, SiO2-NH2-BODIPY (SiNBB), SiO2-NH2-BODIPY-indole-benzothiazole (SiNBIT), and SiO2-NH2-BODIPY-indole-benzoxazole (SiNBIO). The as-prepared microspheres SiNBB exhibit highly sensitive and selective recognition ability for Hg2+ and Pb2+. When SiNBB encounters Hg2+ and Pb2+, the fluorescence intensity of SiNBB is increased up to fivefold. SiNBIT and SiNBIO are solely sensitive to Hg2+, and both have a single high sensitivity to recognize Hg2+. The adsorption efficiency of Hg2+ by the three fluorescent microspheres SiNBB, SiNBIT, and SiNBIO reached 2.91, 0.99, and 0.98 g/g of microspheres, respectively. Experimental results of A549 cells and zebrafish indicate that the fluorescent microspheres are permeable to cell membranes and organisms. The distribution of Hg2+ in the brain of zebrafish was obtained by the fluorescence confocal imaging technique, and Hg2+ was successfully detected in A549 cells and zebrafish.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

New Advances in Chemical Research in 2021. Catalysts are in the same phase as the reactants. Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 409071-16-5, Name is Lithium difluoro(oxalato)borate, molecular formula is , belongs to benzoxazole compound. In a document, author is Imaizumi, Takamichi, Formula: https://www.ambeed.com/products/409071-16-5.html.

A structural class of 2-aminobenzoxazole derivatives possessing biphenyltetrazole was discovered to be potent human ChemR23 inhibitors. We initially tried to improve the potency of compound 1, which was found through in-house screening using the human plasmacytoid dendritic cell (pDC)-like cell line CAL-1. The introduction of a chiral methyl moiety at a benzylic position in a center of compound 1 showed a large impact on the inhibitory activity against calcium signaling of ChemR23 induced by the natural ligand chemerin. As a result of further investigations at the benzylic position, (R)-isomer 6b was found to show a 30-fold increased potency over desmethyl compound 1. In addition, an extensive structure-activity relationship study on the benzoxazole moiety successfully led to a further increase in the potency. The antagonistic effect of the compounds was based on the induction of ChemR23 internalization. In addition, we observed that compound 31, which contained an amide moiety on benzoxazole, inhibited chemotaxis of CAL-1 cells induced by chemerin in vitro. These results suggest that our ChemR23 inhibitors are attractive compounds for the treatment of pDC-related autoimmune diseases, such as systemic lupus erythematosus and psoriasis.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

New Advances in Chemical Research in 2021.The dynamic chemical diversity of the numerous elements, ions and molecules that constitute the basis of life provides wide challenges and opportunities for research. 348-54-9, Name is 2-Fluoroaniline, molecular formula is , belongs to benzoxazole compound. In a document, author is Abdel-Gawad, Sherif A., Recommanded Product: 348-54-9.

Purpose: To design a simple and sensitive quantification procedure for pamidronate disodium (PAM) after its solid phase extraction from plasma. Methods: The procedure was based on derivatization of PAM using a suitable fluorogen, 4-chloro-7-nitro-2,1,3-benzoxazole. The product was determined spectrofluorometrically at excitation and emission wavelengths of 390 and 535 nm, respectively. The method was optimized for all factors that affect the reaction between PAM and the fluorogen. These factors include diluting solvent, pH of the reaction medium, volume of fluorogen solution, buffer pH, buffer volume, temperature and heating time. The method was fully validated according to US-FDA guidelines with respect to linearity, accuracy, precision, recovery, robustness and stability. Results: PAM was successfully extracted from human plasma with solid-phase extraction technique. A linear response was obtained in the concentration range of 10 – 100 ng/mL, with correlation coefficient of 0.998. Mean maximum plasma concentration of PAM was 9.73.2 +/- 3.2 mu mol/L, which was within the linear range of the proposed method, thereby confirming its sensitivity for the determination of plasma PAM. Conclusion: The proposed procedure is suitable for the quantification of PAM in human plasma after its solid phase extraction. The method is sensitive enough for use in PAM determination in pharmacokinetic studies. Moreover, it is likely a more cost-effective and simpler alternative method than high performance liquid chromatograph (HPLC) methods.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

New discoveries in chemical research and development in 2021. Redox catalysis has been broadly utilized in electrochemical synthesis due to its kinetic advantages over direct electrolysis. 6674-22-2, Name is 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine, molecular formula is C9H16N2. In an article, author is Nag, Aniruddha,once mentioned of 6674-22-2, Name: 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine.

High-performance bio-based plastics can make a major contribution to environmental sustainability. A series of high-performance poly(2,5-benzoxazole-co-2,5-benzimidazole)s (PBO-co-PBI) bio-based plastic films, were developed using the aromatic biomolecule 3-amino-4-hydroxybenzoic acid and the commercial product 3,4-diaminobenzoic acid. The partially bio-based PBO-co-PBI films exhibit higher thermal and mechanical performance than conventional bio-based polymers such as polyamide 11 or poly(lactic acid). The robust PBO-co-PBI films exhibit lower dielectric constants (e(r)) than conventional high-performance aromatic polymers, attaining the value comparable to those of polyethylene or polypropylene. (C) 2019 Elsevier Ltd. All rights reserved.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

Research speed reading in 2021. Chemistry is a science major with cience and engineering. The main research directions are chemical synthesis, new energy materials, preparation and modification of special coatings. 363-72-4, Name is Pentafluorobenzene, molecular formula is , belongs to benzoxazole compound. In a document, author is Kapil, S., Name: Pentafluorobenzene.

Folates are essential biomolecules required to carry out many crucial processes in leishmania parasite. Dihydrofolate reductase-thymidylate synthase (DHFR-TS) and pteridine reductase 1 (PTR1) involved in folate biosynthesis in leishmania have been established as suitable targets for development of chemotherapy against leishmaniasis. In the present study, various computational tools such as homology modelling, pharmacophore modelling, docking, molecular dynamics and molecular mechanics have been employed to design dual DHFR-TS and PTR1 inhibitors. Two designed molecules, i.e. 2-(4-((4-nitrobenzyl)oxy)phenyl)-1H-benzo[d]imidazole and 2-(4-((2,4-dichlorobenzyl)oxy)phenyl)-1H-benzo[d]oxazolemolecules were synthesized. MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide) assay was performed to evaluate in vitro activity of molecules against promastigote form of Leishmania donovani using Miltefosine as standard. 2-(4-((4-nitrobenzyl)oxy)phenyl)-1H-benzo[d]imidazole and 2-(4-((2,4-dichlorobenzyl)oxy)phenyl)-1H-benzo[d]oxazolemolecules were found to be moderately active with showed IC50 = 68 +/- 2.8 mu M and 57 +/- 4.2 mu M, respectively.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

Research speed reading in 2021. Chemistry is a science major with cience and engineering. The main research directions are chemical synthesis, new energy materials, preparation and modification of special coatings. 392-56-3, Name is Hexafluorobenzene, molecular formula is , belongs to benzoxazole compound. In a document, author is Wang, Lifei, Category: benzoxazole.

Given the paramount importance of excited-state relaxation in the photochemical process, excited-state hydrogen bonding interactions and excited-state intramolecular proton transfer (ESIPT) are always hot topics. In this work, we theoretically explore the excited-state dynamical behaviors for a novel 2-(3,5-dichloro-2,6-dihydroxy-phenyl)-benzoxazole-6-carboxylicacid (DDPBC) system. As two intramolecular hydrogen bonds (O1-H2MIDLINE HORIZONTAL ELLIPSISN3 and O4-H5MIDLINE HORIZONTAL ELLIPSISO6) exist in the DDPBC structure, we first check if the double proton transfer form cannot be formed in the S1 state. Then, we explore the changes of geometrical parameters involved in hydrogen bonds, based on which we confirm that the dual intramolecular hydrogen bonds are strengthened on photo-excitation. The O1-H2MIDLINE HORIZONTAL ELLIPSISN3 hydrogen bond particularly plays a more important role in excited state. When it comes to the photo-induced excitation, we find charge transfer and electronic density redistribution around O1-H2 and N3 atom moieties. We verify the ESIPT tendency arising from the O1-H2MIDLINE HORIZONTAL ELLIPSISN3 hydrogen bond. In the analysis of the potential energy curves, along with O1-H2MIDLINE HORIZONTAL ELLIPSISN3 and O4-H5MIDLINE HORIZONTAL ELLIPSISO6, we demonstrate that the ESIPT reaction should occur along with O1-H2MIDLINE HORIZONTAL ELLIPSISN3 rather than O4-H5MIDLINE HORIZONTAL ELLIPSISO6. This work not only clarifies the specific ESIPT mechanism for DDPBC system but also paves the way for further novel applications based on DDPBC structure in the future.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

Research speed reading in 2021. Enzyme inhibitors cause a decrease in the reaction rate of an enzyme-catalyzed reaction by binding to a specific portion of an enzyme and thus slowing or preventing a reaction from occurring. 345-92-6, Name is Bis(4-Fluorophenyl)methanone, molecular formula is , belongs to benzoxazole compound. In a document, author is Mamardashvili, Galina M., COA of Formula: https://www.ambeed.com/products/345-92-6.html.

Supramolecular triads consisting of hydrophilic Sn(IV)-tetra(4-sulfophenyl)-porphyrin and two axial guests such as propylphenol, tyrosine, and 2-(2-hydroxyphenyl)-benzoxazole were synthesized. The structures of synthesized complexes were identified by experimental spectroscopic and quantum-chemical simulation methods, and their fluorescent properties were studied in various viscosity media (mixed phosphate buffer-glycerin solvents of different composition). The effect of axial ligand structure on the fluorescent properties of these triads (due to the hydrogen bonding or pi-pi stacking between the components of host-guest systems) is discussed. The potential use of synthesized complexes as environmental probes of local viscosity is proposed. (C) 2019 Elsevier B.V. All rights reserved.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

New Advances in Chemical Research in 2021.The dynamic chemical diversity of the numerous elements, ions and molecules that constitute the basis of life provides wide challenges and opportunities for research. 136630-39-2, Name is 2,7-Dibromo-9H-carbazole, molecular formula is , belongs to benzoxazole compound. In a document, author is Luo, Bo, Safety of 2,7-Dibromo-9H-carbazole.

Based on benzoxazole and benzothiazole scaffold as an important pharmacophore, two series of 2-(aryloxymethyl) benzoxazole and benzothiazole derivatives were synthesized and their antifungal effects against eight phytopathogenic fungi were evaluated. Compounds 5a, 5b, 5h, and 5i exhibited significant antifungal activities against most of the pathogens tested. Especially 5a, 5b, 5h, 5i, 5j, and 6h inhibited the growth of F. solani with IC50 of 4.34-17.61 mu g/mL, which were stronger than that of the positive control, hymexazol (IC50 of 38.92 mu g/mL). 5h was the most potent inhibitor (IC50 of 4.34 mu/mL) against F. Solani, which was about nine times more potent than hymexazol. Most of the test compounds displayed significant antifungal effects against B. cinerea (IC50 of 19.92-77.41 mu g/mL), among them, 5a was the best one (IC50 of 19.92 mu g/mL). The structure-activity relationships (SARs) were compared and analyzed. The result indicates that the electron-drawing ability and position of the substituents have a significant impact on biological activities. Furthermore, docking studies were carried out on the lipid transfer protein sec14p from S. cerevisiae, and preliminarily verified the antifungal activities. Taken together, these results provide 2-(phenoxymethyl)benzo[d]oxazole as an encouraging framework that could lead to the development of potent novel antifungal agents.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

Research speed reading in 2021. Enzyme inhibitors cause a decrease in the reaction rate of an enzyme-catalyzed reaction by binding to a specific portion of an enzyme and thus slowing or preventing a reaction from occurring. 108-32-7, Name is 4-Methyl-1,3-dioxolan-2-one, molecular formula is , belongs to benzoxazole compound. In a document, author is Hayek, Ali, Application In Synthesis of 4-Methyl-1,3-dioxolan-2-one.

A new homopolymer, 6FDA-CARDO(t-Bu), was prepared from 6FDA-CARDO through one-step chemical modification by adding bulky tert-butyl groups, using Friedel-Crafts alkylation. The incorporation of the bulky groups led to a significant increase in the fractional free volume (FFV) within the matrix of membranes prepared from the modified polymer. The thermal properties of the modified polymer were not greatly affected compared to those of its parent 6FDA-CARDO homopolymer, where the T-d5% and the T-g were measured to be 517 degrees C and 366 degrees C, respectively. The hydrazine-assisted cleavage of 6FDA-CARDO(t-Bu) led to the preparation of the new diamine monomer CARDO(t-Bu) in high yield. Pure-gas and multicomponent sweet and sour mixed-gas permeation studies of dense films prepared from 6FDA-CARDO(t-Bu) were carried out and compared to those of membranes prepared from 6FDA-CARDO. For example, the carbon dioxide (CO2) pure-gas permeability of the 6FDA-CARDO(t-Bu) membrane was measured at 100 psi feed pressure and 22 degrees C, and found to be 271 Barrer which is 4.6-fold higher when compared to that of 6FDA-CARDO membranes. Due to a simultaneous increase in the methane (CH4) pure-gas permeability, a reduction in the CO2/CH4 selectivity of the 6FDA-CARDO(t-Bu) membrane was recorded. A similar effect was observed for the sweet mixed-gas separation studies. Interestingly, the sour mixed-gas (containing 21% hydrogen sulfide, H2S) separation properties of the 6FDA-CARDO(t-Bu) membrane showed a different trend. At 500 psi and 22 degrees C, the H2S/CH4 selectivity was 10% higher, and the CO2 and H2S permeability coefficients were 3.2- and 3.8-fold, respectively, higher compared to those obtained for 6FDA-CARDO membranes.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem