Author: tianli

Leyden, Donald E. published the artcileProton exchange mechanisms of some tertiary benzylamines, Formula: C10H15NO, the publication is Journal of Physical Chemistry (1969), 73(9), 2924-9, database is CAplus.

The rate of proton exchange in aqueous HCl was measured for N,N-dibenzylmethylamine, N-benzyl-N-methylethanolamine, N-benzyl-N-methyl-2-chloroethylamine, and N,N-dimethylbenzylamine. The rate constant, kH, for the breaking of the R3N … HOH hydrogen bond was determined for each compound A factor influencing the value of kH is the H bonding between the protons in the water mol. and the aromatic rings.

Journal of Physical Chemistry published new progress about 101-98-4. 101-98-4 belongs to alcohols-buliding-blocks, auxiliary class Amine,Benzene,Alcohol, name is 2-(Benzyl(methyl)amino)ethanol, and the molecular formula is C10H15NO, Formula: C10H15NO.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Desport, Jessica S. published the artcileFructose-based acrylic copolymers by emulsion polymerization, Computed Properties of 20880-92-6, the publication is Polymers (Basel, Switzerland) (2018), 10(5), 488/1-488/11, database is CAplus and MEDLINE.

The exploration of a renewable resource for the preparation of waterborne copolymers was conducted. Low molar mass sugar resources were selected for their wide availability. A fructose-based monomer (MF) bearing a methacrylate radically polymerizable group was successfully synthesized. The latter was shown to be able to homopolymerize in emulsion. The high T_g of the resulting polymer (about 115 °C) makes it of particular interest for adhesive and coating applications where hard materials are necessary to ensure valuable properties. As a result, its incorporation in waterborne acrylic containing formulations as an equivalent to petrochem.-based Me methacrylate was investigated. It was found that the bio-based monomer exhibited similar behavior to that of common methacrylates, as shown by polymerization kinetics and particle size evolution. Furthermore, the homogeneous incorporation of the sugar units into the acrylate chains was confirmed by a unique glass transition temperature in differential scanning calorimeter (DSC). The potential of MF for the production of waterborne copolymers was greatly valued by the successful increase of formulation solids content up to 45 wt%. Interestingly, polymer insolubility in THF increased with time due to further reactions occurring in storage. Most likely, the partial deprotection of sugar units was the reason for the creation of hydrogen bonding and, thus, phys. insoluble entangled chains. This behavior highlights opportunities to make use of hydroxyl groups either for further functionalization or, eventually, for achieving enhanced adhesion on casted substrates.

Polymers (Basel, Switzerland) published new progress about 20880-92-6. 20880-92-6 belongs to alcohols-buliding-blocks, auxiliary class Other Aliphatic Heterocyclic,Chiral,Alcohol, name is ((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol, and the molecular formula is C12H20O6, Computed Properties of 20880-92-6.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Valdes, Alberto published the artcileMetabolomics study of COVID-19 patients in four different clinical stages, Computed Properties of 621-37-4, the publication is Scientific Reports (2022), 12(1), 1650, database is CAplus and MEDLINE.

SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) is the coronavirus strain causing the respiratory pandemic COVID-19 (coronavirus disease 2019). To understand the pathobiol. of SARS-CoV-2 in humans it is necessary to unravel the metabolic changes that are produced in the individuals once the infection has taken place. The goal of this work is to provide new information about the altered biomol. profile and with that the altered biol. pathways of patients in different clin. situations due to SARS-CoV-2 infection. This is done via metabolomics using HPLC-QTOF-MS anal. of plasma samples at COVID-diagnose from a total of 145 adult patients, divided into different clin. stages based on their subsequent clin. outcome (25 neg. controls (non-COVID); 28 pos. patients with asymptomatic disease not requiring hospitalization; 27 pos. patients with mild disease defined by a total time in hospital lower than 10 days; 36 pos. patients with severe disease defined by a total time in hospital over 20 days and/or admission at the ICU; and 29 pos. patients with fatal outcome or deceased). Moreover, follow up samples between 2 and 3 mo after hospital discharge were also obtained from the hospitalized patients with mild prognosis. The final goal of this work is to provide biomarkers that can help to better understand how the COVID-19 illness evolves and to predict how a patient could progress based on the metabolites profile of plasma obtained at an early stage of the infection. In the present work, several metabolites were found as potential biomarkers to distinguish between the end-stage and the early-stage (or non-COVID) disease groups. These metabolites are mainly involved in the metabolism of carnitines, ketone bodies, fatty acids, lysophosphatidylcholines/phosphatidylcholines, tryptophan, bile acids and purines, but also omeprazole. In addition, the levels of several of these metabolites decreased to “normal” values at hospital discharge, suggesting some of them as early prognosis biomarkers in COVID-19 at diagnose.

Scientific Reports published new progress about 621-37-4. 621-37-4 belongs to alcohols-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Phenol,Natural product, name is 3-Hydroxyphenylacetic acid, and the molecular formula is C20H19NO4, Computed Properties of 621-37-4.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Joshi, Shrinivas D. published the artcileChemical synthesis and in silico molecular modeling of novel pyrrolyl benzohydrazide derivatives: Their biological evaluation against enoyl ACP reductase (InhA) and Mycobacterium tuberculosis, Application In Synthesis of 23351-09-9, the publication is Bioorganic Chemistry (2017), 181-200, database is CAplus and MEDLINE.

In efforts to develop new antitubercular agents, we report here the synthesis of a series of novel pyrrole hydrazine derivatives The mols. were evaluated against inhibitors of InhA, which is one of the key enzymes involved in type II fatty acid biosynthetic pathway of the mycobacterial cell wall as well as inhibitors of Mycobacterium tuberculosis H37Rv. The binding mode of compounds at the active site of enoyl-ACP reductase was explored using the surflex-docking method. The model suggests one or two H-bonding interactions between the compounds and the InhA enzyme. Some compounds exhibited good activities against InhA in addition to promising activities against M. tuberculosis.

Bioorganic Chemistry published new progress about 23351-09-9. 23351-09-9 belongs to alcohols-buliding-blocks, auxiliary class Pyrrole,Benzene,Alcohol, name is 4-(1H-Pyrrol-1-yl)phenol, and the molecular formula is C10H9NO, Application In Synthesis of 23351-09-9.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Kang, Seong-Mook published the artcileA novel synthetic HTB derivative, BECT inhibits lipopolysaccharide-mediated inflammatory response by suppressing the p38 MAPK/JNK and NF-κB activation pathways, Recommanded Product: 2-Hydroxy-4-(trifluoromethyl)benzoic acid, the publication is Pharmacological Reports (2014), 66(3), 471-479, database is CAplus and MEDLINE.

Activated microglia cells are well recognized as mediators of neuroinflammation, as they release nitric oxide and pro-inflammatory cytokines in various neuroinflammatory diseases. Thus, suppressing microglial activation may alleviate neuroinflammatory and neurodegenerative processes. In the present study, we synthesized and investigated the anti-neuroinflammatory effect of a novel HTB (2-hydroxy-4-trifuoromethylbenzoic acid) derivative in lipopolysaccharide (LPS)-stimulated microglial cells. Among the synthesized derivatives, the BECT [But-2-enedioic acid bis-(2-carboxy-5-trifluoromethyl-phenyl) ester] significantly decreased production of nitric oxide and other pro-inflammatory cytokines including tumor necrosis factor-α, interleukin-1β, and interleukin-6 in microglial cells. BECT also mitigated the expression of inducible nitric oxide synthase and cyclooxygenase-2 at both the mRNA and protein levels. Further mechanistic studies demonstrated that the HTB derivative inhibited phosphorylation of JNK and p38 mitogen-activated protein kinase and nuclear translocation of nuclear factor kappa-B in LPS-stimulated BV-2 microglial cells. Thus BECT, our novel synthesized compound have anti-inflammatory activity in microglial cells, and may have therapeutic potential for treating neuroinflammatory diseases.

Pharmacological Reports published new progress about 328-90-5. 328-90-5 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Carboxylic acid,Benzene,Phenol, name is 2-Hydroxy-4-(trifluoromethyl)benzoic acid, and the molecular formula is C8H5F3O3, Recommanded Product: 2-Hydroxy-4-(trifluoromethyl)benzoic acid.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Zheng, Weijia published the artcileCatalytic C-H Trifluoromethoxylation of Arenes and Heteroarenes, HPLC of Formula: 20880-92-6, the publication is Angewandte Chemie, International Edition (2018), 57(31), 9645-9649, database is CAplus and MEDLINE.

The intermol. C-H trifluoromethoxylation of arenes remains a long-standing and unsolved problem in organic synthesis. Herein, is reported the first catalytic protocol employing a trifluoromethoxylating reagent and redox-active catalysts for the direct (hetero)aryl C-H trifluoromethoxylation. The approach is operationally simple, proceeds at room temperature, uses easy-to-handle reagents, requires only 0.03 mol % of redox-active catalysts, does not need specialized reaction apparatus, and tolerates a wide variety of functional groups and complex structures such as sugars and natural product derivatives Importantly, both ground-state and photoexcited redox-active catalysts are effective. Detailed computational and exptl. studies suggest a unique reaction pathway where photoexcitation of the trifluoromethoxylating reagent releases the OCF₃ radical that is trapped by (hetero)arenes. The resulting cyclohexadienyl radicals are oxidized by redox-active catalysts and deprotonated to form the desired products of trifluoromethoxylation.

Angewandte Chemie, International Edition published new progress about 20880-92-6. 20880-92-6 belongs to alcohols-buliding-blocks, auxiliary class Other Aliphatic Heterocyclic,Chiral,Alcohol, name is ((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol, and the molecular formula is C9H9NO6S, HPLC of Formula: 20880-92-6.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Rimnacova, Lucie published the artcileEthyl chloroformate mediated gas chromatographic-mass spectrometric biomonitoring of acidic biomarkers of occupational exposure and endogenous metabolites in human urine, Category: alcohols-buliding-blocks, the publication is Journal of Chromatography A (2021), 462547, database is CAplus and MEDLINE.

Numerous industrial organic pollutants such as aromates, alkoxyalcs., other organic solvents and monomers are absorbed, metabolized, and finally excreted in urine mostly as carboxylic acids that are determined as biomarkers of exposure. For a number of these xenometabolites, biol. limits (levels of biomarkers in biol. material) have been established to prevent damage to human health. Till now, most of the anal. procedures used have been optimized for one or a few analytes. Here, we report a more comprehensive approach enabling rapid GC-MS screening of sixteen acidic biomarkers in urine that are metabolized in the human body from several important industrial chems.; benzene, toluene, styrene, xylenes, alkoxyalcs., carbon disulfide, furfural and N,N-dimethylformamide. The new method involves immediate in situ derivatization – liquid liquid microextraction of urine by an Et chloroformate-ethanol-chloroform-pyridine medium and GC-MS anal. of the derivatized analytes in the lower organic phase. The xenometabolite set represents diverse chem. structures and some of hippuric and mercapturic acids also provided unusual derivatives that were unambiguously elucidated by means of new Et chloroformates labeled with stable isotopes and by synthesis of the missing reference standards In the next step, an automated routine was developed for GC-MS/MS anal. using a MetaboAuto sample preparation workstation and the new method was validated for fourteen metabolites over the relevant concentration range of each analyte in the spiked pooled human urine. It shows good linearity (R2 ≥ 0.982), accuracy (from 85% to 120%), precision (from 0.7% to 20%) and recovery (from 89% to 120%). The method performance was further successfully proved by GC-MS/MS anal. of the certified IP45 and RM6009 reference urines. Moreover, we show that the new method opens up the possibility for biomonitoring of combined and cumulative occupational exposures as well as for urinary metabolite profiling of persons exposed to harmful industrial chems.

Journal of Chromatography A published new progress about 90-64-2. 90-64-2 belongs to alcohols-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Alcohol,Natural product, name is 2-Hydroxy-2-phenylacetic acid, and the molecular formula is C8H8O3, Category: alcohols-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Rimnacova, Lucie published the artcileEthyl chloroformate mediated gas chromatographic-mass spectrometric biomonitoring of acidic biomarkers of occupational exposure and endogenous metabolites in human urine, Quality Control of 621-37-4, the publication is Journal of Chromatography A (2021), 462547, database is CAplus and MEDLINE.

Numerous industrial organic pollutants such as aromates, alkoxyalcs., other organic solvents and monomers are absorbed, metabolized, and finally excreted in urine mostly as carboxylic acids that are determined as biomarkers of exposure. For a number of these xenometabolites, biol. limits (levels of biomarkers in biol. material) have been established to prevent damage to human health. Till now, most of the anal. procedures used have been optimized for one or a few analytes. Here, we report a more comprehensive approach enabling rapid GC-MS screening of sixteen acidic biomarkers in urine that are metabolized in the human body from several important industrial chems.; benzene, toluene, styrene, xylenes, alkoxyalcs., carbon disulfide, furfural and N,N-dimethylformamide. The new method involves immediate in situ derivatization – liquid liquid microextraction of urine by an Et chloroformate-ethanol-chloroform-pyridine medium and GC-MS anal. of the derivatized analytes in the lower organic phase. The xenometabolite set represents diverse chem. structures and some of hippuric and mercapturic acids also provided unusual derivatives that were unambiguously elucidated by means of new Et chloroformates labeled with stable isotopes and by synthesis of the missing reference standards In the next step, an automated routine was developed for GC-MS/MS anal. using a MetaboAuto sample preparation workstation and the new method was validated for fourteen metabolites over the relevant concentration range of each analyte in the spiked pooled human urine. It shows good linearity (R2 ≥ 0.982), accuracy (from 85% to 120%), precision (from 0.7% to 20%) and recovery (from 89% to 120%). The method performance was further successfully proved by GC-MS/MS anal. of the certified IP45 and RM6009 reference urines. Moreover, we show that the new method opens up the possibility for biomonitoring of combined and cumulative occupational exposures as well as for urinary metabolite profiling of persons exposed to harmful industrial chems.

Journal of Chromatography A published new progress about 621-37-4. 621-37-4 belongs to alcohols-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Phenol,Natural product, name is 3-Hydroxyphenylacetic acid, and the molecular formula is C8H8O3, Quality Control of 621-37-4.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Tao, Wenjie published the artcileRedox-Neutral S-nitrosation Mediated by a Dicopper Center, Name: 2-Phenylethanethiol, the publication is Angewandte Chemie, International Edition (2021), 60(29), 15980-15987, database is CAplus and MEDLINE.

A redox-neutral S-nitrosation of thiol has been achieved at a dicopper(I,I) center. Treatment of dicopper (I,I) complex with excess NO^. and thiol generates a dicopper (I,I) di-S-nitrosothiol complex [Cu^ICu^I(RSNO)₂]²⁺ or dicopper (I,I) mono-S-nitrosothiol complex [Cu^ICu^I(RSNO)]²⁺, which readily release RSNO in 88-94% yield. The S-nitrosation proceeds by a mixed-valence [Cu^IICu^III(μ-O)(μ-NO)]²⁺ species, which deprotonates RS-H at the basic μ-O site and nitrosates RS^– at the μ-NO site. The [Cu^IICu^III(μ-O)(μ-NO)]²⁺ complex is also competent for O-nitrosation of MeOH. A rare [Cu^IICu^II(μ-NO)(OMe)]²⁺ intermediate was isolated and fully characterized, suggesting the S-nitrosation may proceed through the intermediary of analogous [Cu^IICu^II(μ-NO)(SR)]²⁺ species. This redox- and proton-neutral S-nitrosation process is the first functional model of ceruloplasmin in mediating S-nitrosation of external thiols, with implications for biol. copper sites in the interconversion of NO^./RSNO.

Angewandte Chemie, International Edition published new progress about 4410-99-5. 4410-99-5 belongs to alcohols-buliding-blocks, auxiliary class Thiol,Benzene, name is 2-Phenylethanethiol, and the molecular formula is C8H7ClO3, Name: 2-Phenylethanethiol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Sturtz, Benjamin W. published the artcileStructural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines, Formula: C6H16OSi, the publication is Journal of Physical Chemistry A (2019), 123(2), 471-481, database is CAplus and MEDLINE.

In a pair of earlier papers, the existence of long directional interaction bonds, LDI bonds, was postulated on the basis of data for cofacial oligomeric siloxysilicon phthalocyanines from this laboratory and data for other cofacial oligomeric phthalocyanines from the literature. However, the combined data are not fully suited to the purpose for which they were used. Here an alternative approach is taken in which a carefully chosen group of dimeric cofacial siloxysilicon phthalocyanines is used. Structural data derived from these phthalocyanines is examined in some detail to determine where it conforms to normal expectations and where it does not. To a high degree of certainty, consideration of the results obtained shows that long directional (LDI) bonds exist in dimeric cofacial siloxysilicon phthalocyanines. The new data also provide an opportunity for other research on chem. bonds.

Journal of Physical Chemistry A published new progress about 597-52-4. 597-52-4 belongs to alcohols-buliding-blocks, auxiliary class Aliphatic Chain, name is Triethylsilanol, and the molecular formula is C14H10O4, Formula: C6H16OSi.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts