Month: November 2022

Lee, Ji-Youn; Seo, Sumin; Shin, Bohyun; Hong, Se Hee; Kwon, Eunjin; Park, Sunwha; Hur, Young Min; Lee, Dong-Kyu; Kim, Young Ju; Han, Sang Beom published an article in 2022, the title of the article was Development of a New Biomarker Model for Predicting Preterm Birth in Cervicovaginal Fluid.Name: 2,3-Dihydroxypropanoic acid And the article contains the following content:

Preterm birth (PTB) is a social problem that adversely affects not only the survival rate of the fetus, but also the premature babies and families, so there is an urgent need to find accurate biomarkers. We noted that among causes, eubiosis of the vaginal microbial community to dysbiosis leads to changes in metabolite composition In this study, short chain fatty acids (SCFAs) representing dysbiosis were derivatized using (N-tert-butyldimethylsilyl-N-methyltrifluoroacetamide, MTBSTFA) and targeted anal. was conducted in extracted organic phases of cervicovaginal fluid (CVF). In residual aqueous CVF, polar metabolites produced biochem. process were derivatized using methoxyamine and N,O-bis(trimethylsilyl)trifluoroacetamide (BSTFA), and non-targeted anal. were conducted. Nine SCFAs were quantified, and 58 polar metabolites were detected in 90 clin. samples using gas chromatog./mass spectrometry (GC/MS). The criteria of statistical anal. and detection rate of clin. sample for development of PTB biomarkers were presented, and 19 biomarkers were selected based on it, consisting of 1 SCFA, 2 organic acids, 4 amine compounds, and 12 amino acids. In addition, the model was evaluated as a suitable indicator for predicting PTB without distinction between sample collection time. We hope that the developed biomarkers based on microbiota-derived metabolites could provide useful diagnostic biomarkers for actual patients and pre-pregnancy. The experimental process involved the reaction of 2,3-Dihydroxypropanoic acid(cas: 473-81-4).Name: 2,3-Dihydroxypropanoic acid

The Article related to cervicovaginal fluid preterm birth biomarker model development, biomarker model, cervicovaginal fluid (cvf), polar metabolite, preterm birth (ptb), short chain fatty acid (scfa), vaginal microbiome and other aspects.Name: 2,3-Dihydroxypropanoic acid

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

On September 30, 2022, Chung, Hyuk-Jin; Lee, Hwanhui; Kim, Myeongsun; Lee, Ji Won; Saeed, Maham; Lee, Hayera; Jung, Seung-Hee; Shim, Jae-Jung; Lee, Jung-Lyoul; Heo, Keon; Choi, Hyung-Kyoon published an article.Recommanded Product: 2,3-Dihydroxypropanoic acid The title of the article was Development and metabolic profiling of a postbiotic complex exhibiting antibacterial activity against skin microorganisms and anti-inflammatory effect on human keratinocytes. And the article contained the following:

Beyond probiotics, the interest in the application of postbiotics to various fields has been growing. We aimed to develop a novel postbiotic complex (PC) with antibacterial and anti-inflammatory properties. Through antibacterial activity testing against Staphylococcus aureus or Cutibacterium acnes, a PC [a mixture of cell-free supernatants (postbiotics) from probiotic Lactobacillus helveticus (HY7801) and Lactococcus lactis (HY449)] was developed. Anti-inflammatory activity of the PC was investigated using HaCaT keratinocytes treated with S. aureus or C. acnes. PC significantly decreased IL-8 levels and increased hyaluronic acid levels in HaCaT cells cultured with S. aureus or C. acnes. GC-MS based metabolic profiling suggested 2-hydroxyisocaproic acid, hypoxanthine, succinic acid, ornithine, and γ-aminobutyric acid as potential contributing metabolites for the antibacterial and anti-inflammatory effects of PC. The PC developed in this study could be utilized in food, cosmetics, and pharmaceutical products as an alternative or complementary resources of probiotics. The experimental process involved the reaction of 2,3-Dihydroxypropanoic acid(cas: 473-81-4).Recommanded Product: 2,3-Dihydroxypropanoic acid

The Article related to skin microorganism postbiotic antibacterial antiinflammatory human keratinocyte metabolic profiling, anti-inflammatory activity, antibacterial activity, metabolic profiling, postbiotics, probiotics and other aspects.Recommanded Product: 2,3-Dihydroxypropanoic acid

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

On August 1, 2021, Lin, Jieye; Oliver, Allen G.; Meredith, Reagan J.; Carmichael, Ian; Serianni, Anthony S. published an article.Related Products of 585-88-6 The title of the article was Isopropyl 3-deoxy-α-D-ribo-hexopyranoside (isopropyl 3-deoxy-α-D-glucopyranoside): evaluating trends in structural parameters. And the article contained the following:

Iso-Pr 3-deoxy-α-D-ribo-hexopyranoside (iso-Pr 3-deoxy-α-D-glucopyranoside), C9H18O5, (I), crystallizes from a methanol-Et acetate solvent mixture at room temperature in a 4C1 chair conformation that is slightly distorted towards the C5SC1 twist-boat form. A comparison of the structural parameters in (I), Me α-D-glucopyranoside, (II), α-D-glucopyranosyl-(1→4)-D-glucitol (maltitol), (III), and 3-deoxy-α-D-ribo-hexopyranose (3-deoxy-α-D-glucopyranose), (IV), shows that most endocyclic and exocyclic bond lengths, valence bond angles and torsion angles in the aldohexopyranosyl rings are more affected by anomeric configuration, aglycon structure and/or the conformation of exocyclic substituents, such as hydroxymethyl groups, than by monodeoxygenation at C3. The structural effects observed in the crystal structures of (I)-(IV) were confirmed though d. functional theory (DFT) calculations in computed structures (I)c-(IV)c. Exocyclic hydroxymethyl groups adopt the gauche-gauche (gg) conformation (H5 anti to O6) in (I) and (III), and the gauche-trans (gt) conformation (C4 anti to O6) in (II) and (IV). The O-glycoside linkage conformations in (I) and (III) resemble those observed in disaccharides containing β-(1→4) linkages. The experimental process involved the reaction of SweetPearlR P300 DC Maltitol(cas: 585-88-6).Related Products of 585-88-6

The Article related to isopropyl deoxy ribohexopyranoside glucopyranoside crystal structure dft, dft, chemical synthesis, crystal structure, isopropyl 3-deoxy-α-d-glucopyranoside, isopropyl 3-deoxy-α-d-ribo-hexopyranoside and other aspects.Related Products of 585-88-6

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Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

On May 8, 2003, Minich, Martha Lou; Rast, Bryson; Sakya, Subas Man; Sahvnya, Andrei published a patent.Computed Properties of 72364-46-6 The title of the patent was An efficient synthesis of 1-[sulfonylphenyl(or pyridyl)] pyrazoles as COX-2 inhibitors. And the patent contained the following:

The title compounds [I; the ring of the formula (R5)-A-(SOmR4) = II-VIII; m = 0-2; X = CR5, N; R1 = H, NO2, CN, etc.; R2 = H, NO2, CN, etc.; R3 = NR6NR7R8, NR6OR7, OR7, SR7, NR7R8 (wherein R6 = H, alkyl, alkenyl, etc.; or R6 and R7 may optionally taken together with the N atom or O atom to which they are attached to form 3-8 membered heterocyclyl ring; R8 = H, alkyl, alkenyl, etc.; or NR7R8 = 3-8 membered heterocyclyl); R4 = NH2, mono- and dialkylamino, etc.; R5 = H, halo, OH, etc.], useful as antiinflammatory/analgesic agents, were prepared by reacting a compound IX [the ring of the formula (R5)-A-(SOmR4), m, R1-R8 are as defined above and R10 = halo, alkylSO3, arylSO3, alkylSO2, arylSO2; wherein each of said alkyl components may optionally be substituted on any carbon atom by 1-6 fluoro substituents per alkyl component] with a compound R3H [R3 is as defined above] in the presence of a fluoride containing salt and in the presence of a solvent. Thus, reacting 5-chloro-1-(5-methanesulfonylpyridin-2-yl)-3-trifluoromethyl-1H-pyrazole-4-carbonitrile with (4-methylenecyclohexyl)methanol in the presence of KF in DMSO afforded 68% the pyrazole X. Most compounds prepared in Examples showed IC50 values of 0.001 μM to 3 μM with respect to inhibition of COX-2 in either the canine or human assays. The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).Computed Properties of 72364-46-6

The Article related to sulfonylphenylpyrazole sulfonylpyridylpyrazole preparation cyclooxygenase cox2 inhibitor, pyrazole sulfonylphenyl sulfonylpyridyl preparation cyclooxygenase cox2 inhibitor antiinflammatory analgesic and other aspects.Computed Properties of 72364-46-6

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

On November 30, 2022, Dieguez-Santana, Karel; Nachimba-Mayanchi, Manuel Mesias; Puris, Amilkar; Gutierrez, Roldan Torres; Gonzalez-Diaz, Humberto published an article.Computed Properties of 4719-04-4 The title of the article was Prediction of acute toxicity of pesticides for Americamysis bahia using linear and nonlinear QSTR modelling approaches. And the article contained the following:

Globally, pesticides are toxic substances with wide applications. However, the widespread use of pesticides has received increasing attention from regulatory agencies due to their various acute and chronic effects on multiple organisms. In this study, Quant. Structure-Toxicity Relationship (QSTR) models were established using Multiple Linear Regression (MLR) and five Machine Learning (ML) algorithms to predict pesticide toxicity in Americamysis bahia. The most influential descriptors included in the MLR model are RBF, JGI2, nCbH, nRCOOR, nRSR, nPO4 and ‘Cl-090′, with pos. contributions to the dependent variable (neg. decimal logarithm of median lethal concentration at 96-h). The Random Forest (RF) regression model was superior amongst the five ML models. We observed higher values of R2 (0.812) and lower values of RMSE (0.595) and MAE (0.462) in the cross-validation training set and external validation set. Similarly, this study had a high level of fitness and was internally robust and externally predictive compared to models presented in similar studies. The results suggest that the developed QSTR models are suitable for reliably predicting the aquatic toxicity of structurally diverse pesticides and can be used for screening, prioritising new pesticides, filling data gaps and overcoming the limitations of in vivo and in vitro tests. The experimental process involved the reaction of 2,2’,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol(cas: 4719-04-4).Computed Properties of 4719-04-4

The Article related to pesticide acute toxicity americamysis bahia linear nonlinear qstr modeling, aquatic toxicity, machine learning, multiple linear regression, quantitative structure–toxicity relationship, random forest and other aspects.Computed Properties of 4719-04-4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

On April 15, 1992, Belley, Michel L.; Leblanc, Yves; Labelle, Marc published a patent.Safety of Isochroman-3-ol The title of the patent was Preparation of 7-phenyl-5-[(quinolylmethoxy)phenyl]-4-thiaheptanoates and analogs as leukotriene antagonists. And the patent contained the following:

R1YZCR7[X2r(CR3R3)mZ1n(CR3R22)pQ1]X3r'(CR3R3)m’Z2n'(CR3R4)p’CR2R3Q2 [Q1 = CO2R3, tetrazolyl, cyano, CONH2, etc.; Q2 = OH, amino; R1 = (substituted)-2-quinolyl; R2 = alkyl, alkenyl, CF3, Ph, CH2Ph, etc.; R3 = H, groups cited for R2; CR3R22 = amino acid residue; R4 = halo, NO2, cyano, groups cited for R3, etc.; R7 = H, alkyl; X2, X3 = O, SO0-2, (substituted) CH2; Y = CR3R3X1, X1CR3R3, NR3CO, etc.; X1 = O, SO0-2, NR3; Z = (substituted) phenylenediyl; Z1, Z2 = (substituted) phenylenediyl, heteroarylenediyl; m, m’, p, p’ = 0-8; n, n’, r, r’ = 0, 1] were prepared as leukotriene antagonists (no data). Thus, 7-chloro-2-(bromomethyl)quinoline was condensed with 3-HOC6H4CHO and the product converted in 3 steps to RCH2PPh3Br (R = quinolylmethoxyphenyl group Q) which was condensed with 1H-3-hydroxy-3,4-dihydro-2-benzopyran to give, after oxidation, 2-(MeO2C)C6H4CH2CH:CHR (R = Q). The latter was condensed with HSCH2CHMeCO2H to give, after MeMgBr treatment, title compound I (R = Q). The experimental process involved the reaction of Isochroman-3-ol(cas: 42900-89-0).Safety of Isochroman-3-ol

The Article related to quinolylmethoxyphenylthiaheptanoate preparation leukotriene antagonist, antiasthmatic quinolylmethoxyphenylthiaheptanoate preparation, antiinflammatory quinolylmethoxyphenylthiaheptanoate preparation and other aspects.Safety of Isochroman-3-ol

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Alcohol – Wikipedia,
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On July 6, 2000, Link, James; Liu, Gang; Pei, Zhonghua; Von Geldern, Tom; Winn, Martin; Xin, Zhili; Boyd, Steven A.; Jae, Hwan-Soo; Lynch, John K.; Zhu, Gui-Dong; Freeman, Jennifer C.; Gunawardana, Indrani W.; Staeger, Michael A. published a patent.Quality Control of (6-Bromo-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanol The title of the patent was Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds. And the patent contained the following:

The present invention relates to novel cinnamide compounds that are useful for treating inflammatory and immune diseases, to pharmaceutical compositions containing these compounds, and to methods of inhibiting inflammation or suppressing immune response in a mammal. Among the approx. 400 trans-arylthiocinnamamide title compounds, prepared by standard methods, were 6-benzodioxanyl 2-trifluoromethyl-4-[(E)-2-[3-(R)-(ethoxycarbonyl)piperidinocarbonyl]ethenyl]phenyl sulfide (I), 2-ethoxyphenyl 2-trifluoromethyl-4-[(E)-2-[2-carboxy-4-(methoxycarbonyl)-1-piperazinylcarbonyl]ethenyl]phenyl sulfide (II) and 2-isopropylphenyl 2-nitro-4-[(E)-2-[3-(2-oxo-1-pyrrolidinyl)-1-propylaminocarbonyl]ethenyl]phenyl sulfide (III). The abilities of the title compounds to antagonize the interaction between ICAM-1 and LFA-1 were quantified using both biochem. and cell-based adhesion assays. E.g., compounds I-III exhibited 98% inhibition @ 4μM. The experimental process involved the reaction of (6-Bromo-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanol(cas: 280752-78-5).Quality Control of (6-Bromo-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanol

The Article related to antiinflammatory arylthiocinnamamide preparation, immune suppressive arylthiocinnamamide preparation, cell adhesion inhibitor arylthiocinnamamide preparation, cinnamamide arylthio hetaryl preparation and other aspects.Quality Control of (6-Bromo-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

On May 31, 2021, Thekkangil, Aswani; George, Benu; Prakash, S. M. Udaya; Suchithra, T. V. published an article.Safety of 2,4-Di-tert-butylphenol The title of the article was Mechanism of streptomyces albidoflavus STV1572a derived 1-heneicosanol as an inhibitor against squalene epoxidase of Trichophyton mentagrophytes. And the article contained the following:

An increase in incidences of tinea infections paves the way to discover the novel antifungal drugs from unexplored natural resources. The quality of life in patients with tinea infection may be affected by different factors, including morbidity, length of illness, social and demog. factors. The present investigation explores the functional principle of a bioactive compound isolated from actinomycetes, S. albidoflavus STV1572a by in-silico and in-vitro studies. In continuation of our previous reports on the antidermatophytic potential of S. albidoflavus STV1572a, this study progresses with the in-silico mol. docking study of the seven GC-MS discovered ligands, and six dermatophytic modelled targets. Through virtual screening, it was revealed that a docking score -8.8 between 1-heneicosanol and squalene epoxidase favored partially in understanding the mode of action. Further validation of in-silico study was performed by a sterol quantification assay which confirmed the antidermatophytic mechanism of 1-heneicosanol. Taken together, the evidence from this study suggests that 1-heneicosanol has a potential antidermatophytic compound and can be considered for dermatophytic treatment. The experimental process involved the reaction of 2,4-Di-tert-butylphenol(cas: 96-76-4).Safety of 2,4-Di-tert-butylphenol

The Article related to trichophyton mentagrophytes streptomyces albidoflavus heneicosanol squalene epoxidase, 1-heneicosanol, squalene epoxidase, sterol quantification assay, streptomyces, t. mentagrophytes, tinea infection and other aspects.Safety of 2,4-Di-tert-butylphenol

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Alcohol – Wikipedia,
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Saleemi, Sidra; Aouraghe, Mohamed Amine; Wei, Xiaoxiao; Liu, Wei; Liu, Li; Siyal, M. Irfan; Bae, Jihyun; Xu, Fujun published an article in 2022, the title of the article was Bio-Inspired Hierarchical Carbon Nanotube Yarn with Ester Bond Cross-Linkages towards High Conductivity for Multifunctional Applications.Reference of Pentane-1,5-diol And the article contains the following content:

The cross-linked hierarchical structure in biol. systems provides insight into the development of innovative material structures. Specifically, the sarcoplasmic reticulum muscle is able to transmit elec. impulses in skeletal muscle due to its cross-linked hierarchical tubular cell structure. Inspired by the cross-linked tubular cell structure, we designed and built chem. cross-links between the carbon nanotubes within the carbon nanotube yarn (CNT yarn) structure by an esterification reaction. Consequently, compared with the pristine CNT yarn, its elec. conductivity dramatically enhanced 348%, from 557 S/cm to 1950 S/cm. Furthermore, when applied with three voltages, the electro-thermal temperature of esterified CNT yarn reached 261°C, much higher than that of pristine CNT yarn (175°C). In addition, the esterified CNT yarn exhibits a linear and stable piezo-resistive response, with a 158% enhanced gauge factor (the ratio of elec. resistance changing to strain change ∼1.9). The superconductivity, flexibility, and stable sensitivity of the esterified flexible CNT yarn demonstrate its great potential in the applications of intelligent devices, smart clothing, or other advanced composites. The experimental process involved the reaction of Pentane-1,5-diol(cas: 111-29-5).Reference of Pentane-1,5-diol

The Article related to crosslinked carbon nanotube yarn preparation thermoelec conductivity sarcoplasmic reticulum, bio-inspired, carbon nanotube yarn, electrical properties, esterification, microstructures, smart materials and other aspects.Reference of Pentane-1,5-diol

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Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

On January 8, 2020, Wang, Zhuolin; Xiao, Qing; Zhuang, Jinda; Feng, Tao; Ho, Chi-Tang; Song, Shiqing published an article.Related Products of 96-76-4 The title of the article was Characterization of aroma-active compounds in four yeast extracts using instrumental and sensory techniques. And the article contained the following:

Gas chromatog.-olfactometry coupled with sensory anal. and partial least-squares regression (PLSR) anal. led to the identification of the odorants responsible for the different flavors of four yeast extracts Sensory anal. showed that LA00L had an intense sulfurous attribute, and LA00 was characterized by fatty and green notes, FA31 exhibited the floral odor, while KA02 had strong phenolic, animal, fermented, roasted, and caramellic notes. A total of 37 key aroma compounds with odor activity values greater than 1 were determined 2,4-Di-tert-butylphenol and methional were the most potent aroma compounds In addition, the key aroma compounds in LA00L were nonanal, di-Me disulfide, and γ-decalactone. Octanal, di-Me disulfide, and benzeneacetaldehyde were the key aroma compounds in LA00. In FA31, styrene, benzeneacetaldehyde, and acetophenone were the key aroma compounds, while indole, 2-methoxyphenol, benzeneacetaldehyde, and p-cresol contributed significantly to the aroma of KA02. PLSR showed that p-cresol and indole were significantly responsible for the phenolic and animal notes inducing the off-flavor (yeasty odor) of yeasty extracts More significantly, indole was first reported to have an important effect on yeasty odor. The experimental process involved the reaction of 2,4-Di-tert-butylphenol(cas: 96-76-4).Related Products of 96-76-4

The Article related to aroma yeast extract olfactometry gc, aroma-active compounds, gas chromatography−olfactometry, odor activity value, partial least-squares regression, solvent-assisted flavor evaporation, yeast extracts and other aspects.Related Products of 96-76-4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts