Tag: 100-200

On October 31, 2020, Li, Zhuo; Wang, Bing; Zhang, Bingbing; Cui, Guoyi; Zhang, Fenyan; Xu, Long; Jiao, Linyu; Pang, Lingyan; Ma, Xiaoxun published an article.Computed Properties of 621-37-4 The title of the article was Synthesis, Characterization and Optoelectronic Property of Axial-Substituted Subphthalocyanines. And the article contained the following:

Two novel substituted subphthalocyanines have been prepared introducing m-hydroxybenzoic acid and m-hydroxyphenylacetic acid into the axial position of bromo-subphthalocyanine. The compounds have been characterized by Fourier transform IR (FT-IR), NMR (NMR) and single-crystal X-rays diffraction (XRD) methods. Their photophys. properties show that the axial substitution results into a relatively higher fluorescence quantum efficiency (FF = 5.74 for m-hydroxybenzoic acid and 9.09% for m-hydroxyphenylacetic acid) in comparison with that of the prototype compound, despite the almost negligible influence on the maximum absorption or the emission position. Moreover, the electrochem. behaviors show that the axial-substituted subphthalocyanines also exhibit enhanced specific capacitances of 395 F/g (m-hydroxybenzoic acid) and 362 F/g (m-hydroxyphenylacetic acid) compared with 342 F/g (the prototype) to the largest capacitance at the scan rate of 5 mV/s, and the significantly larger capacitance retentions of 83.6% and 82.1% vs. 37.3% upon d. up to 3 A/g. These results show the potential of these axial-substituted subphthalocyanines in the use as organic photovoltaics and supercapacitors. The experimental process involved the reaction of 3-Hydroxyphenylacetic acid(cas: 621-37-4).Computed Properties of 621-37-4

The Article related to subphthalocyanine organic photovoltaic supercapacitor optoelectronic property, axial-substitution, electrochemical properties, organic optoelectronics, photophysical properties, subphthalocyanines and other aspects.Computed Properties of 621-37-4

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On July 31, 2022, Kim, Sooah; Hwang, Jiwon; Kim, Jungyeon; Lee, Sun-Hee; Cheong, Yu Eun; Lee, Seulkee; Kim, Kyoung Heon; Cha, Hoon-Suk published an article.Name: 2,3-Dihydroxypropanoic acid The title of the article was Metabolic discrimination of synovial fluid between rheumatoid arthritis and osteoarthritis using gas chromatography/time-of-flight mass spectrometry. And the article contained the following:

Rheumatoid arthritis (RA) and osteoarthritis (OA) are clinicopathol. different. We aimed to assess the feasibility of metabolomics in differentiating the metabolite profiles of synovial fluid between RA and OA using gas chromatog./time-of-flight mass spectrometry. We first compared the global metabolomic changes in the synovial fluid of 19 patients with RA and OA. Partial least squares-discriminant, hierarchical clustering, and univariate analyses were performed to distinguish metabolites of RA and OA. These findings were then validated using synovial fluid samples from another set of 15 patients with RA and OA. We identified 121 metabolites in the synovial fluid of the first 19 samples. The score plot of PLS-DA showed a clear separation between RA and OA. Twenty-eight crucial metabolites, including hypoxanthine, xanthine, adenosine, citrulline, histidine, and tryptophan, were identified to be capable of distinguishing RA metabolism from that of OA; these were found to be associated with purine and amino acid metabolism Our results demonstrated that metabolite profiling of synovial fluid could clearly discriminate between RA and OA, suggesting that metabolomics may be a feasible tool to assist in the diagnosis and advance the comprehension of pathol. processes for diseases. The experimental process involved the reaction of 2,3-Dihydroxypropanoic acid(cas: 473-81-4).Name: 2,3-Dihydroxypropanoic acid

The Article related to metabolome synovial fluid gas chromatog tofms rheumatoid arthritis osteoarthritis, gas chromatography–mass spectrometry, metabolite profiling, osteoarthritis, rheumatoid arthritis, synovial fluid and other aspects.Name: 2,3-Dihydroxypropanoic acid

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On January 1, 2021, Wang, Yuhong; Mi, Tian; Li, Yiming; Kan, Weijuan; Xu, Gaoya; Li, Jingya; Zhou, Yubo; Li, Jia; Jiang, Xuefeng published an article.Name: 1-Decanethiol The title of the article was Design, synthesis and biological evaluation of thioether-containing lenalidomide and pomalidomide derivatives with anti-multiple myeloma activity. And the article contained the following:

In this work, the designed lenalidomides I [R = Et, Ph, 2-naphthyl, etc.; X = S, Se] and pomalidomides II [R1 = Et, pentyl, hexyl, 4-MeC6H4, 6-chloro-2-pyridyl; Y = S, Se] were synthesized and evaluated. The anti-proliferative activity against MM.1S cell line of compound I [R = 4-FC6H4, X = S] (IC50 = 79 nM) was similar to lenalidomide (IC50 = 81 nM). Compared to compound I [R = 4-F3CC6H4CH2], the half-live (T1/2) of compound I [R = 4-FC6H4, X = S] in human liver microsomes was promoted from 3 min to 416.7 min. The corresponding metabolic factor of compound I [R = 4-FC6H4, X = S] was increased from 2.8% to 79.5%, which was slightly lower than lenalidomide (91.5%). Moreover, the IKZF1 degradation of compounds I [R = 2-MeOC6H4, 4-FC6H4, X = S] was well related with corresponding IC50 values, which suggested the IKZF1 degradation efficiency was correlated to the responses of MM1.S cells. Furthermore, the oral administration of compounds I [R = 2-MeOC6H4, 4-FC6H4, X = S] at dosages of 60 mg/kg could delay tumor growth in female CB-17 SCID mice. This research helped to prompt the stability of thioether lenalidomide analogs, which paved the way for developing better mols. for treating multiple myeloma. The experimental process involved the reaction of 1-Decanethiol(cas: 143-10-2).Name: 1-Decanethiol

The Article related to thioether containing lenalidomide preparation antitumor human sar, pomalidomide thioether containing preparation antitumor human sar, late-stage sulfuration, lenalidomide, mm.1s, multiple myeloma and other aspects.Name: 1-Decanethiol

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On July 17, 2015, Diez, Veronica; Loznik, Mark; Taylor, Sandra; Winn, Michael; Rattray, Nicholas J. W.; Podmore, Helen; Micklefield, Jason; Goodacre, Royston; Medema, Marnix H.; Mueller, Ulrike; Bovenberg, Roel; Janssen, Dick B.; Takano, Eriko published an article.Application In Synthesis of H-Phg(4-OH)-OH The title of the article was Functional Exchangeability of Oxidase and Dehydrogenase Reactions in the Biosynthesis of Hydroxyphenylglycine, a Nonribosomal Peptide Building Block. And the article contained the following:

A key problem in the engineering of pathways for the production of pharmaceutical compounds is the limited diversity of biosynthetic enzymes, which restricts the attainability of suitable traits such as less harmful byproducts, enhanced expression features, or different cofactor requirements. A promising synthetic biol. approach is to redesign the biosynthetic pathway by replacing the native enzymes by heterologous proteins from unrelated pathways. In this study, we applied this method to effectively re-engineer the biosynthesis of hydroxyphenylglycine (HPG), a building block for the calcium-dependent antibiotic of Streptomyces coelicolor, a nonribosomal peptide. A key step in HPG biosynthesis is the conversion of 4-hydroxymandelate to 4-hydroxyphenylglyoxylate, catalyzed by hydroxymandelate oxidase (HmO), with concomitant generation of H2O2. The same reaction can also be catalyzed by O2-independent mandelate dehydrogenase (MdlB), which is a catabolic enzyme involved in bacterial mandelate utilization. In this work, we engineered alternative HPG biosynthetic pathways by replacing the native HmO in S. coelicolor by both heterologous oxidases and MdlB dehydrogenases from various sources and confirmed the restoration of calcium-dependent antibiotic biosynthesis by biol. and UHPLC-MS anal. The alternative enzymes were isolated and kinetically characterized, confirming their divergent substrate specificities and catalytic mechanisms. These results demonstrate that heterologous enzymes with different physiol. contexts can be used in a Streptomyces host to provide an expanded library of enzymic reactions for a synthetic biol. approach. This study thus broadens the options for the engineering of antibiotic production by using enzymes with different catalytic and structural features. The experimental process involved the reaction of H-Phg(4-OH)-OH(cas: 32462-30-9).Application In Synthesis of H-Phg(4-OH)-OH

The Article related to hydroxyphenylglycine biosynthesis oxidase dehydrogenase functional exchangeability, hmo, mdlb, uhplc-ms, calcium-dependent antibiotics, l-hpg biosynthesis, nonribosomal peptide, synthetic biology and other aspects.Application In Synthesis of H-Phg(4-OH)-OH

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Alcohol – Wikipedia,
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On February 19, 2020, Gonzalez-Dominguez, Raul; Urpi-Sarda, Mireia; Jauregui, Olga; Needs, Paul W.; Kroon, Paul A.; Andres-Lacueva, Cristina published an article.Reference of 3-Hydroxyphenylacetic acid The title of the article was Quantitative Dietary Fingerprinting (QDF)-A Novel Tool for Comprehensive Dietary Assessment Based on Urinary Nutrimetabolomics. And the article contained the following:

Accurate dietary assessment is a challenge in nutritional research, needing powerful and robust tools for reliable measurement of food intake biomarkers. In this work, we have developed a novel quant. dietary fingerprinting (QDF) approach, which enables for the first time the simultaneous quantitation of about 350 urinary food-derived metabolites, including (poly)phenolic aglycons, phase II metabolites, and microbial-transformed compounds, as well as other compounds (e.g., glucosinolates, amino acid derivatives, methylxanthines, alkaloids, and markers of alc. and tobacco consumption). This method was fully validated for 220 metabolites, yielding good linearity, high sensitivity and precision, accurate recovery rates, and negligible matrix effects. Furthermore, 127 addnl. phase II metabolites were also included in this method after identification in urines collected from acute dietary interventions with various foods. Thus, this metabolomic approach represents one-step further toward precision nutrition and the objective of improving the accurateness and comprehensiveness in the assessment of dietary patterns and lifestyles. The experimental process involved the reaction of 3-Hydroxyphenylacetic acid(cas: 621-37-4).Reference of 3-Hydroxyphenylacetic acid

The Article related to quant dietary fingerprinting urine nutrimetabolomics, dietary assessment, quantitative dietary fingerprinting (qdf), targeted metabolomics, ultra-high-performance liquid chromatography−tandem mass spectrometry, urine and other aspects.Reference of 3-Hydroxyphenylacetic acid

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Bazylak, G. published an article in 1994, the title of the article was Differentiation of alkanolamine properties by multivariate analysis of a database founded by their molecular parameters and chromatographic measurements results.Product Details of 2160-93-2 And the article contains the following content:

A set of 29 congeneric alkanolamines, mainly ethanolamine and diethanolamine derivatives, were analyzed in 3 different paper chromatog. and 2 similar reversed-phase TLC methods to create a database. The capacity factors of the solutes in the RP-TLC were determined using octadecyl-silica layers using 9:1 mixtures of MeOH+H2O or MeCN+H2O as mobile phases. Seven topol. and informational mol. descriptors of the solutes were calculated All the chromatog. and mol. data were subjected to principal component anal. (PCA) and hierarchical cluster anal. (HCA) which indicated the main factors affecting the observed physicochem. similarities and dissimilarities of alkanolamines in the chromatog. systems. Multivariate statistical classification of the alkanolamines showed a slight difference in the results of PCA and HCA evaluation. The experimental process involved the reaction of 2,2′-(tert-Butylazanediyl)diethanol(cas: 2160-93-2).Product Details of 2160-93-2

The Article related to alkanolamine property database multivariate analysis, paper chromatog alkanolamine, planar chromatog alkanolamine, reversed phase tlc alkanolamine, thin layer chromatog alkanolamine, topol mol descriptor alkanolamine and other aspects.Product Details of 2160-93-2

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On February 22, 2022, Leong, Shi Xuan; Leong, Yong Xiang; Tan, Emily Xi; Sim, Howard Yi Fan; Koh, Charlynn Sher Lin; Lee, Yih Hong; Chong, Carice; Ng, Li Shiuan; Chen, Jaslyn Ru Ting; Pang, Desmond Wei Cheng; Nguyen, Lam Bang Thanh; Boong, Siew Kheng; Han, Xuemei; Kao, Ya-Chuan; Chua, Yi Heng; Phan-Quang, Gia Chuong; Phang, In Yee; Lee, Hiang Kwee; Abdad, Mohammad Yazid; Tan, Nguan Soon; Ling, Xing Yi published an article.Name: Pentane-1,5-diol The title of the article was Noninvasive and Point-of-Care Surface-Enhanced Raman Scattering (SERS)-Based Breathalyzer for Mass Screening of Coronavirus Disease 2019 (COVID-19) under 5 min. And the article contained the following:

Population-wide surveillance of COVID-19 requires tests to be quick and accurate to minimize community transmissions. The detection of breath volatile organic compounds presents a promising option for COVID-19 surveillance but is currently limited by bulky instrumentation and inflexible anal. protocol. Here, we design a hand-held surface-enhanced Raman scattering-based breathalyzer to identify COVID-19 infected individuals in under 5 min, achieving >95% sensitivity and specificity across 501 participants regardless of their displayed symptoms. Our SERS-based breathalyzer harnesses key variations in vibrational fingerprints arising from interactions between breath metabolites and multiple mol. receptors to establish a robust partial least-squares discriminant anal. model for high throughput classifications. Crucially, spectral regions influencing classification show strong corroboration with reported potential COVID-19 breath biomarkers, both through experiment and in silico. Our strategy strives to spur the development of next-generation, noninvasive human breath diagnostic toolkits tailored for mass screening purposes. The experimental process involved the reaction of Pentane-1,5-diol(cas: 111-29-5).Name: Pentane-1,5-diol

The Article related to poct sers breathalyzer sarscov2 covid19 diagnosis silver nanocube, breath volatile organic compounds (bvocs), breathomics, coronavirus disease 2019 (covid-19), mass screening, surface-enhanced raman scattering (sers) and other aspects.Name: Pentane-1,5-diol

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On November 20, 2020, Pereira-Caro, Gema; Clifford, Michael N.; Polyviou, Thelma; Ludwig, Iziar A.; Alfheeaid, Hani; Moreno-Rojas, Jose Manuel; Garcia, Ada L.; Malkova, Dalia; Crozier, Alan published an article.Application of 621-37-4 The title of the article was Plasma pharmacokinetics of (poly)phenol metabolites and catabolites after ingestion of orange juice by endurance trained men. And the article contained the following:

The health benefits of orange juice (OJ) consumption are attributed in part to the circulating flavanone phase II metabolites and their microbial-derived ring fission phenolic catabolites. The present study investigated these compounds in the bloodstream after acute intake of 500 mL of OJ. Plasma samples obtained at 0, 1, 2, 3, 4, 5, 6, 7, 8 and 24 h after OJ intake were analyzed by HPLC-HR-MS. Eleven flavanone metabolites and 36 phenolic catabolites were identified and quantified in plasma. The main metabolites were hesperetin-3-sulfate with a peak plasma concentration (Cmax) of 80 nmol/L, followed by hesperetin-7-glucuronide (Cmax 24 nmol/L), hesperetin-3-glucuronide (Cmax 18 nmol/L) and naringenin-7-glucuronide (Cmax 21 nmol/L). Among the main phenolic catabolites to increase in plasma after OJ consumption were 3-methoxycinnamic acid-4-sulfate (Cmax 19 nmol/L), 3-hydroxy-3-(3-hydroxy-4-methoxyphenyl)propanoic acid (Cmax 20 nmol/L), 3-(3-hydroxy-4-methoxyphenyl)propanoic acid (Cmax 19 nmol/L), 3-(4-hydroxyphenyl)propanoic acid (Cmax 25 nmol/L), and 3-(phenyl)propanoic acid (Cmax 19 nmol/L), as well as substantial amounts of phenylacetic and hippuric acids. The comprehensive plasma pharmacokinetic profiles that were obtained are of value to the design of future ex vivo cell studies, aimed at elucidating the mechanisms underlying the potential health benefits of OJ consumption. This trial was registered at clinicaltrials.gov as NCT02627547. The experimental process involved the reaction of 3-Hydroxyphenylacetic acid(cas: 621-37-4).Application of 621-37-4

The Article related to polyphenol metabolite catabolite ingestion orange juice plasma pharmacokinetics, 3-hydroxy-3-(phenyl)propanoic acids, absorption, metabolites, microbial catabolites, orange juice (poly)phenols, potential bioactivity and other aspects.Application of 621-37-4

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Alcohol – Wikipedia,
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Cho, Taeheum; Han, Hyo-Sang; Jeong, Junhyuk; Park, Eun-Mi; Shim, Kyu-Sik published an article in 2021, the title of the article was A novel computational approach for the discovery of drug delivery system candidates for COVID-19.Safety of H-Phg(4-OH)-OH And the article contains the following content:

In order to treat Coronavirus Disease 2019 (COVID-19), we predicted and implemented a drug delivery system (DDS) that can provide stable drug delivery through a computational approach including a clustering algorithm and the SchrÖdinger software. Six carrier candidates were derived by the proposed method that could find mols. meeting the predefined conditions using the mol. structure and its functional group positional information. Then, just one compound named glycyrrhizin was selected as a candidate for drug delivery through the SchrÖdinger software. Using glycyrrhizin, nafamostat mesilate (NM), which is known for its efficacy, was converted into micelle nanoparticles (NPs) to improve drug stability and to effectively treat COVID-19. The spherical particle morphol. was confirmed by transmission electron microscopy (TEM), and the particle size and stability of 300-400 nm were evaluated by measuring DLSand the zeta potential. The loading of NM was confirmed to be more than 90% efficient using the UV spectrum. The experimental process involved the reaction of H-Phg(4-OH)-OH(cas: 32462-30-9).Safety of H-Phg(4-OH)-OH

The Article related to discovery drug delivery system covid, cadd, covid-19, clustering, computer-aided drug discovery, docking, drug delivery system, in silico, machine learning, micelle nanoparticles, nafamostat, unsupervised learning and other aspects.Safety of H-Phg(4-OH)-OH

Referemce:
Alcohol – Wikipedia,
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Seguido, Miguel Angel; Tarradas, Rosa Maria; Gonzalez-Ramila, Susana; Garcia-Cordero, Joaquin; Sarria, Beatriz; Bravo-Clemente, Laura; Mateos, Raquel published an article in 2022, the title of the article was Sustained Consumption of a Decaffeinated Green Coffee Nutraceutical Has Limited Effects on Phenolic Metabolism and Bioavailability in Overweight/Obese Subjects.Related Products of 621-37-4 And the article contains the following content:

Knowledge on the bioavailability of coffee (poly)phenols mostly come from single dose postprandial studies. This study aimed at investigating the effects of regularly consuming a green coffee phenolic extract (GCPE) on the bioavailability and metabolism of (poly)phenols. Volunteers with overweight/obesity consumed a decaffeinated GCPE nutraceutical containing 300 mg hydroxycinnamates twice daily for two months. Plasma and urinary pharmacokinetics, and fecal excretion of phenolic metabolites were characterized by LC-MS-QToF at weeks 0 and 8. Fifty-four metabolites were identified in biol. fluids. Regular consumption of the nutraceutical produced certain changes: reduced forms of caffeic, ferulic and coumaric acids in urine or 3-(3′-hydroxypenyl)propanoic, and 3,4-dihydroxybenzoic acids in feces significantly increased (p < 0.05) after 8 wk; in contrast, coumaroylquinic and dihydrocoumaroylquinic acids in urine decreased (p < 0.05) compared to baseline excretion. The sum of intestinal and colonic metabolites increased after sustained consumption of GCPE, without reaching statistical significance, suggesting a small overall effect on (poly)phenols′ bioavailability. The experimental process involved the reaction of 3-Hydroxyphenylacetic acid(cas: 621-37-4).Related Products of 621-37-4

The Article related to green coffee nutraceutical consumption phenolic metabolism bioavailability overweight obesity, bioavailability, biotransformation pathways, green coffee, hydroxycinnamates, microbial catabolites, pharmacokinetics and other aspects.Related Products of 621-37-4

Referemce:
Alcohol – Wikipedia,
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