Tag: 100-200

On June 9, 2022, Jung, Dongjun; Lim, Chaehong; Park, Chansul; Kim, Yeongjun; Kim, Minseong; Lee, Seunghwan; Lee, Hyunjin; Kim, Jeong Hyun; Hyeon, Taeghwan; Kim, Dae-Hyeong published an article.Name: 1-Decanethiol The title of the article was Adaptive Self-Organization of Nanomaterials Enables Strain-Insensitive Resistance of Stretchable Metallic Nanocomposites. And the article contained the following:

Highly conductive and stretchable nanocomposites are promising material candidates for skin electronics. However, the resistance of stretchable metallic nanocomposites highly depends on external strains, often deteriorating the performance of fabricated electronic devices. Here, a material strategy for the highly conductive and stretchable nanocomposites comprising metal nanomaterials of various dimensions and a viscoelastic block-copolymer matrix is presented. The resistance of the nanocomposites can be well retained under skin deformations (<50% strain). It is demonstrated that silver nanomaterials can self-organize inside the viscoelastic media in response to external strain when their surface is conjugated with 1-decanethiol. Distinct self-organization behaviors associated with nanomaterial dimensions and strain conditions are found. Adopting the optimum composition of 0D/1D/2D silver nanomaterials can render the resistance of the nanocomposites insensitive to uniaxial or biaxial strains. As a result, the resistance can be maintained with a variance of < 1% during 1000 stretching cycles under uniaxial and biaxial strains of <50% while a high conductivity of ∼ 31 000 S cm-1 is achieved. The experimental process involved the reaction of 1-Decanethiol(cas: 143-10-2).Name: 1-Decanethiol

The Article related to nanomaterial strain insensitive resistance stretchable metallic nanocomposite, metallic nanocomposites, self-organization of nanomaterials, skin electronics, strain-insensitive resistance, stretchable conductors and other aspects.Name: 1-Decanethiol

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Drouet, Fleur; Noisier, Anais F. M.; Harris, Craig S.; Furkert, Daniel P.; Brimble, Margaret A. published an article in 2014, the title of the article was A Convenient Method for the Asymmetric Synthesis of Fluorinated α-Amino Acids from Alcohols.Related Products of 386704-04-7 And the article contains the following content:

Due to their numerous applications, fluorinated amino acids have recently attracted significant attention. The preparation of fluorine-containing phenylalanines and aliphatic fluorinated amino acids using Mitsunobu-Tsunoda alkylation of a chiral nucleophilic glycine equivalent with readily available alc. substrates is described. The reaction proceeds in high yields and with excellent diastereoselectivity. This method provides an efficient synthetic route to fluorinated amino acids for which asym. approaches are scarce. The experimental process involved the reaction of (6-(Trifluoromethyl)pyridin-3-yl)methanol(cas: 386704-04-7).Related Products of 386704-04-7

The Article related to fluorinated amino acid asym preparation, aliphatic fluorinated amino acid asym preparation, phenylalanine fluorinated asym preparation, mitsunobu tsunoda alkylation chiral glycine nickel complex fluorinated alc and other aspects.Related Products of 386704-04-7

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Fernandez-Jalao, Irene; Balderas, Claudia; Calvo, Maria V.; Fontecha, Javier; Sanchez-Moreno, Concepcion; De Ancos, Begona published an article in 2021, the title of the article was Impact of high-pressure processed onion on colonic metabolism using a dynamic gastrointestinal digestion simulator.Computed Properties of 621-37-4 And the article contains the following content:

Onions are the main dietary source of flavonols that have been associated with important health-promoting properties. Onion treated by high-pressure processing (HPP-treated onion) was subjected to a dynamic gastrointestinal digestion and colon fermentation simulator (DGID-CF) to study the effect on the gut microbiota metabolism in the three colon regions (ascending-AC, transverse-TC, and descending-DC) by means of chronic feeding with 27 g/day for 14 days. HPP-treated onion presented a high content of the flavonols quercetin-3,4-diglucoside and quercetin-4-glucoside, and a large percentage of them reached the AC without change. TC and DC progressively increased the total phenolic metabolites 2.5 times resp. to day 2, mainly 3-hydroxyphenylacetic, 4-hydroxyphenylacetic, 3-(4-hydroxyphenyl)-propionic, and 3,4-dihydroxyphenylpropionic acids. In addition, the chronic feeding increased the beneficial colon bacteria Bifidobacterium spp. and Lactobacillus spp. and the production of total SCFAs (acetic, propionic, and butyric acids) 9 times (AC), 2.2 times (TC), and 4.4 times (DC) resp. to day 1. A multivariate anal. (principal component anal., PCA) showed a clear separation between the three colon regions based on their phenolic composition (precursors and metabolites). These results showed that HPP-treated onion modulated the human gut microbiotas metabolism and the DGID-CF is a good system to study these changes. The experimental process involved the reaction of 3-Hydroxyphenylacetic acid(cas: 621-37-4).Computed Properties of 621-37-4

The Article related to colon metabolism gastrointestine digestion allium, gastrointestinal digestion-colon fermentation model, gut microbiota, high-pressure processing, onion, quercetin glycosides metabolites, short-chain fatty acids and other aspects.Computed Properties of 621-37-4

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Kurmaz, Svetlana V.; Fadeeva, Natalia V.; Ignat’ev, Vladislav M.; Kurmaz, Vladimir A.; Kurochkin, Sergei A.; Emel’yanova, Nina S. published an article in 2020, the title of the article was Structure and state of water in branched N-vinylpyrrolidone copolymers as carriers of a hydrophilic biologically active compound.Synthetic Route of 143-10-2 And the article contains the following content:

Hydrated copolymers of N-vinylpyrrolidone (VP) with triethylene glycol dimethacrylate as a promising platform for biol. active compounds (BAC) were investigated by different phys. chem. methods (dynamic light scattering, IR spectroscopy, thermal gravimetric anal., and differential scanning calorimetry) and the quantum chem. modeling of water coordination by the copolymers in a solution According to the quantum chem. simulation, one to two water mols. can coordinate on one O-atom of the lactam ring of VP units in the copolymer. Besides the usual terminal coordination, the water mol. can form bridges to bind two adjacent C=O groups of the lactam rings of VP units. In addition to the first hydration shell, the formation of a second one is also possible due to the chain addition of water mols., and its structure depends on a mutual orientation of C=O groups. We showed that N,N-dimethylbiguanidine hydrochloride (metformin) as a frontline drug for the treatment of type 2 diabetes mellitus can be associated in aqueous solutions with free and hydrated C=O groups of the lactam rings of VP units in studied copolymers. Based on the characteristics of the H-bonds, we believe that the level of the copolymer hydration does not affect the behavior and biol. activity of this drug, but the binding of metformin with the amphiphilic copolymer will delight in the penetration of a hydrophilic drug across a cell membrane to increase its bioavailability. The experimental process involved the reaction of 1-Decanethiol(cas: 143-10-2).Synthetic Route of 143-10-2

The Article related to branched vinylpyrrolidone copolymer carrier hydrophilic biol active compound structure, n-vinylpyrrolidone, amphiphilic copolymers, branching, drug delivery, hydrogen bond, metformin, quantum chemical modeling and other aspects.Synthetic Route of 143-10-2

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Miguelez, Javier; Miyamura, Hiroyuki; Kobayashi, Shu published an article in 2017, the title of the article was A Polystyrene-Supported Phase-Transfer Catalyst for Asymmetric Michael Addition of Glycine-Derived Imines to α,β-Unsaturated Ketones.Related Products of 32462-30-9 And the article contains the following content:

A 2-oxopyrimidinium salt was immobilized onto a polystyrene-derived polymer to generate a heterogeneous catalyst that effectively promoted the asym. Michael addition of glycine-derived imines to α,β-unsaturated ketones. The reactions proceeded smoothly to afford the desired adducts, (S)-tert-Bu 2-[(diarylmethylidene)amino]-5-oxoalkanoates, in high yields and with high enantioselectivities (up to 92% ee). The polymer catalyst could be recovered and reused at least five times without significant loss of activity or selectivity. The experimental process involved the reaction of H-Phg(4-OH)-OH(cas: 32462-30-9).Related Products of 32462-30-9

The Article related to glycine imine enone polystyrene supported oxopyrimidinium asym michael catalyst, amino oxoalkanoate stereoselective preparation, polystyrene supported oxopyrimidinium salt phase transfer catalyst asym michael and other aspects.Related Products of 32462-30-9

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Urbain, Mathias; Riporto, Florian; Beauquis, Sandrine; Monnier, Virginie; Marty, Jean-Christophe; Galez, Christine; Durand, Christiane; Chevolot, Yann; Le Dantec, Ronan; Mugnier, Yannick published an article in 2021, the title of the article was On the reaction pathways and growth mechanisms of LiNbO3 nanocrystals from the non-aqueous solvothermal alkoxide route.Synthetic Route of 111-29-5 And the article contains the following content:

Phase-pure, highly crystalline sub-50 nm LiNbO3 nanocrystals were prepared from a non-aqueous solvothermal process for 72 h at 230°C and a com. precursor solution of mixed lithium niobium ethoxide in its parent alc. A systematic variation of the reaction medium composition with the addition of different amounts of co-solvent including butanol, 1,3-propanediol, 1,4-butanediol, and 1,5-pentanediol resulted in the formation of nanocrystals of adjustable mean size and shape anisotropy, as demonstrated from XRD measurements and TEM imaging. Colloidal stability of ethanol- and water-based suspensions was evaluated from dynamic light scattering (DLS)/zeta potential studies and correlated with FTIR data. Thanks to the evolution in the nanocrystal size and shape distribution we observed, as well as to the available literature on the alkoxide chem., the reaction pathways and growth mechanisms were finally discussed with a special attention on the monomer formation rate, leading to the nucleation step. The polar, non-perovskite crystalline structure of LiNbO3 was also evidenced to play a major role in the nanocrystal shape anisotropy. The experimental process involved the reaction of Pentane-1,5-diol(cas: 111-29-5).Synthetic Route of 111-29-5

The Article related to lithium niobium oxide nanocrystals solvothermal process, alkoxide precursors, lithium niobate nanocrystals, non-aqueous solvothermal conditions, reaction pathways and growth mechanisms, size and shape control and other aspects.Synthetic Route of 111-29-5

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On October 25, 2021, Rimnacova, Lucie; Moos, Martin; Opekar, Stanislav; Vodrazka, Petr; Pejchal, Vladimir; Mraz, Jaroslav; Simek, Petr published an article.Related Products of 621-37-4 The title of the article was Ethyl chloroformate mediated gas chromatographic-mass spectrometric biomonitoring of acidic biomarkers of occupational exposure and endogenous metabolites in human urine. And the article contained the following:

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. The experimental process involved the reaction of 3-Hydroxyphenylacetic acid(cas: 621-37-4).Related Products of 621-37-4

The Article related to ethyl chloroformate gcms occupational exposure acidic biomarker metabolite urine, biomarker of occupational exposure, endogenous metabolites, ethyl chloroformate mediated derivatization, urine, xenometabolite and other aspects.Related Products of 621-37-4

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On February 10, 2018, Liu, Sha; Jing, Li; Yu, Zhu-Jun; Wu, Chengyong; Zheng, Yongxiang; Zhang, En; Chen, Qiang; Yu, Yamei; Guo, Li; Wu, Yong; Li, Guo-Bo published an article.COA of Formula: C8H9NO3 The title of the article was ((S)-3-Mercapto-2-methylpropanamido)acetic acid derivatives as metallo-β-lactamase inhibitors: Synthesis, kinetic and crystallographic studies. And the article contained the following:

A set of 2-substituted ((S)-3-mercapto-2-methylpropanamido)acetic acid derivatives I [R = Ph, Bn, 4-HO-C6H4, etc.] were synthesized and some of which displayed potent inhibition with high ligand efficiency to the clin. relevant MBL subtypes, Verona Integron-encoded MBL (VIM)-2 and New Delhi MBL (NDM)-1. Kinetic studies revealed that the inhibitors were not strong zinc chelators in solution, and they bound reversibly to VIM-2 but dissociate very slowly. Crystallog. analyses revealed that they inhibited VIM-2 via chelating the active site zinc ions and interacting with catalytically important residues. Further cell- and zebrafish-based assays revealed that the inhibitors slightly increased the susceptibility of E. coli cells expressing VIM-2 to meropenem and they had no apparent toxicity to the viability of HEK293T cells and the zebrafish embryogenesis. The experimental process involved the reaction of H-Phg(4-OH)-OH(cas: 32462-30-9).COA of Formula: C8H9NO3

The Article related to mercapto alkanamido acetic acid preparation, ndm1 beta lactamase inhibitor antibacterial activity sar mol docking, antibacterial resistance, crystallography, inhibitor design, metallo-β-lactamase (mbl), vim-2 and other aspects.COA of Formula: C8H9NO3

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On November 9, 2011, Liu, Jian; Luo, Chuanyun; Smith, Peter A.; Chin, Jodie K.; Page, Malcolm G. P.; Paetzel, Mark; Romesberg, Floyd E. published an article.Name: H-Phg(4-OH)-OH The title of the article was Synthesis and characterization of the arylomycin lipoglycopeptide antibiotics and the crystallographic analysis of their complex with signal peptidase. And the article contained the following:

Glycosylation of natural products, including antibiotics, often plays an important role in determining their phys. properties and their biol. activity, and thus their potential as drug candidates. The arylomycin class of antibiotics inhibits bacterial type I signal peptidase and is comprised of three related series of natural products with a lipopeptide tail attached to a core macrocycle. Previously, we reported the total synthesis of several A series derivatives, which have unmodified core macrocycles, as well as B series derivatives, which have a nitrated macrocycle. We now report the synthesis and biol. evaluation of lipoglycopeptide arylomycin variants whose macrocycles are glycosylated with a deoxy-α-mannose substituent, and also in some cases hydroxylated. The synthesis of the derivatives bearing each possible deoxy-α-mannose enantiomer allowed us to assign the absolute stereochem. of the sugar in the natural product and also to show that while glycosylation does not alter antibacterial activity, it does appear to improve solubility Crystallog. structural studies of a lipoglycopeptide arylomycin bound to its signal peptidase target reveal the mol. interactions that underlie inhibition and also that the mannose is directed away from the binding site into solvent which suggests that other modifications may be made at the same position to further increase solubility and thus reduce protein binding and possibly optimize the pharmacokinetics of the scaffold. The experimental process involved the reaction of H-Phg(4-OH)-OH(cas: 32462-30-9).Name: H-Phg(4-OH)-OH

The Article related to arylomycin lipoglycopeptide antibiotic synthesis antibacterial structure activity solubility, crystal structure lipoglycopeptide signal peptidase complex modeling, tyrosine coupling cyclization glycosylation and other aspects.Name: H-Phg(4-OH)-OH

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On November 16, 2017, Mpampos, Konstantin; Andersson, Thomas published a patent.Application In Synthesis of 2-Methyl-2-propylpropane-1,3-diol The title of the patent was Process for the production of a mixture of 2,2-dialkyl-1,3-propanediols by aldol reaction and subsequent crossed Cannizzaro reaction of formaldehyde with 2-methylpropanal and at least one other 2-alkylalkanal. And the patent contained the following:

The invention is related to a process for the production of mixed 2,2-dialkyl-1,3-propanediols by aldol reaction and subsequent crossed Cannizzaro reaction characterized in, that formaldehyde in presence of a strong base is subjected to aldol reaction and subsequent Cannizzaro reaction with 2-methylpropanal and at least one other 2-alkylalkanal at a molar ratio formaldehyde to 2-methylpropanal and the at least one other 2-alkylalkanal of 2-2.2:1, that 2-methylpropanal and the at least one other 2-alkylalkanal are present in a weight ratio of between 1:99 and 99:1, such as between 60:40 and 95:5, and that the process yields a mixture of 2,2-dimethyl-l,3- propanediol and at least one other 2,2-dialkyl-1,3-propanediol. The invention provides the major advantage of obtaining a ready for use diol mixture in high yield in a single reactor/production plan in the absence of any cross-aldol coupling of the substrate aldehydes, allowing the mixture to be supplied as such thus reducing the number of compounds necessary to store and/or ship by the producer and/or end user and reducing the number of and investments in reactors/production plants. For example, a reactor was charged with the specified amount of water, formaldehyde and 2-ethylhexanal and the mixture was under stirring adjusted 20° over a period of 10 min, after the 10 min, charging of sodium hydroxide commenced followed by charging of the 2-methylpropanal with a minute delay, the total charging time was 30 min, the temperature was set to increase from 20° to 30° during the same period, the temperature was after completed charging of reactants increased to 60° over a period of 15 min followed by stirring at the temperature for a further 30 min, the resulting reaction mixture was, after completed reaction, cooled to < 30° and pH was adjusted by addition of formic acid, the reaction mixture was then recovered, purified and analyzed. Following the above procedure a reaction solution containing 11.2 parts by weight of 2-ethylhexanal, 96.2 parts by weight of 2-methylpropanal, 187.6 parts by weight of 48% aqueous formaldehyde, 125.2 parts by weight of 50% aqueous sodium hydroxide and 670.0 parts by weight of water was subjected to aldol reaction and subsequent Cannizzaro reaction. 1084.5 parts by weight of a reaction mixture were, after completed reactions, isolated and the pH was adjusted to 5.5 by addition of 11.2 parts by weight of formic acid, the synthesis resulted, after recovery and purification, in a 2,2-dimethyl-1,3- propanediol yield of 97.2% and a 2-butyl-2-ethyl-1,3-propanediol yield of 96.6%, the amount of unreacted aldehydes was determined to be < 0.1% of 2-methylpropanal, < 0.1% of 2-ethylhexanal and 1.4% of formaldehyde. The experimental process involved the reaction of 2-Methyl-2-propylpropane-1,3-diol(cas: 78-26-2).Application In Synthesis of 2-Methyl-2-propylpropane-1,3-diol

The Article related to dialkylpropanediol production methylpropanal alkylpropanal aldol addition cannizzaro reaction, dimethylpropanediol butylethylpropanediol preparation methylpropanal ethylhexanal formaldehyde sodium hydroxide and other aspects.Application In Synthesis of 2-Methyl-2-propylpropane-1,3-diol

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