Tag: 100-200

On April 24, 2017, Nesterov, Dmytro S.; Alegria, Elisabete C. B. A.; Jezierska, Julia published an article.Formula: C8H19NO2 The title of the article was A new member of CuII8 family: Synthesis, structure and magnetic properties of an octanuclear copper complex with N-tert-butyldiethanolamine. And the article contained the following:

A highly-nuclear copper complex [CuII8O(tBuDea)5(HtBuDea)Cl2][CuICl2]·2H2O (1) has been prepared in a one-pot reaction of copper chloride with N-tert-butyldiethanolamine in methanol in the open air. The structure of the complex was established by single-crystal x-ray anal. The octanuclear close-packed core of 1 belongs to the {M8(μ3-X)6(μ-X)7} mol. structure type. The ESI-MS spectroscopy confirmed the stability of the whole core in methanol solution From the ESI-MS and magnetic data the divalent oxidation state of all eight coppers in the Cu8 core is proposed. Electrochem. studies were undertaken to confirm the overall CuI/CuII composition of the complex. Thermogravimetric behavior was studied and disclosed that the complex 1 is stable until 150°. The magnetic investigations revealed a dominant antiferromagnetic coupling between copper centers within the octanuclear cation. The experimental process involved the reaction of 2,2′-(tert-Butylazanediyl)diethanol(cas: 2160-93-2).Formula: C8H19NO2

The Article related to copper tertbutyldiethanolamine octanuclear complex preparation crystal structure, magnetic property electrochem copper tertbutyldiethanolamine octanuclear complex, Inorganic Chemicals and Reactions: Coordination Compounds and other aspects.Formula: C8H19NO2

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On May 28, 2010, Mereacre, Valeriu; Akhtar, Muhammad Nadeem; Lan, Yanhua; Ako, Ayuk M.; Clerac, Rodolphe; Anson, Christopher E.; Powell, Annie K. published an article.Application In Synthesis of 2,2′-(tert-Butylazanediyl)diethanol The title of the article was Structures and magnetic properties of MnIII4LnIII4 aggregates with a “square-in-square” topology. And the article contained the following:

The structures and magnetic properties of a family of new octanuclear heterometallic 3d-4f complexes [MnIII4LnIII4(μ3-OH)4(μ2,η1-X)4(O2CBut)8(t-bdea)4]·solv, where X = N3-, Ln = Y (1), Eu (2), Gd (3), Tb (4), Dy (5), Ho (6); X = OCN-, Ln = Dy (7); X = NO3-, Ln = Gd (8), Tb (9), Dy (10), Ho (11), Er (12); solv = MeCN or toluene, are reported. The metal topol. in the aggregates can be described as consisting of a Ln4-square inscribed in a Mn4-square. Complexes 1-7 are prepared by the reactions of t-butyldiethanolamine (t-bdeaH2) with a preformed hexanuclear manganese pivalate complex [Mn6], the resp. lanthanide salt and either NaN3 or NaNCO, while 8-12 are obtained from the direct reaction of Mn(OAc)2, Ln(NO3)3·xH2O and t-butyldiethanolamine. The magnetic properties of all the complexes were investigated using variable temperature magnetic susceptibility and magnetization measurements. Similar magnetic behavior was observed for compounds containing the same lanthanide, indicating that changing the bridging ligand X does not have a significant effect on the magnetic behavior. The TbIII and DyIII compounds 4, 5, 7, 9 and 10 all show frequency-dependent ac susceptibilities indicative of a slow relaxation of magnetization and are therefore considered as Single-Mol. Magnets. The experimental process involved the reaction of 2,2′-(tert-Butylazanediyl)diethanol(cas: 2160-93-2).Application In Synthesis of 2,2′-(tert-Butylazanediyl)diethanol

The Article related to manganese lanthanide diethanolamine pivalate octanuclear preparation crystal structure, magnetic property manganese lanthanide diethanolamine pivalate octanuclear, Inorganic Chemicals and Reactions: Coordination Compounds and other aspects.Application In Synthesis of 2,2′-(tert-Butylazanediyl)diethanol

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Teng, Xingxing; Wang, Yuanyuan; Gu, Jinhua; Shi, Peiqi; Shen, Zhibin; Ye, Lianbao published an article in 2018, the title of the article was Antifungal agents: design, synthesis, antifungal activity and molecular docking of phloroglucinol derivatives.Recommanded Product: 55743-13-0 And the article contains the following content:

Pseudoaspidinol is a phloroglucinol derivative with Antifungal activity and is a major active component of Dryopteris fragrans. In our previous work, we studied the total synthesis of pseudoaspidinol belonging to a phloroglucinol derivative and investigated its antifungal activity as well as its intermediates. However, the results showed these compounds have low antifungal activity. In this study, in order to increase antifungal activities of phloroglucinol derivatives, we introduced antifungal pharmacophore allylamine into the methylphloroglucinol. Meanwhile, we remained C1-C4 acyl group in C-6 position of methylphloroglucinol using pseudoaspidinol as the lead compound to obtain novel phloroglucinol derivatives, synthesized 17 compounds, and evaluated antifungal activities on Trichophyton rubrum and Trichophyton mentagrophytes in vitro. Mol. docking verified their ability to combine the protein binding site. The results indicated that most of the compounds had strong antifungal activity, in which compound 17 were found to be the most active on Trichophyton rubrum with Min. Inhibitory Concentration (MIC) of 3.05 μg/mL and of Trichophyton mentagrophytes with MIC of 5.13 μg/mL. Docking results showed that compounds had a nice combination with the protein binding site. These researches could lay the foundation for developing antifungal agents of clin. value. The experimental process involved the reaction of 2,4,6-Trihydroxy-3-methylbenzaldehyde(cas: 55743-13-0).Recommanded Product: 55743-13-0

The Article related to trichophyton phloroglucinol derivative antifungal mol docking, allylamine, antifungal activity, molecular docking, phloroglucinol derivatives, squalene epoxidase, Pharmacology: Effects Of Antimicrobials and Parasiticides and other aspects.Recommanded Product: 55743-13-0

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Nesterov, Dmytro S.; Jezierska, Julia; Nesterova, Oksana V.; Pombeiro, Armando J. L.; Ozarowski, Andrew published an article in 2014, the title of the article was An unprecedented octanuclear copper core with C3i symmetry and a paramagnetic ground state.Electric Literature of 2160-93-2 And the article contains the following content:

A complex of copper, possessing an octanuclear structure of high symmetry, was prepared by a spontaneous self-assembly reaction of Cu(BF4)2 with N-tert-butyldiethanolamine and reveals a paramagnetic ground state. The experimental process involved the reaction of 2,2′-(tert-Butylazanediyl)diethanol(cas: 2160-93-2).Electric Literature of 2160-93-2

The Article related to copper tertbutyldiethanolamine octanuclear complex preparation esr ferromagnetic exchange, crystal structure copper tertbutyldiethanolamine octanuclear complex, Inorganic Chemicals and Reactions: Coordination Compounds and other aspects.Electric Literature of 2160-93-2

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On July 27, 2020, Kato, Mikiya; Imazu, Takuya published a patent.Electric Literature of 386704-04-7 The title of the patent was Preparation of indazole derivatives as RORγt inhibitors. And the patent contained the following:

Provided are compounds I [R1 = H, halo, alkyl, etc.; R2 = H, halo or alkyl; R3a, R3b = independently H, halo, alkyl, etc.; R4a, R4b = independently H, halo or alkyl; R5 = CO2H or CO2R21; R21 = alkyl or alkenyl; R6a, R6b = independently H or alkyl; R7 = H, halo, cyano, etc.; R8 = H, halo, cyano, etc.; R9 = halo, alkyl, alkoxy, etc.; R10 = halo; Xa = single bond, cycloalkylene or alkynylene; n = 1 or 2; p = 0-2; q = 0-3; ring A = aryl, heteroaryl, cycloalkyl, etc.; or their pharmaceutically acceptable sats]. Thus, compound II was prepared via DIAD-mediated reaction of 7-chloro-1H-indazole-4-carboxylic acid Me ester with (trans-4-(trifluoromethyl)cyclohexyl)methanol, hydrolysis, amidation with 2-(trans-4-(aminomethyl)cyclohexyl)acetic acid Me ester·HCl in the presence of HATU, and hydrolysis. In RORγt (retinoic acid receptor-related orphan receptor-γt) inhibition assay, the invention compounds, e.g., II, showed IC50 value of <300 nM. Compounds I are claimed useful for the treatment of autoimmune diseases or allergic diseases. The experimental process involved the reaction of (6-(Trifluoromethyl)pyridin-3-yl)methanol(cas: 386704-04-7).Electric Literature of 386704-04-7

The Article related to indazole preparation ror gamma t inhibitor, autoimmune allergic disease treatment indazole ror gamma t inhibition, Heterocyclic Compounds (More Than One Hetero Atom): Pyrazoles and other aspects.Electric Literature of 386704-04-7

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On December 31, 2021, Yamauchi, Takafumi; Ochi, Daisuke; Matsukawa, Naomi; Saigusa, Daisuke; Ishikuro, Mami; Obara, Taku; Tsunemoto, Yoshiki; Kumatani, Satsuki; Yamashita, Riu; Tanabe, Osamu; Minegishi, Naoko; Koshiba, Seizo; Metoki, Hirohito; Kuriyama, Shinichi; Yaegashi, Nobuo; Yamamoto, Masayuki; Nagasaki, Masao; Hiyama, Satoshi; Sugawara, Junichi published an article.Safety of 3-Hydroxyphenylacetic acid The title of the article was Machine learning approaches to predict gestational age in normal and complicated pregnancies via urinary metabolomics analysis. And the article contained the following:

The elucidation of dynamic metabolomic changes during gestation is particularly important for the development of methods to evaluate pregnancy status or achieve earlier detection of pregnancy-related complications. Some studies have constructed models to evaluate pregnancy status and predict gestational age using omics data from blood biospecimens; however, less invasive methods are desired. Here we propose a model to predict gestational age, using urinary metabolite information. In our prospective cohort study, we collected 2741 urine samples from 187 healthy pregnant women, 23 patients with hypertensive disorders of pregnancy, and 14 patients with spontaneous preterm birth. Using gas chromatog.-tandem mass spectrometry, we identified 184 urinary metabolites that showed dynamic systematic changes in healthy pregnant women according to gestational age. A model to predict gestational age during normal pregnancy progression was constructed; the correlation coefficient between actual and predicted weeks of gestation was 0.86. The predicted gestational ages of cases with hypertensive disorders of pregnancy exhibited significant progression, compared with actual gestational ages. This is the first study to predict gestational age in normal and complicated pregnancies by using urinary metabolite information. Minimally invasive urinary metabolomics might facilitate changes in the prediction of gestational age in various clin. settings. The experimental process involved the reaction of 3-Hydroxyphenylacetic acid(cas: 621-37-4).Safety of 3-Hydroxyphenylacetic acid

The Article related to pregnancy gestational age urinary metabolomic analysis machine learning approach, Biochemical Methods: Other (Not Covered At Other Subsections) and other aspects.Safety of 3-Hydroxyphenylacetic acid

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On February 24, 2022, Murray, Martin Wayne; Irwin, Mark Robert; Whiting, Andrew; Morelli, Melinda published a patent.Product Details of 62640-03-3 The title of the patent was Vinyl disulfone compound, polymer obtainable by copolymerizing such compound, aqueous polymer dispersion and coating composition comprising such polymer. And the patent contained the following:

The invention relates to a vinyl disulfone compound of general formula CH3-SO2-C(=CH2)-SO2-N(R)-X-Y, wherein R is an alkyl radical comprising in the range of from 1 to 10 carbon atoms; X is an organic moiety comprising in the range of from 1 to 16 carbon atoms; and Y is a vinyl-functional polymerizable group selected from the group consisting of an acryloyl group, a methacryloyl group, a vinyl ester group, a vinyl ether group, a styrene group, an acrylamide group, and a methacrylamide group. The invention further relates to a polymer obtainable by copolymerizing a monomer mixture comprising such vinyl disulfone compound and further ethylenically unsaturated monomers, to an aqueous polymer dispersion or coating composition comprising polymer particles comprising such polymer, and to a coated substrate. The experimental process involved the reaction of 2-(Methylamino)ethan-1-ol hydrochloride(cas: 62640-03-3).Product Details of 62640-03-3

The Article related to vinyl disulfone acrylate styrene core shell copolymer dispersion coating, Coatings, Inks, and Related Products: Other Coating Materials and other aspects.Product Details of 62640-03-3

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On April 6, 2006, Eagan, Robert Lee; Williams, Kevin Alan; Cheek, Allen Morgan published a patent.Related Products of 78-26-2 The title of the patent was Modified chlorinated carboxylated polyolefins and their use as adhesion promoters. And the patent contained the following:

Solvent- and water-based primer compositions include at least one chlorinated carboxylated polyolefin that has been modified with one or more polyfunctional alcs. The chlorinated carboxylated polyolefins are obtained by the reaction of polyolefins with at least one of unsaturated carboxylic esters, unsaturated carboxylic acids, unsaturated carboxylic anhydrides, acrylic monomers, and mixtures thereof then chlorinated. The chlorinated carboxylated polyolefins are then further modified by reaction with one or more polyfunctional alcs. These polyfunctional alc.-modified chlorinated carboxylated polyolefins may also contain pendant carboxyl groups, which have the propensity to form hydrophilic salts with amines or inorganic bases, thereby rendering the polyfunctional alc.-modified chlorinated carboxylated polyolefins water-dispersible. These primer compositions are useful for significantly improving the adhesion of paints, adhesives, and inks to various plastic and metal substrates. The experimental process involved the reaction of 2-Methyl-2-propylpropane-1,3-diol(cas: 78-26-2).Related Products of 78-26-2

The Article related to polyfunctional alc modified chlorinated carboxylated polyolefin primer, Coatings, Inks, and Related Products: Other Coating Materials and other aspects.Related Products of 78-26-2

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Gfeller, David; Michielin, Olivier; Zoete, Vincent published an article in 2012, the title of the article was Expanding molecular modeling and design tools to non-natural sidechains.Safety of H-Phg(4-OH)-OH And the article contains the following content:

Protein-protein interactions encode the wiring diagram of cellular signaling pathways and their deregulations underlie a variety of diseases, such as cancer. Inhibiting protein-protein interactions with peptide derivatives is a promising way to develop new biol. and therapeutic tools. Here, the authors develop a general framework to computationally handle hundreds of non-natural amino acid sidechains and predict the effect of inserting them into peptides or proteins. The authors first generate all structural files (pdb and mol2), as well as parameters and topologies for standard mol. mechanics software (CHARMM and Gromacs). Accurate predictions of rotamer probabilities are provided using a novel combined knowledge and physics based strategy. Non-natural sidechains are useful to increase peptide ligand binding affinity. The authors’ results obtained on non-natural mutants of a BCL9 peptide targeting beta-catenin show very good correlation between predicted and exptl. binding free-energies, indicating that such predictions can be used to design new inhibitors. Data generated as well as PyMOL and UCSF Chimera plug-ins for user-friendly visualization of non-natural sidechains, are all available at http://www.swisssidechain.ch. The authors’ results enable researchers to rapidly and efficiently work with hundreds of non-natural sidechains. © 2012 Wiley Periodicals, Inc. 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 mol model design nonnatural side chain protein peptide interaction, Biochemical Methods: Other (Not Covered At Other Subsections) and other aspects.Safety of H-Phg(4-OH)-OH

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On January 15, 2021, Duran-Acevedo, Cristhian Manuel; Caceres-Tarazona, Juan Martin published an article.Quality Control of 1-Decanethiol The title of the article was Low-cost desorption unit coupled with a gold nanoparticles gas sensors array for the analysis of volatile organic compounds emitted from the exhaled breath (gastric cancer and control samples). And the article contained the following:

This paper describes the development and validation of a low-cost desorption unit (DU) equipment for the desorption of pre-concentrated volatile compounds in adsorption tubes ORBO-420 Tenax. The system initially heats the tubes to a temperature of 250C degrees, releasing the trapped VOCs and then drags them by compressed nitrogen flow to a gold nanoparticles gas sensor array. In each of the exptl. tests, the equipment was able to ensure the same desorption conditions in the set of measurements carried out, preventing the sample from being contaminated by external agents or from being diluted during extraction On the other hand, good repetitiveness and selectivity were observed in the sensors responses. To validate the functioning of the equipment, a set of previously acquired samples of exhaled breath from patients confirmed with gastric cancer and control patients (i.e, with gastritis and ulcer) were analyzed. The results were compared with a previous study and it was shown that the desorption unit was able to extract the volatile compounds emitted from exhaled breath and improving the classification. The samples were analyzed through data processing techniques such as: Principal Component Anal. (PCA), Discriminant Function Anal. (DFA), Probabilistic Neural Network (PNN) and Supporting Vector Machines (SVM), for the anal. and the classification of the data obtained, where 98.31% of the total variance was reached through the PCA anal. and 100% success rate was obtained in the classification by using SVM. The experimental process involved the reaction of 1-Decanethiol(cas: 143-10-2).Quality Control of 1-Decanethiol

The Article related to gold nanoparticle gas sensor du volatile organic compound breath, Biochemical Methods: Other (Not Covered At Other Subsections) and other aspects.Quality Control of 1-Decanethiol

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