Month: November 2022

On November 19, 1990, Hashimoto, Kimiko; Horikawa, Manabu; Shirahama, Haruhisa published an article.Recommanded Product: Isochroman-3-ol The title of the article was Simple analogs of acromelic acid, which are highly active agonists of kainate type neuroexcitant. And the article contained the following:

The highly stereoselective synthesis of acromelic acid analogs I (R = H, Me) was achieved. The new kainoid I (R = Me) was the strongest neuroexcitant among the kainoids known so far. The experimental process involved the reaction of Isochroman-3-ol(cas: 42900-89-0).Recommanded Product: Isochroman-3-ol

The Article related to neurotransmitter agonist acromelic acid analog, kainate neuroexitant carboxymethylhydroxyphenylproline, proline hydroxyphenyl carboxymethyl kainate neuroexitant, Amino Acids, Peptides, and Proteins: Amino Acids and other aspects.Recommanded Product: Isochroman-3-ol

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Alcohol – Wikipedia,
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On May 31, 2020, Thekkangil, Aswani; Suchithra, T. V. published an article.Quality Control of 2,4-Di-tert-butylphenol The title of the article was Antidermatophytic lead compounds from Streptomycetes albidoflavus STV1572a against Tinea infections by Tricophyton mentagrophytes. And the article contained the following:

Dermatophytic infection is a psychol. burden due to its inefficacy in prolonged effectiveness during its course of treatment. The present study reports a novel antidermatophytic property from actinomycetes of wetlands soil. Total of 37 Streptomyces isolates were screened for antidermatophytic activity against Trichophyton mentagrophytes. The best isolate with 100% novel activity, was characterized and designated as Streptomyces albidoflavus STV1572a. Antidermatophytic compounds extracted from the mentioned strain were partially purified by chromatog. techniques. Further, it was characterized using UV-Vis spectroscopy, FTIR spectroscopy, and GC-MS anal. Compound identified were, Phenol 2, 4-bis (1, 1-dimethylethyl), 9-octadecene (E), E-14- Hexadecenal, e-15- Heptadecenal, 1- Heneicosanol, Hypophosphonousdichloride bis (1, 1-dimethylethyl) and Heptadecyl trifluoroacetate. To sum up, this study illustrates an antidermatophytic lead compounds that pave its way for further purification and characterization of these compounds for their optimum utilization for antimycotic purposes. The experimental process involved the reaction of 2,4-Di-tert-butylphenol(cas: 96-76-4).Quality Control of 2,4-Di-tert-butylphenol

The Article related to streptomycetes tricophyton tinea antidermatophytics, antidermatophytic activity, antimycotic compound, streptomyces sp., trichophyton mentagrophytes, wetland soil, Microbial, Algal, and Fungal Biochemistry: Other and other aspects.Quality Control of 2,4-Di-tert-butylphenol

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Alcohol – Wikipedia,
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On September 10, 2020, Nakamura, Sho; Sayama, Misa; Uwamizu, Akiharu; Jung, Sejin; Ikubo, Masaya; Otani, Yuko; Kano, Kuniyuki; Omi, Jumpei; Inoue, Asuka; Aoki, Junken; Ohwada, Tomohiko published an article.Name: Pentane-1,5-diol The title of the article was Non-naturally Occurring Regio Isomer of Lysophosphatidylserine Exhibits Potent Agonistic Activity toward G Protein-Coupled Receptors. And the article contained the following:

Lysophosphatidylserine (LysoPS), an endogenous ligand of G protein-coupled receptors, consists of L-serine, glycerol, and fatty acid moieties connected by phosphodiester and ester linkages, resp. An ester linkage of phosphatidylserine can be hydrolyzed at the 1-position or at the 2-position to give 2-acyl lysophospholipid or 1-acyl lysophospholipid, resp. 2-Acyl lysophospholipid is in nonenzymic equilibrium with 1-acyl lysophospholipid in vivo. On the other hand, 3-acyl lysophospholipid is not found, at least in mammals, raising the question of whether the reason for this might be that the 3-acyl isomer lacks the biol. activities of the other isomers. Here, to test this idea, we designed and synthesized a series of new 3-acyl lysophospholipids. Structure-activity relationship studies of more than 100 “glycol surrogate” derivatives led to the identification of potent and selective agonists for LysoPS receptors GPR34 and P2Y10. Thus, the non-natural 3-acyl compounds are indeed active and appear to be biol. orthogonal with respect to the physiol. relevant 1- and 2-acyl lysophospholipids. The experimental process involved the reaction of Pentane-1,5-diol(cas: 111-29-5).Name: Pentane-1,5-diol

The Article related to structure activity agonist lysops receptor lysophospholipid phosphatidylserine glycol surrogate, human calcium mobilization agonist amino acid lysophospholipid glycerol, Amino Acids, Peptides, and Proteins: Amino Acids and other aspects.Name: Pentane-1,5-diol

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On September 18, 1997, Leung, Hon-Wing; Ballantyne, Bryan published an article.Related Products of 2160-93-2 The title of the article was Evaluation of the genotoxic potential of alkylalkanolamines. And the article contained the following:

Three alkylalkanolamines, N,N-dimethylethanolamine, N-methyldiethanolamine, and tert-butyldiethanolamine, were evaluated for potential genotoxic activity using the Salmonella/microsome reverse gene mutation test, the CHO/HGPRT forward gene mutation test, a sister chromatid exchange test in cultured CHO cells, and an in vivo peripheral blood micronucleus test in Swiss-Webster mice. None of the three alkylalkanolamines produced any significant or dose-related increases in the frequencies of mutations, sister chromatid exchanges or micronuclei. These results indicate that N,N-dimethylethanolamine, N-methyldiethanolamine, and tert-butyldiethanolamine are not genotoxic in the tests conducted. The experimental process involved the reaction of 2,2′-(tert-Butylazanediyl)diethanol(cas: 2160-93-2).Related Products of 2160-93-2

The Article related to genotoxic potential alkylalkanolamine, Toxicology: Carcinogens, Mutagens, and Teratogens and other aspects.Related Products of 2160-93-2

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Alcohol – Wikipedia,
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On June 16, 2020, Bhattacharya, Soumya; Yothers, Mitchell P.; Huang, Liangliang; Bumm, Lloyd A. published an article.Quality Control of 1-Decanethiol The title of the article was Interaction of the (2√3 x 3)rect. Adsorption-Site Basis and Alkyl-Chain Close Packing in Alkanethiol Self-Assembled Monolayers on Au(111): A Molecular Dynamics Study of Alkyl-Chain Conformation. And the article contained the following:

We show that the adsorption site basis of the (2√3 x 3)rect. phase of n-alkanethiol self-assembled monolayers plays a key role in determining the mol. conformation of the close-packed alkyl chains. Ten proposed reconstructed Au-S interfaces are used to explore the minimized energy alkyl-chain packing of n-decanethiol mols. using mol. dynamics with the all-atom description. In this comparative study, all models have the same alkyl-chain surface d. of four mols. per unit cell; thus, differences are due to the headgroup spacing within the 4-mol. basis as opposed to the average surface d. We demonstrate for the first time the 4-mol.-basis twist structure driven by the packing of alkanethiol mols. in a large simulation box (100 mols., 25 unit cells) using mol. dynamics. Our results validate the prediction put forward by Mar and Klein that to achieve the 4-mol.-basis twist symmetry observed by the experiment, the headgroups must deviate from the high-symmetry (√3 x √3)R30° sites. The key structural parameters: tilt, twist, and end-group height, as well as their spatial order, are compared with exptl. results, which we show is a highly sensitive approach that can be used to vet proposed Au-S interfacial models. The experimental process involved the reaction of 1-Decanethiol(cas: 143-10-2).Quality Control of 1-Decanethiol

The Article related to alkanethiol self assembly monolayer gold, Surface Chemistry and Colloids: Solid-Gas Systems and other aspects.Quality Control of 1-Decanethiol

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On October 31, 2002, Kleber, Marcus; Blaszkewicz, Meinolf; Lucas, Stephanie; Bolt, Hermann M.; Foellmann, Wolfram published an article.SDS of cas: 4719-04-4 The title of the article was Mutagenic effects of cutting fluids and components in the Salmonella typhimurium mutagenicity assay. And the article contained the following:

Emulsions of water-soluble cutting fluids (wsCF) are used in large quantities in the metal industry. In order to reduce the costs for use and disposal of these fluids, new technologies are being introduced. Minimist Lubricant Supply (MLS) uses only minimal amounts of cutting fluids. In contrast to conventional wsCF, which are complex multicompound mixtures, MLS cutting fluids are composed of one or two components only, like fatty alcs. and fatty acid esters. The aim of the study was to identify and compare the mutagenic potential of these cutting fluids as a first indicator of a possible hazard of systemic effects after inhalation or dermal absorption of the fluids at the workplace. The Salmonella typhimurium assay (Ames assay) was used as a screening method to detect mutagenic effects of cutting fluids. Conventional wsCF and MLS cutting fluids were tested in the strains TA 98, TA 100, TA 102 and TA 104, in the presence and absence of an external metabolizing enzyme system (rat liver S9-mix), using a preincubation (20 min) test protocol. For MLS fluids, no mutagenicity was found in a concentration range between 1 and 10 mg/plate in the Ames assay. Among five tested conventional wsCF, two were mutagenic in the Ames assay at concentration ranges between 2.5 and 15 mg/plate. In cooperation with the manufacturer, 18 defined components of cutting fluids were tested sep. The results revealed that formaldehyde generators, derivatives of oxazolidine and hexahydrotriazine used as biocides for preservation of the fluids, were mutagenic. Four components were nonmutagenic but cytotoxic, whereas the remaining components displayed no bacterial mutagenicity. The present results show the potential hazard of biocides for workers handling these fluids. An exposure via inhalation and/or dermal absorption could cause an addnl. risk due to mutagenic ingredients. Under aspects of workers’ safety, a further discussion about the use of specific components in cutting fluids is recommended. The experimental process involved the reaction of 2,2′,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol(cas: 4719-04-4).SDS of cas: 4719-04-4

The Article related to mutation mutagen cutting fluid salmonella, Toxicology: Carcinogens, Mutagens, and Teratogens and other aspects.SDS of cas: 4719-04-4

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Alcohol – Wikipedia,
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On April 30, 2007, Serafimova, R.; Todorov, M.; Pavlov, T.; Kotov, S.; Jacob, E.; Aptula, A.; Mekenyan, O. published an article.Recommanded Product: 4719-04-4 The title of the article was Identification of the Structural Requirements for Mutagenicity, by Incorporating Molecular Flexibility and Metabolic Activation of Chemicals. II. General Ames Mutagenicity Model. And the article contained the following:

The tissue metabolic simulator (TIMES) modeling approach is a hybrid expert system that couples a metabolic simulator together with structure toxicity rules, underpinned by structural alerts, to predict interaction of chems. or their metabolites with target macromols. Some of the structural alerts representing the reactivity pattern-causing effect could interact directly with the target whereas others necessitated a combination with two- or three-dimensional quant. structure-activity relationship models describing the firing of the alerts from the rest of the mols. Recently, TIMES has been used to model bacterial mutagenicity (O. Mekenyan, O., et al.,2004). The original model was derived for a single tester strain, Salmonella typhimurium (TA100), using the Ames test by the National Toxicol. Program (NTP). The model correctly identified 82% of the primary acting mutagens, 94% of the nonmutagens, and 77% of the metabolically activated chems. in a training set. The identified high correlation between activities across different strains changed the initial strategic direction to look at the other strains in the next modeling developments. In this respect, the focus of the present work was to build a general mutagenicity model predicting mutagenicity with respect to any of the Ames tester strains. The use of all reactivity alerts in the model was justified by their interaction mechanisms with DNA, found in the literature. The alerts identified for the current model were analyzed by comparison with other established alerts derived from human experts. In the new model, the original NTP training set with 1341 structures was expanded by 1626 proprietary chems. provided by BASF AG. Eventually, the training set consisted of 435 chems., which are mutagenic as parents, 397 chems. that are mutagenic after S9 metabolic activation, and 2012 nonmutagenic chems. The general mutagenicity model was found to have 82% sensitivity, 89% specificity, and 88% concordance for training set chems. The model applicability domain was introduced accounting for similarity (structural, mechanistic, etc.) between predicted chems. and training set chems. for which the model performs correctly. The experimental process involved the reaction of 2,2′,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol(cas: 4719-04-4).Recommanded Product: 4719-04-4

The Article related to mutagenicity mol flexibility qsar model mutagen, Toxicology: Carcinogens, Mutagens, and Teratogens and other aspects.Recommanded Product: 4719-04-4

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On August 31, 2007, Serafimova, R.; Todorov, M.; Pavlov, T.; Kotov, S.; Jacob, E.; Aptula, A.; Mekenyan, O. published an article.COA of Formula: C9H21N3O3 The title of the article was Identification of the Structural Requirements for Mutagenicity, by Incorporating Molecular Flexibility and Metabolic Activation of Chemicals. II. General Ames Mutagenicity Model. [Erratum to document cited in CA146:516278]. And the article contained the following:

On page 673, in the conclusion section, the text, “As a comparative exercise, the alerts used in the present work were compared with three alert lists of Ashby, Kazius, and Benigni,” should read: “As a comparative exercise, the alerts used in the present work were compared with alert lists of Ashby and Kazius, as well as the lists reported by Benigni in his review.”. The experimental process involved the reaction of 2,2′,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol(cas: 4719-04-4).COA of Formula: C9H21N3O3

The Article related to erratum mutagenicity mol flexibility qsar model mutagen, Toxicology: Carcinogens, Mutagens, and Teratogens and other aspects.COA of Formula: C9H21N3O3

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On November 11, 2021, Brown, Sarah; Sayler, Jeffrey D.; Sibener, S. J. published an article.Category: alcohols-buliding-blocks The title of the article was Influence of Structural Dynamics on the Kinetics of Atomic Hydrogen Reactivity with Low-Temperature Alkanethiolate Self-Assembled Monolayers. And the article contained the following:

This study examines the impact of surface temperature on alkanethiolate self-assembled monolayer (SAM) reactivity with at. hydrogen (H) as well as how the combined effects of temperature and alkanethiol chain length alter the reaction outcome. This is achieved using ultrahigh vacuum scanning tunneling microscopy (UHV-STM) to monitor the spatiotemporal evolution of the monolayer throughout the reaction. We find that with decreasing temperature, the reaction rate of alkanethiol SAMs with at. H decreases monotonically. Furthermore, the kinetic profile of the low-temperature reaction differs from that at room temperature, indicating structural and dynamical fluctuations within the monolayer that influence reactivity. Chain length is also seen to significantly affect reactivity at reduced substrate temperature, with longer alkanethiols reacting more slowly than shorter ones. Finally, we observe a unique surface rearrangement of the SAM upon exposure to at. H, including changes in the organization of close-packed thiol domains and the evolution of gold adatom islands not observed at elevated temperatures Overall, this work provides both quant. and nanoscopic insight into how substrate temperature influences the structural dynamics of thiolate monolayers and how these fluctuations influence chem. reactivity. The experimental process involved the reaction of 1-Decanethiol(cas: 143-10-2).Category: alcohols-buliding-blocks

The Article related to atomic hydrogen thiol self assembly monolayer reactivity, Surface Chemistry and Colloids: Solid-Gas Systems and other aspects.Category: alcohols-buliding-blocks

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On June 30, 2020, Truyens, Anne-Julie; Vekeman, Jelle; Tielens, Frederik published an article.Synthetic Route of 143-10-2 The title of the article was A subtle balance between interchain interactions and surface reconstruction at the origin of the alkylthiol/Au(111) self-assembled monolayer geometry. And the article contained the following:

In this paper we present a DFT investigation on the structure and energetics of (√3 × 2√3)R30° high coverage SAMs of n-alkanethiols up to twelve carbon atoms on a clean Au(111) surface. The surface was found to be more reconstructed for longer chains, although a surface reconstruction plateau was reached for decanethiol SAMs. The geometry was suggested to be dictated by steric effects and van der Waals interactions between the adsorbates resulting in a specific adsorption configuration. Furthermore, the increasing adsorption energy per thiol mol. is due to the increasing van der Waals forces between the adsorbates. In conclusion a more stable monolayer was obtained with increasing adsorbate chain length. In other words a subtle balance between interchain interactions and surface reconstruction is at the origin of the alkylthiol/Au(111) self-assembled monolayer geometry. The experimental process involved the reaction of 1-Decanethiol(cas: 143-10-2).Synthetic Route of 143-10-2

The Article related to surface reconstruction self assembly monolayer gold thiol, Surface Chemistry and Colloids: Solid-Gas Systems and other aspects.Synthetic Route of 143-10-2

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