Category: 517-23-7

On August 31, 2019, Fan, Cheng-Jie; Huang, Zi-Chun; Li, Bei; Xiao, Wen-Xia; Zheng, En; Yang, Ke-Ke; Wang, Yu-Zhong published an article.Formula: C6H8O3 The title of the article was A robust self-healing polyurethane elastomer: From H-bonds and stacking interactions to well-defined microphase morphology. And the article contained the following:

Supramol. interactions have been extensively considered in the field of self-healing materials due to their excellent reversibility and sensitive responsiveness to environmental stimuli. However, development of a polymeric material with good mech. performance as well as self-healing capacity is very challenging. In this study, we report a robust self-healing polyurethane (PU) elastomer polypropylene glycol-2-amino-5-(2- hydroxyethyl)-6-methylpyrimidin-4-ol (PPG-mUPy) by integrating ureidopyrimidone (UPy) motifs with a PPG segment with a well-defined architecture and microphase morphol. To balance the self-healing capacity and mech. performance, a thermal-triggered switch of H-bonding is introduced. The quadruple H-bonded UPy dimeric moieties in the backbone induce phase separation to form a hard domain as well as enable further aggregation into microcrystals by virtue of the stacking interactions, which are stable in ambient temperature This feature endows the PU with high mech. strength. Meanwhile, a high healing efficiency can be realized, when the reversibility of the H-bond was unlocked from the stacking at higher temperature An optimized sample PPG1000-mUPy50% with a good balance of mech. performance (20.62 MPa of tensile strength) and healing efficiency (93% in tensile strength) was achieved. This strategy will provide a new idea for developing robust self-healing polymers. The experimental process involved the reaction of 3-Acetyldihydrofuran-2(3H)-one(cas: 517-23-7).Formula: C6H8O3

The Article related to self healing polyurethane elastomer microphase morphol, Pharmaceuticals: Pharmaceutics and other aspects.Formula: C6H8O3

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Ronsisvalle, Simone; Panarello, Federica; Spadaro, Angelo; Franchini, Silvia; Pappalardo, Matteo; Guccione, Salvatore; Basile, Livia published an article in 2020, the title of the article was Pharmacological properties and biochemical mechanisms of μ-opioid receptor ligands might be due to different binding poses: MD studies.Related Products of 517-23-7 And the article contains the following content:

Central and peripheral analgesia without adverse effects relies on the identification of μ-opioid agonists that are able to activate basal antinociceptive pathways. Recently developed μ-selective benzomorphan agonists that are not antagonized by naloxone do not activate G-proteins and β-arrestins. Which pathways do μ receptors activate How can each of them be selectively activated What role is played by allosteric binding sites. Mol. modeling studies characterize the amino acid residues involved in the interaction with various classes of endogenous and exogenous ligands and with agonists and antagonists. Critical binding differences between various classes of agonists with different pharmacol. profiles have been identified. MML series binding poses may be relevant in the search for an antinociception agent without side effects. The experimental process involved the reaction of 3-Acetyldihydrofuran-2(3H)-one(cas: 517-23-7).Related Products of 517-23-7

The Article related to mu opioid receptor ligands antinociception, mor, allosteric site, benzomorphans, molecular dynamics, molecular modeling, opioid receptor, orthosteric site, Pharmacology: Structure-Activity and other aspects.Related Products of 517-23-7

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On March 22, 2021, Wang, Yongtao; Lu, Rui; Yao, Jia; Li, Haoran published an article.Formula: C6H8O3 The title of the article was 1,5,7-Triazabicyclo[4.4.0]dec-5-ene Enhances Activity of Peroxide Intermediates in Phosphine-Free α-Hydroxylation of Ketones. And the article contained the following:

The critical role of double hydrogen bonds was addressed for the aerobic α-hydroxylation of ketones catalyzed by 1,5,7-triazabicyclo[4.4.0]dec-5-ene (TBD), in the absence of either a metal catalyst or phosphine reductant. Exptl. and theor. investigations were performed to study the mechanism. In addition to initiating the reaction by proton abstraction, a more important role of TBD was revealed, i.e., to enhance the oxidizing ability of peroxide intermediates, allowing DMSO to be used rather than commonly used phosphine reductants. Further characterizations with nuclear Overhauser effect spectroscopy (NOESY) confirmed the presence of double hydrogen bonds between TBD and the ketone, and kinetic studies suggested the attack of dioxygen on the TBD-enol adduct to be the rate-determining step. This work should encourage the application of TBD as a catalyst for oxidations The experimental process involved the reaction of 3-Acetyldihydrofuran-2(3H)-one(cas: 517-23-7).Formula: C6H8O3

The Article related to aerobic hydroxylation ketone triazabicyclodecene catalyst green chem mol modeling, aerobic hydroxylation, double hydrogen bonds, guanidine, peroxide, reaction mechanism, Alicyclic Compounds: Cyclohexanes and other aspects.Formula: C6H8O3

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On August 31, 2020, Yuan, Chuan; Jiang, Ding; Wang, Shuang; Barati, Bahram; Gong, Xun; Cao, Bin; Zhang, RuiPing; Zhang, Chuang; Odey, Emmanuel A. published an article.Quality Control of 3-Acetyldihydrofuran-2(3H)-one The title of the article was Study on catalytic pyrolysis mechanism of seaweed polysaccharide monomer. And the article contained the following:

In this study, L-rhamnose monohydrate (LRM) was used as a model compound of seaweed polysaccharide to study its pyrolysis and catalytic pyrolysis mechanism. Initially, the weight loss curve of LRM was obtained by thermogravimetric anal. The main weight loss temperature was found to be at 350-550°C. Then, the pyrolysis mechanism of LRM was analyzed and verified by macroscopic experiments and mol. simulations. Experiments showed that the bio-oil yield was highest when the temperature reached around 500°C, and the bio-oil contained large amount of furan substances. Finally, the effects of different proportions of catalysts (Mg-Ce/ZSM-5) on bio-oil products were studied, and the catalytic reaction mechanism was discussed. The experimental process involved the reaction of 3-Acetyldihydrofuran-2(3H)-one(cas: 517-23-7).Quality Control of 3-Acetyldihydrofuran-2(3H)-one

The Article related to seaweed rhamnose monohydrate catalytic pyrolysis density functional theory, Unit Operations and Processes: Other and other aspects.Quality Control of 3-Acetyldihydrofuran-2(3H)-one

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Arndt, Daniel; Wachsmuth, Christian; Buchholz, Christoph; Bentley, Mark published an article in 2020, the title of the article was A complex matrix characterization approach, applied to cigarette smoke, that integrates multiple analytical methods and compound identification strategies for non-targeted liquid chromatography with high-resolution mass spectrometry.Application In Synthesis of 3-Acetyldihydrofuran-2(3H)-one And the article contains the following content:

Rationale : For the characterization of the chem. composition of complex matrixes such as tobacco smoke, containing more than 6000 constituents, several anal. approaches have to be combined to increase compound coverage across the chem. space. Furthermore, the identification of unknown mols. requiring the implementation of addnl. confirmatory tools in the absence of reference standards, such as tandem mass spectrometry spectra comparisons and in silico prediction of mass spectra, is a major bottleneck. Methods : We applied a combination of four chromatog./ionization techniques (reversed-phase (RP) – heated electrospray ionization (HESI) in both pos. (+) and neg. (-) modes, RP – atm. pressure chem. ionization (APCI) in pos. mode, and hydrophilic interaction liquid chromatog. (HILIC) – HESI pos.) using a Thermo Q Exactive® liquid chromatog./high-resolution accurate mass spectrometry (LC/HRAM-MS) platform for the anal. of 3R4F-derived smoke. Compound identification was performed by using mass spectral libraries and in silico predicted fragments from multiple integrated databases. Results : A total of 331 compounds with semi-quant. estimates ≥100 ng per cigarette were identified, which were distributed within the known chem. space of tobacco smoke. The integration of multiple LC/HRAM-MS-based chromatog./ionization approaches combined with complementary compound identification strategies was key for maximizing the number of amenable compounds and for strengthening the level of identification confidence. A total of 50 novel compounds were identified as being present in tobacco smoke. In the absence of reference MS2 spectra, in silico MS2 spectra prediction gave a good indication for compound class and was used as an addnl. confirmatory tool for our integrated non-targeted screening (NTS) approach. Conclusions : This study presents a powerful chem. characterization approach that has been successfully applied for the identification of novel compounds in cigarette smoke. We believe that this innovative approach has general applicability and a huge potential benefit for the anal. of any complex matrixes. The experimental process involved the reaction of 3-Acetyldihydrofuran-2(3H)-one(cas: 517-23-7).Application In Synthesis of 3-Acetyldihydrofuran-2(3H)-one

The Article related to cigarette smoke composition high resolution accurate mass spectrometry, Toxicology: Methods (Including Analysis) and other aspects.Application In Synthesis of 3-Acetyldihydrofuran-2(3H)-one

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Ester – an overview | ScienceDirect Topics

Kodama, Susumu; Yoshii, Nao; Ota, Akihiro; Takeshita, Jun-ichi; Yoshinari, Kouichi; Ono, Atsushi published an article in 2021, the title of the article was Association between in vitro nuclear receptor-activating profiles of chemical compounds and their in vivo hepatotoxicity in rats.Formula: C6H8O3 And the article contains the following content:

The liver plays critical roles to maintain homeostasis of living organisms and is also a major target organ of chem. toxicity. Meanwhile, nuclear receptors (NRs) are known to regulate major liver functions and also as a critical target for hepatotoxic compounds In this study, we established mammalian one-hybrid assay systems for five rat-derived NRs, namely PXR, PPARα, LXRα, FXR and RXRα, and evaluated a total of 326 compounds for their NR-activating profiles. Then, we assessed the association between their NR-activating profile and hepatotoxic endpoints in repeated-dose toxicity data of male rats from Hazard Evaluation Support System. In the in vitro cell-based assays, 68, 38, 20, 17 and 17 compounds were identified as positives for PXR, PPARα, LXRα, FXR and RXRα, resp. The association analyses demonstrated that the PXR-pos. compounds showed high frequency of endpoints related to liver hypertrophy, such as centrilobular hepatocellular hypertrophy, suggesting that PXR activation is involved in chem.-induced liver hypertrophy in rats. It is intriguing to note that the PXR-pos. compounds also showed statistically significant associations with both prolonged activated partial thromboplastin time and prolonged prothrombin time, suggesting a possible involvement of PXR in the regulation of blood clotting factors. Collectively, our approach may be useful for discovering new functions of NRs as well as understanding the complex mechanism for hepatotoxicity caused by chem. compounds The experimental process involved the reaction of 3-Acetyldihydrofuran-2(3H)-one(cas: 517-23-7).Formula: C6H8O3

The Article related to chem compound nuclear receptor activating profile hepatotoxicity, Toxicology: Methods (Including Analysis) and other aspects.Formula: C6H8O3

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Ester – an overview | ScienceDirect Topics

On April 30, 2020, Bentley, Mark C.; Almstetter, Martin; Arndt, Daniel; Knorr, Arno; Martin, Elyette; Pospisil, Pavel; Maeder, Serge published an article.Application In Synthesis of 3-Acetyldihydrofuran-2(3H)-one The title of the article was Comprehensive chemical characterization of the aerosol generated by a heated tobacco product by untargeted screening. And the article contained the following:

Abstract: A suite of untargeted methods has been applied for the characterization of aerosol from the Tobacco Heating System 2.2 (THS2.2), a heated tobacco product developed by Philip Morris Products S.A. and commercialized under the brand name IQOS. A total of 529 chem. constituents, excluding water, glycerin, and nicotine, were present in the mainstream aerosol of THS2.2, generated by following the Health Canada intense smoking regimen, at concentrations ≥ 100 ng/item. The majority were present in the particulate phase (n = 402), representing more than 80% of the total mass determined by untargeted screening; a proportion were present in both particulate and gas-vapor phases (39 compounds). The identities for 80% of all chem. constituents (representing > 96% of the total determined mass) were confirmed by the use of authentic anal. reference materials. Despite the uncertainties that are recognized to be associated with aerosol-based untargeted approaches, the reported data remain indicative that the uncharacterized fraction of TPM generated by THS2.2 has been evaluated to the fullest practicable extent. To the best of our knowledge, this work represents the most comprehensive chem. characterization of a heated tobacco aerosol to date. The experimental process involved the reaction of 3-Acetyldihydrofuran-2(3H)-one(cas: 517-23-7).Application In Synthesis of 3-Acetyldihydrofuran-2(3H)-one

The Article related to aerosol heated tobacco product untargeted screening, aerosol, chemical characterization, gc×gc-tofms, heated tobacco product, lc-hram-ms, untargeted screening, Toxicology: Methods (Including Analysis) and other aspects.Application In Synthesis of 3-Acetyldihydrofuran-2(3H)-one

Referemce:
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Ester – an overview | ScienceDirect Topics

Li, Z. W.; Wang, J. H. published an article in 2021, the title of the article was Analysis of volatile aroma compounds from five types of Fenghuang Dancong tea using headspace-solid phase microextraction combined with GC-MS and GC-olfactometry.Quality Control of 3-Acetyldihydrofuran-2(3H)-one And the article contains the following content:

The present work describes the relationship between volatile aroma components and flavors of Fenghuang Dancong tea. Volatile aroma components of five types of Fenghuang Dancong tea namely Baxian, Milanxiang, Yulanxiang, Guihuaxiang, and Yinhuaxiang were extracted by headspace solid-phase microextraction (HS-SPME), then analyzed by gas chromatog.- mass spectrometry (GC-MS) technique and gas chromatog. olfactometry (GC-O) techniques. The GC-MS results showed that a total of 116 volatile components were detected, among which 21 (including alcs., esters, olefins, aldehydes, ketones, and alkanes) were commonly detected in all types of tea. Based on GC-O anal., 26 active ingredients that mainly contribute to grassy, sweet, floral, fruity, woody, and honey aromas were detected. Among these ingredients, four compounds including linalool oxide I, linalool, nerol, and neroli, which give floral, sweet, and honey aromas were abundant (with high aroma intensity) in all five types of tea. This suggests that these compounds are the main components contributing to the unique aroma of Fenghuang Dancong tea. The experimental process involved the reaction of 3-Acetyldihydrofuran-2(3H)-one(cas: 517-23-7).Quality Control of 3-Acetyldihydrofuran-2(3H)-one

The Article related to tea volatile aroma compound hs spme gc ms olfactometry, Placeholder for records without volume info and other aspects.Quality Control of 3-Acetyldihydrofuran-2(3H)-one

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Ester – an overview | ScienceDirect Topics

Kumari, Aruna; Sharma, R. A. published an article in 2022, the title of the article was GC-MS analysis of the methanol fraction of Ailanthus excelsa Roxb. fruit.SDS of cas: 517-23-7 And the article contains the following content:

The objective of the study was to evaluate the phytochem. compounds present in the methanolic fruit extract of Ailanthus excelsa. Phytochem. screening was carried out using the GC-MS instrument following the standard protocol. GC-MS studies revealed the presence of 65 compounds in fruit extract of Ailanthus excelsa. Among them, highest peak area (37.67%) was obtained for Mome Inositol (Six hydroxyl group polysaccharide) (Retention time 14.873). This study identifies the presence of pharmacol. active compounds which can be constructive for the formulation of novel drugs. The experimental process involved the reaction of 3-Acetyldihydrofuran-2(3H)-one(cas: 517-23-7).SDS of cas: 517-23-7

The Article related to ailanthus excelsa fruit methanol fraction gc ms, Placeholder for records without volume info and other aspects.SDS of cas: 517-23-7

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Peng, Panpan; Yang, Jianjun; Wu, Qingyun; Wu, Mingyuan; Liu, Jiuyi; Zhang, Jianan published an article in 2021, the title of the article was Fabrication of N-halamine polyurethane fi lms with excellent antibacterial properties.Recommanded Product: 517-23-7 And the article contains the following content:

An N-halamine precursor, namely, 2-amino-5-(2-hydroxyethyl)-6-methylpyrimidin-4-one (AHM), was used as a chain extender in the preparation of a series of N-halamine polyurethane (PU) films, in order to also instill antibacterial properties. The mech. properties, thermodn. performance, and antimicrobial performance of the functionalized PU films were systematically studied. The results showed that the addition of AHM could improve the thermodn. and mech. properties of the developed PU films. Conducting tests in the presence of Escherichia coli and Staphylococcus aureus as the model microorganisms revealed that prior to chlorination the antibacterial properties of the chlorinated PU-AHM-Cl films improved significantly relative to the analogus films. The excellent antibacterial properties and the overall superior performance of the PU-AHMCl films allow their potential application in microbiol. protection materials and related fields. The experimental process involved the reaction of 3-Acetyldihydrofuran-2(3H)-one(cas: 517-23-7).Recommanded Product: 517-23-7

The Article related to nhalamine polyurethane film fabrication antibacterial activity, Placeholder for records without volume info and other aspects.Recommanded Product: 517-23-7

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Ester – an overview | ScienceDirect Topics