Month: September 2022

Kasting, B. J.;Beasley, M. S.;Guiseppi-Elie, A.;Richert, R.;Ediger, M. D. published 《Relationship between aged and vapor-deposited organic glasses: Secondary relaxations in methyl-m-toluate》. The research results were published in《Journal of Chemical Physics》 in 2019.Recommanded Product: 99-36-5 The article conveys some information:

In situ interdigitated electrode broadband dielec. spectroscopy was used to characterize the excess wing relaxations in vapor-deposited and aged glasses of methyl-m-toluate (MMT, T_g = 170 K). MMT displays typical excess wing relaxations in dielec. spectra of its supercooled liquid and glasses. Phys. vapor deposition produced glasses with degrees of suppression of the excess wing relaxation that varied systematically with deposition conditions, up to a maximum suppression of more than a factor of 3. The glass deposited at a relatively high temperature, 0.96 T_g (163 K), showed the same amount of suppression as that of a liquid-cooled glass aged to equilibrium at this temperature The suppression of the excess wing relaxation was strongly correlated with the kinetic stability of the vapor-deposited glasses. Comparisons with aged MMT glasses allowed an estimate of the structural relaxation time of the vapor-deposited glasses. The dependence of the estimated structural relaxation times upon the substrate temperature was found to be stronger than Arrhenius but weaker than Vogel-Fulcher-Tammann dependence predicted from extrapolation of relaxation times in the supercooled liquid Addnl., this work provides the first example of the separation of primary and secondary relaxations using phys. vapor deposition. (c) 2019 American Institute of Physics.Methyl 3-methylbenzoate (cas: 99-36-5) were involved in the experimental procedure.

Methyl 3-methylbenzoate (cas: 99-36-5) is a common ester.Esters are common in organic chemistry and biological materials, and often have a pleasant characteristic, fruity odor. This leads to their extensive use in the fragrance and flavor industry. Ester bonds are also found in many polymers.Recommanded Product: 99-36-5

Reference:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Quality Control of Oxacyclohexadecan-2-one《Quadruple-shape hydrogels》 was published in 2019. The authors were Balk, Maria;Behl, Marc;Lendlein, Andreas, and the article was included in《Smart Materials and Structures》. The author mentioned the following in the article:

The capability of directed movements by two subsequent shape changes could be implemented in shape-memory hydrogels by incorporation of two types of crystallizable side chains. While in nonswollen polymer networks even more directed movements could be realized, the creation of multishape hydrogels is still a challenge. We hypothesize that a quadruple-shape effect in hydrogels can be realized, when a swelling capacity almost independent of temperature is generated, whereby directed movements could be enabled, which are not related to swelling. In this case, entropy elastic recovery could be realized by hydrophilic segments and the fixation of different macroscopic shapes by means of three semi-crystalline side chains generating temporary crosslinks. Monomethacrylated semicrystalline oligomers were connected as side chains in a hydrophilic polymer network via radical copolymerization Computer assisted modeling was utilized to design a demonstrator capable of complex shape shifts by creating a casting mold via 3D printing from polyvinyl alc. The demonstrator was obtained after copolymerization of polymer network forming components within the mold, which was subsequently dissolved in water. A thermally-induced quadruple-shape effect was realized after equilibrium swelling of the polymer network in water. Three directed movements were successfully obtained when the temperature was continuously increased from 5°C to 90°C with a recovery ratio of the original shape above 90%. Hence, a thermally-induced quadruple-shape effect as new record for hydrogels was realized. Here, the temperature range for the multi-shape effect was limited by water as swelling media (0°C-100°C), simultaneously distinctly separated thermal transitions were required, and the overall elasticity indispensable for successive deformations was reduced as result of partially chain segment orientation induced by swelling in water. Conclusively the challenges for penta- or hexa-shape gels are the design of systems enabling higher elastic deformability and covering a larger temperature range by switching to a different solvent. The experimental procedure involved many compounds, such as Oxacyclohexadecan-2-one (cas: 106-02-5) .

Oxacyclohexadecan-2-one(cas:106-02-5) is a monomer used to make PGA-co-pentadecalactone polymers to be used in the development of directly compressed prolonged release tablets of slightly soluble drugs such as ketoprofen.Quality Control of Oxacyclohexadecan-2-oneIt may be used for the synthesis of poly(pentadecanolide) (PPDL) by Novozyme 435 catalyzed ring-opening polymerization.

Reference:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

COA of Formula: C9H10O2In 2019, Zhang, Rong;Yang, Xi;Tao, Zheng;Wang, Xiao;Wang, Huixiang;Wang, Liancheng;Lv, Baoliang published 《Insight into the Effective Aerobic Oxidative Cross-Esterification of Alcohols over Au/Porous Boron Nitride Catalyst》. 《ACS Applied Materials & Interfaces》published the findings. The article contains the following contents:

Boron nitride (BN) has attracted great attention with an unexpected ability in aerobic catalysis. Still, its related probe reactions are relatively rare, and the effect of the BN-supported metal catalyst on O₂ activation is still ambiguous, and opinions are varied. In this work, the porous BN (pBN)-supported Au catalyst with a porous structure and exposed edges exhibits high activity in the oxidative cross-esterification reactions between the aromatic and C₁-C₃ aliphatic alcs. at ambient temperature The turnover frequency value for Me benzoate is 118 h^-1 at 30 °C, and the calculated apparent activation energy (Ea, 58 kJ/mol) is comparable to that of AuPd/TiO₂, Ru/Al₂O₃, and PdBiTe catalysts. Combined with temperature-programmed desorption (TPD) results, the loading of Au enhances the desorption of O₂ and the interaction with alcs.; thus, a synergistic effect between the O-rich pBN and Au is considered. The free-radical scavenger can dramatically suppress the conversion (∼6%), suggesting that the reaction proceeds via the O₂* radicals. According to the vibration of ν_O-O, δ_OO-H, and ν_B-O-O-B detected by attenuated total reflectance-IR spectroscopy (ATR-IR), we are prone to consider the oxygen activation route by the edge B atoms. Then, a possible L-H reaction mechanism was proposed: benzyl alc. and O₂ adsorb on the Au/pBN initially, then O₂ is converted to O₂*, and the α-H elimination proceeds; as the semi-acetal formed, another α-H elimination proceeds and Me benzoate is finally formed. The experimental procedure involved many compounds, such as Methyl 3-methylbenzoate (cas: 99-36-5) .

Methyl 3-methylbenzoate (cas: 99-36-5) is a common ester.Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids.COA of Formula: C9H10O2 Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries.

Reference:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

HPLC of Formula: 124-06-1《Gas chromatography study of N-hexane and chloroform fractions of ethanol extract of Melastoma malabathricum L. leaves: an in vitro study of antioxidant and SPF values》 was published in 2022. The authors were Apridamayanti, P.;Pratiwi, L.;Sari, R., and the article was included in《International Journal of Pharmacy and Pharmaceutical Sciences》. The author mentioned the following in the article:

This research aimed to qual. determine the chem. compound constituents, antioxidant capacity, and sun protection factor (SPF) value of extract of the leaves of Melastoma malabathricum L. using GC-MS. The detected compounds were identified by processing the raw GC-MS data using ChemStation software and comparing results with the NIST mass spectral database. Antioxidant capacity was measured using 1,2-diphenyl-2-picrylhydrazyl (DPPH) radical-scavenging and ferric-reducing antioxidant power (FRAP) assays. The SPF contained in the n-hexane and chloroform fractions separated from the ethanol extract of the leaves of Melastoma malabathricum L was identified. The GC-MS test results revealed that 21 and 29 peaks of separation occurred in the n-hexane and chloroform fractions. The highest peak values are hexadecanoic acid Me ester (a fatty acid group also known as palmitic acid) (100%) in the n-hexane and chloroform fractions. The highest chem. content in n-hexane and chloroform fractions was obtained at 20 min. The thin-layer chromatog. (TLC) results indicated that the n-hexane and chloroform fractions contained steroid and terpenoid compounds The antioxidant capacity test using DPPH showed that the n-hexane and chloroform fractions of ethanol extract of the leaves of Melastoma malabathricum L had IC50 values of 49.2±7.9 g/mL and 11.3±3.65 g/mL, resp. Using FRAP, the IC50 values of the n-hexane and chloroform fractions were identified as 365.2±133.6 g/mL and 80.8±8.9 g/mL, resp., categorizing them as strong and weak antioxidants. SPF testing produced SPF values for the n-hexane and chloroform fractions of ethanol extract of Melastoma malabathricum L leaves of 11.7±0.1 and 21±0.4, resp. The study results show that the antioxidant activity and the SPF values of the chloroform fraction are greater than those of the n-hexane fraction. In conclusion, the n-hexane and chloroform fractions are found to have antioxidant properties in the weak and solid categories and the ability to protect against sunlight in the vulnerable category.Ethyl tetradecanoate (cas: 124-06-1) were involved in the experimental procedure.

Ethyl tetradecanoate(cas: 124-06-1) is a labeled component from essential oil of natural hawthorn perfume. Also frequently used in cosmetics, soaps, and flavorings.HPLC of Formula: 124-06-1Ethyl myristate is a long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of myristic acid with the hydroxy group of ethanol.

Reference:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Le Pogam, Pierre;Boustie, Joel;Richomme, Pascal;Denis, Antoine;Schinkovitz, Andreas published 《The inherent matrix properties of lichen metabolites in matrix-assisted laser desorption ionization time-of-flight mass spectrometry》 in 2017. The article was appeared in 《Rapid Communications in Mass Spectrometry》. They have made some progress in their research.Name: Methyl 2,4-dihydroxy-3,6-dimethylbenzoate The article mentions the following:

Light-absorbing secondary metabolites from lichens were recently reported to exhibit promising Laser Desorption Ionization (LDI) properties, enabling their direct detection from crude lichen extracts In addition, many of them display close structural homologies to com. Matrix-Assisted Laser Desorption Ionization (MALDI) matrixes, which is incentive for the evaluation of their matrical properties. The current study systematically evaluated the matrix effects of several structural classes of lichen metabolites: monoarom. compounds, quinone derivatives, dibenzofuran-related mols. and the shikimate-derived vulpinic acid. Their matrical properties were tested against a wide range of structurally diverse analytes including alkaloids, coumarins, flavonoids and peptides. Triplicate automatic pos.-ion mode MALDI analyses were carried out and ionization efficiencies were compared with those of structurally related reference matrixes (i.e. DHB, HCCA, dithranol and usnic acid) in terms of (1) analyte absolute intensities and (2) Matrix Suppressing Effect (MSE) scores. Monoarom. lichen metabolites revealed matrical properties similar to those of DHB when obtained under comparable exptl. conditions. Likewise, anthraquinone metabolites triggered ionization of tested analytes in a similar way to the structurally related dithranol. Finally, dibenzofuran derivatives displayed a broad ionization profile, reminiscent of that of (+)-usnic acid. Thus, lichen metabolites exhibit interesting MALDI matrix properties, especially for medium and low mol. weight analytes. For many of the tested mols., matrix ion formation was very limited. This proof-of-concept study paves the way for follow-up studies to assess the matrix properties of lichen metabolites against a wider array of analytes as well as adapting exptl. settings to individually optimize the performance of successfully tested candidates. The experimental procedure involved many compounds, such as Methyl 2,4-dihydroxy-3,6-dimethylbenzoate (cas: 4707-47-5) .

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate(4707-47-5) is used in biological study as role of androgens in inducing distinct response of epithelial-mesenchymal transition factors in human prostate cancer cells.Name: Methyl 2,4-dihydroxy-3,6-dimethylbenzoate

Reference:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Liu, Bing-Lei;Hu, Xin;He, Hua-Liang;Qiu, Lin;Li, You-Zhi;Ding, Wen-Bing published 《A new epicatechin glucopyranoside derivative from Styrax suberifolius》. The research results were published in《Natural Product Research》 in 2020.Category: esters-buliding-blocks The article conveys some information:

A new derivative of epicatechin glucopyranoside, (2R,3R)-3,7,4′-trihydroxy-5,3′-dimethoxyflavan 7-O-β-D-glucopyranoside (1), together with three mononuclear phenolic acid esters, Me orsellinate (2), Et orsellinate (3) and Me β-orcinolcarboxylate (4) were isolated from the bark of Styrax suberifolius. The structures of 1-4 were determined on the basis of extensive anal. of NMR and MS spectra combined with chem. hydrolysis. The antifungal activities of the isolated compounds against three plant pathogenic fungi, Alternaria solani, Fusarium oxysporum and Phomopsis cytospore were evaluated using radial growth inhibition assay. Compounds 2, 3 and 4 exerted selective inhibitory activities against the tested fungi. Among of them, Me β-orcinolcarboxylate (4) exhibited obvious inhibitory effect against P. cytospore, with an inhibition rate of 86.72% at 100μg/mL. To complete the study, the researchers used Methyl 2,4-dihydroxy-3,6-dimethylbenzoate (cas: 4707-47-5) .

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate(4707-47-5) is used in biological study as role of androgens in inducing distinct response of epithelial-mesenchymal transition factors in human prostate cancer cells.Category: esters-buliding-blocks

Reference:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Mun, Seul-Ki;Kang, Kyung-Yun;Jang, Ho-Yeol;Hwang, Yun-Ho;Hong, Seong-Gyeol;Kim, Su-Jin;Cho, Hyun-Wook;Chang, Dong-Jo;Hur, Jae-Seoun;Yee, Sung-Tae published 《Atraric acid exhibits anti-inflammatory effect in lipopolysaccharide-stimulated RAW264.7 cells and mouse models》 in 2020. The article was appeared in 《International Journal of Molecular Sciences》. They have made some progress in their research.HPLC of Formula: 4707-47-5 The article mentions the following:

Lichens, composite organisms resulting from the symbiotic association between the fungi and algae, produce a variety of secondary metabolites that exhibit pharmacol. activities. This study aimed to investigate the anti-inflammatory activities of the secondary metabolite atraric acid produced by Heterodermia hypoleuca. The results confirmed that atraric acid could regulate induced pro-inflammatory cytokine, nitric oxide, prostaglandin E2, induced nitric oxide synthase and cyclooxygenase-2 enzyme expression in lipopolysaccharide (LPS)-stimulated RAW264.7 cells. Meanwhile, atraric acid downregulated the expression of phosphorylated IκB, extracellular signal-regulated kinases (ERK) and nuclear factor kappa B (NFκB) signaling pathway to exhibit anti-inflammatory effects in LPS-stimulated RAW264.7 cells. Based on these results, the anti-inflammatory effect of atraric acid during LPS-induced endotoxin shock in a mouse model was confirmed. In the atraric acid treated-group, cytokine production was decreased in the peritoneum and serum, and each organ damaged by LPS-stimulation was recovered. These results indicate that atraric acid has an anti-inflammatory effect, which may be the underlying mol. mechanism involved in the inactivation of the ERK/NFκB signaling pathway, demonstrating its potential therapeutic value for treating inflammatory diseases. The experimental procedure involved many compounds, such as Methyl 2,4-dihydroxy-3,6-dimethylbenzoate (cas: 4707-47-5) .

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate(4707-47-5) is used in biological study as role of androgens in inducing distinct response of epithelial-mesenchymal transition factors in human prostate cancer cells.HPLC of Formula: 4707-47-5

Reference:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Pedragosa-Moreau, Sandrine;Le Flohic, Alexandre;Thienpondt, Vivien;Lefoulon, Francois;Petit, Anne-Marie;Rios-Lombardia, Nicolas;Moris, Francisco;Gonzalez-Sabin, Javier published 《Exploiting the Biocatalytic Toolbox for the Asymmetric Synthesis of the Heart-Rate Reducing Agent Ivabradine》. The research results were published in《Advanced Synthesis & Catalysis》 in 2017.Application In Synthesis of 1-Phenylethyl acetate The article conveys some information:

Several chemoenzymic routes have been evaluated for the production of the heart-rate reducing agent ivabradine. Lipases and ω-transaminases have been identified as useful biocatalysts for the preparation of key enantiopure precursors. The lipase-catalyzed kinetic resolution by alkoxycarbonylation of a racemic primary amine and subsequent chem. reduction of the resulting carbamate provided an N-methylated (S)-amine, one step away from ivabradine. Alternatively, the dynamic kinetic resolution by asym. bioamination of an aldehyde precursor enabled, in a four-step sequence, the preparative scale synthesis of enantiopure ivabradine in 50% overall yield.1-Phenylethyl acetate (cas: 93-92-5) were involved in the experimental procedure.

1-Phenylethyl acetate(cas:93-92-5) is a carboxylic ester. Application In Synthesis of 1-Phenylethyl acetate It may be prepared by acetylation of methyl phenyl carbinol; from 1-bromoethylbenzene and silver acetate in acetic acid; from benzaldehyde by reacting with magnesium methyl bromide and subsequent acetylation.

Reference:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Taritla, Sidhartha;Kumari, Madhuree;Kamat, Siya;Bhat, Sarita G.;Jayabaskaran, C. published 《Optimization of physicochemical parameters for production of cytotoxic secondary metabolites and apoptosis induction activities in the culture extract of a marine algal-derived endophytic fungus Aspergillus sp.》. The research results were published in《Frontiers in Pharmacology》 in 2021.Reference of 1-Phenylethyl acetate The article conveys some information:

The endophytic fungal community in the marine ecosystem has been demonstrated to be relevant source of novel and pharmacol. active secondary metabolites. The current study focused on the evaluation of cytotoxic and apoptosis induction potential in the culture extracts of endophytic fungi associated with Sargassum muticum, a marine brown alga. The cytotoxicity of the four marine endophytes, Aspergillus sp., Nigrospora sphaerica, Talaromyces purpureogenus, and Talaromyces stipitatus, was evaluated by the MTT assay on HeLa cells. Further, several physicochem. parameters, including growth curve, culture media, and organic solvents, were optimized for enhanced cytotoxic activity of the selected extract The Aspergillus sp. Et acetate extract (ASE) showed maximum cytotoxicity on multiple cancer cell lines. Chem. investigation of the metabolites by gas chromatog.-mass spectroscopy (GC-MS) showed the presence of several compounds, including quinoline, indole, 2,4-bis(1,1-dimethylethyl) phenol, and hexadecenoic acid, known to be cytotoxic in ASE. The ASE was then tested for cytotoxicity in vitro on a panel of six human cancer cell lines, namely, HeLa (cervical adenocarcinoma), MCF-7 (breast adenocarcinoma), Hep G2 (hepatocellular carcinoma), A-549 (lung carcinoma), A-431 (skin/epidermis carcinoma), and LN-229 (glioblastoma). HeLa cells were most vulnerable to ASE treatment with an IC₅₀ value of 24 ± 2 μg/mL. The mechanism of cytotoxicity exhibited by the ASE was further investigated on Hela cells. The results showed that the ASE was capable of inducing apoptosis in HeLa cells through production of reactive oxygen species, depolarization of mitochondrial membrane, and activation of the caspase-3 pathway, which shows a possible activation of the intrinsic apoptosis pathway. It also arrested the HeLa cells at the G2/M phase of the cell cycle, eventually leading to apoptosis. Through this study, we add to the knowledge about the marine algae associated with fungal endophytes and report its potential for purifying specific compounds responsible for cytotoxicity. And 1-Phenylethyl acetate (cas: 93-92-5) was used in the research process.

1-Phenylethyl acetate(cas:93-92-5) is a carboxylic ester. Reference of 1-Phenylethyl acetate It may be prepared by acetylation of methyl phenyl carbinol; from benzaldehyde by reacting with magnesium methyl bromide and subsequent acetylation; from 1-bromoethylbenzene and silver acetate in acetic acid.

Reference:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Pham, Ly L.;Truong, Lisa;Ouedraogo, Gladys;Loisel-Joubert, Sophie;Martin, Matthew T.;Paul Friedman, Katie published 《Profiling 58 compounds including cosmetic-relevant chemicals using ToxRefDB and ToxCast》. The research results were published in《Food and Chemical Toxicology》 in 2019.Name: 1-Phenylethyl acetate The article conveys some information:

This work suggests that NAMs for bioactivity may inform a conservative point-of-departure estimate for diverse CRCs. For 17 of the 58 CRCs, high-throughput toxicokinetic data were used to calculate administered equivalent doses (AEDs) in mg/kg/day units for the in vitro bioactivity observed, and these AEDs served as conservative estimators of the systemic LELs observed in vivo. In terms of both target organ effects and study type, the median of the lowest effect level (LEL) doses in ToxRefDB for CRCs tended to be slightly higher than the median for the remaining 928 chems. with study data in ToxRefDB, though the ranges of LELs were similar. CRCs were diverse in use types as suggested by broad chem. use categories. To demonstrate NAMs for safety assessment, we surveyed in vitro bioactivity and in vivo systemic toxicity data in the US Environmental Protection Agency’s (EPA’s) Toxicity Forecaster (ToxCast) and Toxicity Reference databases (ToxRefDB), resp., for 58 chems. identified as CRCs, including cosmetic ingredients as well as trace contaminants. Safety assessment for cosmetic-relevant chems. (CRCs) in the European Union has been reshaped by restrictions on animal testing, and new approach methodologies (NAMs) for predicting toxicity are critical to ensure new cosmetic product safety. The experimental procedure involved many compounds, such as 1-Phenylethyl acetate (cas: 93-92-5) .

1-Phenylethyl acetate(cas:93-92-5) is a carboxylic ester. Name: 1-Phenylethyl acetate It may be prepared by acetylation of methyl phenyl carbinol; from benzaldehyde by reacting with magnesium methyl bromide and subsequent acetylation; from 1-bromoethylbenzene and silver acetate in acetic acid.

Reference:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics