Month: December 2022

Osman, Che Puteh published the artcileDiscrimination of 11 Malaysian Durian Cultivars Based on Sulfur-Containing Volatiles and Esters Using Multivariate Data Analysis, Recommanded Product: Ethyl 3-hydroxybutanoate, the main research area is sulfur volatile ester Malaysian durian cultivar multivariate data analysis.

There are reports documenting the volatile oils of several durian cultivars in Malaysia. However, there is limited information on the rapid discrimination of the durian cultivars based on the composition of the total volatiles and individual volatile compounds Thus, the present work aims to discriminate 11 Malaysian durian cultivars based on their volatile compositions using multivariate data anal. Sulfur-containing volatiles are the major volatiles in D175 (Udang Merah), D88 (Darling), D13 (Golden Bun), DXO (D24 Special), D17 (Green Bamboo), D2 (Dato Nina), and D168 (Hajah Hasmah) durian cultivars, while esters are predominant in D99 (Kop Kecil), D24 (Bukit Merah), and D160 (Musang Queen) durian cultivars. D197 (Musang King) cultivar has an almost equal composition of sulfur-containing volatiles and esters. In the ester predominated volatile durian oil, Et 2-methylbutanoate and Pr 2-methylbutanoate are the major volatile compounds, while the durian cultivars with predominant sulfur-containing volatiles mainly contain di-Et disulfide, di-Et trisulfide, and 3,5-dimethyl-1,2,4-trithiolane. The durian cultivars were clustered into 8 clusters using principal component anal., with 3 clusters consisting of 2 cultivars, and with the remaining cultivars clustered individually. The highly sought-after durian cultivars, D160 and D197, were clustered into one. Hierarchal clustering anal. identified the distinct compounds which discriminate every durian cultivar.

Natural Product Communications published new progress about Durio zibethinus. 5405-41-4 belongs to class esters-buliding-blocks, name is Ethyl 3-hydroxybutanoate, and the molecular formula is C6H12O3, Recommanded Product: Ethyl 3-hydroxybutanoate.

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

Zhou, Rusen published the artcilePower-to-chemicals: Low-temperature plasma for lignin depolymerisation in ethanol, Computed Properties of 5405-41-4, the main research area is lignin ethanol depolymerization low temperature plasma; Lignin depolymerisation; Low-temperature plasma; Renewable chemicals.

Lignin valorization into renewable fuels and platform chems. is desirable but still encounters major challenges due to lignin’s recalcitrant structure, and the lack of cost-, energy-, and material efficient conversion processes. Herein, we report a low-temperature plasma-based route to lignin depolymerization at mild conditions. The discharge over ethanol surface locally creating a high-energy and reactive environment rich in free electrons, energetic H radicals, and other reactive species, is well suited for lignin depolymerization Furthermore, assisted with a Fenton reaction (by adding Fe2O3 and H2O2) to sustain a more oxidative environment, the lignin conversion yield increases from 42.6% to 66.0%. Thus-obtained renewable chems. are rich in aromatics and dicarboxylic acid derivatives The proposed strategy on intensifying reactive chem. by high-power plasmas enables an effective power-to-chems. conversion of lignin and may provide useful guidelines for modern biorefineries.

Bioresource Technology published new progress about Depolymerization. 5405-41-4 belongs to class esters-buliding-blocks, name is Ethyl 3-hydroxybutanoate, and the molecular formula is C6H12O3, Computed Properties of 5405-41-4.

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

Wanmolee, Wanwitoo published the artcileOne step liquefaction of hardwood lignin to oligomers soluble in polymerizable solvents, Application In Synthesis of 539-88-8, the main research area is liquefaction hardwood lignin oligomer soluble polymerizable solvent solubility.

Today tech. lignins produced from different industrial processes are underutilized because they possess recalcitrant C-C bonds and reduced proportion of ether bonds, making it difficult to produce building block compounds in high yields. Current methods being developed to process tech. lignin and improve its usefulness involve multiple steps and the use of toxic chems. We report an innovative cleave and couple one step catalytic process on eucalyptus lignin (EUL) to form unique aromatics oligomers with aliphatic side chains using KOH/HCOOH mixture with methanol as the solvent. Under optimum condition, 71 wt% of predominantly dimers and oligomers are formed which are readily soluble in polymerizable solvents such as Me methacrylate. In this one pot process, the KOH not only acts as the catalyst but ensures complete solubilization of EUL, allowing easier cleavage of bonds to form phenolic monomers and quinone groups (which undergo ring opening) followed by repolymn. to form oligomers. The study has opened pathways toward sustainable catalytic conversion of tech. lignin to reactive macromol. building blocks to produce soft nanomaterials.

Industrial Crops and Products published new progress about Depolymerization. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Application In Synthesis of 539-88-8.

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

Arafa, Asmaa M. published the artcileMicropropagation, myristicin production enhancement, and comparative GC-MS analysis of the n-hexane extracts of different organs of Daucus pumilus (Gouan), family apiaceae, Computed Properties of 929-77-1, the main research area is Daucus embryogenesis organogenesis micropropagation silica apiaceae; Daucus pumilus; gas chromatography–mass spectrometry; myristicin; organogenesis; somatic embryogenesis.

Aim: This work aimed to study the somatic embryogenesis and organogenesis of endangered Daucus pumilus (Gouan) for the conservation of this plant and improving the production of secondary metabolites of medicinal value. Materials and Methods: The callus formation and in vitro propagation of D. pumilus (Gouan) by using a different combination of naphthalene acetic acid and benzylaminopurine were established. Various embryogenic stages were tracked using SEM and light microscopy. The volatile constituents of the n-hexane extracts of D. pumilus (Gouan) that extracted by ultrasonic-assisted technique were analyzed by gas chromatog.-mass spectrometry. Results and Discussion: Somatic embryogenesis and organogenesis of endangered D. pumilus (Gouan) were established for the first time. Myristicin and elemicin were successfully increased during micropropagation to 70.89% and 2.19%, resp. Furthermore, the induction of compounds such as 6-methoxymellein, eugenin, Me behenate, and 1,6-dimethylnaphthalene was also detected. Conclusion: Com., this protocol decreases the dependence on wild medicinal plants, enhances the manufacturing of valuable phytochems. to meet the great demands of the pharmaceutical industries, and acts as a mean for genetic transformation of this plant.

Journal of Pharmacy and BioAllied Sciences published new progress about Daucus (pumilus). 929-77-1 belongs to class esters-buliding-blocks, name is Methyl docosanoate, and the molecular formula is C23H46O2, Computed Properties of 929-77-1.

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

Schork, F. Joseph published the artcileMonomer transport in emulsion polymerization III terpolymerization and starved-feed polymerization, Product Details of C16H30O2, the main research area is emulsion polymerization monomer transport Damkohler number.

A simple math. model of the transport of monomer from the monomer droplets to the polymerizing polymer particles during batch emulsion homopolymerization has been developed and published previously. A Damkohler number for monomer transport in emulsion polymerization is proposed as the ratio of the maximum rate of polymerization divided by the maximum rate of monomer transport out of the monomer droplets. This Damkohler number is calculated from literature values for a number of common monomers. Following standard practice for the use of such a Damkohler number in other reaction-with-transport systems, monomers with a Damkohler number above 0.1 are considered to be transport limited. In a third paper the anal. is extended to batch binary copolymerization Here the anal. is extended to the more industrially relevant cases of batch terpolymn., starved-feed copolymerization, and the combination of the two (starved-feed terpolymn.).

Macromolecular Reaction Engineering published new progress about Damkohler number. 142-90-5 belongs to class esters-buliding-blocks, name is Dodecyl 2-methylacrylate, and the molecular formula is C16H30O2, Product Details of C16H30O2.

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

Schork, F. Joseph published the artcileMonomer Transport in Emulsion Polymerization II: Copolymerization, Recommanded Product: Dodecyl 2-methylacrylate, the main research area is emulsion polymerization monomer transport Damkohler number.

The method for evaluating the Damkohler number for monomer transport during emulsion homopolymerization is extended to copolymerization It is shown that monomers that are not monomer-transport limited during homopolymerization may become more so during binary copolymerization, and monomers that are monomer-transport limited during homopolymerization may become less so during binary copolymerization

Macromolecular Reaction Engineering published new progress about Damkohler number. 142-90-5 belongs to class esters-buliding-blocks, name is Dodecyl 2-methylacrylate, and the molecular formula is C16H30O2, Recommanded Product: Dodecyl 2-methylacrylate.

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

Satake, Akiharu published the artcileNovel η3-Allylpalladium-Pyridinylpyrazole Complex: Synthesis, Reactivity, and Catalytic Activity for Cyclopropanation of Ketene Silyl Acetal with Allylic Acetates, Safety of Ethyl 2,2-dimethylpent-4-enoate, the main research area is allyl palladium pyridinyl pyrazole preparation catalyst; cyclopropanation ketene silyl acetal allylic acetate; catalysis cyclopropanation ketene silyl acetal allylic.

Novel cationic η3-allylpalladium-pyridinylpyrazole complexes I (R = Me, But) were synthesized from 3-alkyl-5-(2-pyridinyl)pyrazole and η3-allylpalladium chloride dimer in the presence of AgBF4. Cationic complexes I were converted into neutral complexes II under basic conditions. These complexes were characterized by 1H, 13C, and 15N NMR studies. Neutral complexes II have high catalytic activity for cyclopropanation of ketene silyl acetals with allylic acetates. Comparison of the cationic and neutral complexes and the reaction mechanism of cyclopropanation were discussed.

Journal of the American Chemical Society published new progress about Cyclopropanation. 86549-27-1 belongs to class esters-buliding-blocks, name is Ethyl 2,2-dimethylpent-4-enoate, and the molecular formula is C9H16O2, Safety of Ethyl 2,2-dimethylpent-4-enoate.

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

Roppongi, Takao published the artcileSolubility and mass transfer coefficient of oxygen through gas- and water-lipid interfaces, Formula: C10H20O2, the main research area is gas water lipid interface oxygen solubility mass transfer; Henry’s constant; fatty acid; mass transfer coefficient; oxidation; vegetable oil.

The solubility of oxygen and its transfer rate to the lipid phase play important roles in lipid oxidation, which affects the taste and safety of lipid-containing foods. In this study, we measured the Henry’s constants (solubility) of oxygen for fatty acids, fatty acid esters, and triacylglycerols (TAGs; vegetable oils), as well as the mass transfer coefficients of oxygen at the gas- and water-lipid interfaces. The constants and coefficients were estimated by analyzing the change over time in the oxygen partial pressure or concentration in the closed container based on the mass balance equations of oxygen in the gas and liquid phases. The constant for water obtained by the method used in this study was in agreement with the previously reported value to confirm the validity of the method. The constants for lipids depended on the lipid type, and were higher in the order of fatty acid ester, fatty acid, and TAG. That is, the solubility of oxygen decreased in this order. For all lipids, the constant increased as the number of carbon atoms in the fatty acid chain increased. The constants for fatty acids and their esters were linearly correlated with the enthalpies of evaporation of the lipids. The mass transfer coefficients of oxygen at the gas-liquid interface were on the order of 10-5 m/s for water and Me dodecanoate and of 10-6 m/s for TAG (rapeseed oil). The coefficient at the water-lipid interface was on the order of 10-6 m/s. The Henry’s constants (solubility) and transfer rate of oxygen to the lipid phase, fatty acids, fatty acid esters, and triacylglycerols (TAG) were measured. The lipids solubilized three to five times more oxygen than water, and mass transfer rate of oxygen at gas- and water-lipid interfaces were almost same. The constants for fatty acids and fatty acid esters were linearly correlated to their enthalpies of evaporation, and this correlation is expected to be useful for estimating the Henry’s constants for other fatty acids and their esters.

Journal of Food Science published new progress about Cottonseed (oil). 106-32-1 belongs to class esters-buliding-blocks, name is Ethyl octanoate, and the molecular formula is C10H20O2, Formula: C10H20O2.

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

Roppongi, Takao published the artcileSolubility and mass transfer coefficient of oxygen through gas- and water-lipid interfaces, Recommanded Product: Methyl octanoate, the main research area is gas water lipid interface oxygen solubility mass transfer; Henry’s constant; fatty acid; mass transfer coefficient; oxidation; vegetable oil.

The solubility of oxygen and its transfer rate to the lipid phase play important roles in lipid oxidation, which affects the taste and safety of lipid-containing foods. In this study, we measured the Henry’s constants (solubility) of oxygen for fatty acids, fatty acid esters, and triacylglycerols (TAGs; vegetable oils), as well as the mass transfer coefficients of oxygen at the gas- and water-lipid interfaces. The constants and coefficients were estimated by analyzing the change over time in the oxygen partial pressure or concentration in the closed container based on the mass balance equations of oxygen in the gas and liquid phases. The constant for water obtained by the method used in this study was in agreement with the previously reported value to confirm the validity of the method. The constants for lipids depended on the lipid type, and were higher in the order of fatty acid ester, fatty acid, and TAG. That is, the solubility of oxygen decreased in this order. For all lipids, the constant increased as the number of carbon atoms in the fatty acid chain increased. The constants for fatty acids and their esters were linearly correlated with the enthalpies of evaporation of the lipids. The mass transfer coefficients of oxygen at the gas-liquid interface were on the order of 10-5 m/s for water and Me dodecanoate and of 10-6 m/s for TAG (rapeseed oil). The coefficient at the water-lipid interface was on the order of 10-6 m/s. The Henry’s constants (solubility) and transfer rate of oxygen to the lipid phase, fatty acids, fatty acid esters, and triacylglycerols (TAG) were measured. The lipids solubilized three to five times more oxygen than water, and mass transfer rate of oxygen at gas- and water-lipid interfaces were almost same. The constants for fatty acids and fatty acid esters were linearly correlated to their enthalpies of evaporation, and this correlation is expected to be useful for estimating the Henry’s constants for other fatty acids and their esters.

Journal of Food Science published new progress about Cottonseed (oil). 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, Recommanded Product: Methyl octanoate.

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

Mosayebnia, Mona published the artcileIn silico prediction of SARS-CoV-2 main protease and polymerase inhibitors: 3D-Pharmacophore modelling, Application In Synthesis of 55981-09-4, the main research area is tegobuvir SARS CoV2 protease polymerase inhibitor pharmacophore modeling; RdRp; SARS-CoV-2; docking study; pharmacophore modelling; protease 3Clpro.

The outbreak of the second severe acute respiratory syndrome coronavirus (SARS-CoV-2) known as COVID-19 has caused global concern. No effective vaccine or treatment to control the virus has been approved yet. Social distancing and precautionary protocols are still the only way to prevent person-to-person transmission. We hope to identify anti-COVID-19 activity of the existing drugs to overcome this pandemic as soon as possible. The present study used HEX and AutoDock Vina softwares to predict the affinity of about 100 medicinal structures toward the active site of 3-chymotrypsin-like protease (3Clpro) and RNA-dependent RNA polymerase (RdRp), sep. Afterwards, MOE software and the pharmacophore-derived query methodol. were employed to determine the pharmacophore model of their inhibitors. Tegobuvir () and compound showed the best binding affinity toward RdRp and 3Clpro of SARS-CoV-2 in silico, resp. Tegobuvir -previously applied for hepatitis C virus- formed highly stable complex with uncommon binding pocket of RdRp (E total: -707.91 Kcal/mol) in silico. In addition to compound, tipranavir () and atazanavir () as FDA-approved HIV protease inhibitors were tightly interacted with the active site of SARS-CoV-2 main protease as well. Based on pharmacophore modeling, a good structural pattern for potent candidates against SARS-CoV-2 main enzymes is suggested. Re-tasking or taking inspiration from the structures of tegobuvir and tipranavir can be a proper approach toward coping with the COVID-19 in the shortest possible time and at the lowest cost.

Journal of Biomolecular Structure and Dynamics published new progress about Computer program. 55981-09-4 belongs to class esters-buliding-blocks, name is 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, and the molecular formula is C12H9N3O5S, Application In Synthesis of 55981-09-4.

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