Tag: 100-200

Chemoinformatics-Driven Design of New Physical Solvents for Selective CO₂ Absorption was written by Orlov, Alexey A.;Demenko, Daryna Yu.;Bignaud, Charles;Valtz, Alain;Marcou, Gilles;Horvath, Dragos;Coquelet, Christophe;Varnek, Alexandre;de Meyer, Frederick. And the article was included in Environmental Science & Technology in 2021.HPLC of Formula: 106-73-0 The following contents are mentioned in the article:

The removal of CO₂ from gases is an important industrial process in the transition to a low-carbon economy. The use of selective phys. (co-)solvents is especially perspective in cases when the amount of CO₂ is large as it enables one to lower the energy requirements for solvent regeneration. However, only a few phys. solvents have found industrial application and the design of new ones can pave the way to more efficient gas treatment techniques. Exptl. screening of gas solubility is a labor-intensive process, and solubility modeling is a viable strategy to reduce the number of solvents subject to exptl. measurements. In this paper, a chemoinformatics-based modeling workflow was applied to build a predictive model for the solubility of CO₂ and four other industrially important gases (CO, CH₄, H₂, and N₂). A dataset containing solubilities of gases in 280 solvents was collected from literature sources and supplemented with the new data for six solvents measured in the present study. A modeling workflow based on the usage of several state-of-the-art machine learning algorithms was applied to establish quant. structure-solubility relationships. The best models were used to perform virtual screening of the industrially produced chems. It enabled the identification of compounds with high predicted CO₂ solubility and selectivity toward other gases. The prediction for one of the compounds, 4-methylmorpholine, was confirmed exptl. This study involved multiple reactions and reactants, such as Methyl heptanoate (cas: 106-73-0HPLC of Formula: 106-73-0).

Methyl heptanoate (cas: 106-73-0) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.HPLC of Formula: 106-73-0

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

Aroma investigation of new and standard apple varieties grown at two altitudes using gas chromatography-mass spectrometry combined with sensory analysis was written by Chitarrini, Giulia;Dordevic, Nikola;Guerra, Walter;Robatscher, Peter;Lozano, Lidia. And the article was included in Molecules in 2020.Safety of Octyl acetate The following contents are mentioned in the article:

The aromatic profile of apples constitutes important information for the characterization and description of local products. Apple flavor is determined by perception in mouth and aroma; while the first is mainly defined by sugars and organic acids, aroma is a complex mixture of many volatile organic compounds (VOCs) whose composition is often specific to the variety. Headspace-solid phase microextraction gas chromatog. coupled with mass spectrometry (HS-SPME-GC-MS) allows for the detection of detailed information of volatile constituents. In this study, eleven apple varieties (Braeburn, Fuji, Gala, Golden Delicious, Coop 39-Crimson Crisp, Dalinette-Choupette, Fujion, CIV323-Isaaq, Coop43-Juliet, SQ159-Natyra, UEB32642-Opal) grown in two pedoclimatic locations at different altitudes in South Tyrol (Italy) (ca. 225 m and ca. 650 m a.s.l.) were investigated. Thirty-eight VOCs were identified and combined with sensory anal. results (from 11 trained panelist) to characterize the aroma of new and standard apple varieties with a special focus on pedoclimatic location differences. The study shows strong diversification of the varieties based on their VOC profiles and sensory attributes, as expected. Moreover, investigating how the pedoclimatic location at different altitudes can influence the apple aroma profile, we identified twelve VOCs involved in these differences and provided a deeper investigation on how different altitudes can influence the apple aroma composition and perceptions combining the anal. and sensory parameters. This study involved multiple reactions and reactants, such as Octyl acetate (cas: 112-14-1Safety of Octyl acetate).

Octyl acetate (cas: 112-14-1) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Safety of Octyl acetate

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

Combined application of ethylene and 1-methylcyclopropene on ripening and volatile compound production of ‘Golden’ papaya was written by Facanha, Rafaela Vieira;Spricigo, Poliana Cristina;Purgatto, Eduardo;Jacomino, Angelo Pedro. And the article was included in Postharvest Biology and Technology in 2019.Application of 106-73-0 The following contents are mentioned in the article:

Papaya (Carica papaya L.) fruit are consumed worldwide, but they are highly perishable. The effects of the application of 1-methylcyclopropene (1-MCP) with and without ethylene on ‘Golden’ papaya ripening and production of volatile compounds responsible for aroma. Fruit were treated with 2.5 μl L^-1 ethylene and/or 100 nL L^-1 of 1-MCP for 12 h as follows: I) control, II) ethylene, III) 1-MCP, IV) ethylene + 1-MCP (simultaneous), V) ethylene followed by application of 1-MCP at a 12 h interval and VI) ethylene + 1-MCP without any interval. Pulp firmness, skin color, skin chlorophyll content, skin and pulp carotenoids, ethylene production, respiratory activity, internal ethylene concentration (IEC), pectin Me esterase (PME) activity, 1-carboxylic acid-1-aminocyclopropane oxidase (ACC oxidase) activity and volatile compounds were measured. Fruit were stored at 22 °C, with anal. of volatile compounds performed until day 8 and all others until day 6. Fruit treated with only 1-MCP developed rubberized pulp. Fruit treated simultaneously with ethylene and 1-MCP reached desirable firmness for consumption by day 6. Co-application of 1-MCP + ethylene promoted chlorophyll degradation A consistent increase in ethylene production in 1-MCP-treated fruit above those observed in control fruit and in fruit treated with ethylene only was observed In relation to volatile compounds, linalool and its oxides were affected less by 1-MCP treatment, with or without ethylene, on days 2 and 6, and did not affect fruit flavor. This study involved multiple reactions and reactants, such as Methyl heptanoate (cas: 106-73-0Application of 106-73-0).

Methyl heptanoate (cas: 106-73-0) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Application of 106-73-0

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

Alternating Chain Growth Copolymerization of Isothiocyanates and Epoxides was written by Song, Lidao;Liu, Mingqi;You, Donglei;Wei, Wei;Xiong, Huiming. And the article was included in Macromolecules (Washington, DC, United States) in 2021.Application In Synthesis of Isopropylisothiocyanate The following contents are mentioned in the article:

A class of heteroatom polymers through anionic chain growth copolymerization of epoxides and isothiocyanates has been successfully obtained under mild conditions via initiation by a simple salt of lithium alkoxide. The resulting polymers have characteristics of controlled mol. weights and low dispersity with a well-defined backbone of carbonimidothioate repeat units (-OC(=N)S-) at 100% alternating degree, which have been confirmed in the ¹H-¹³C heteronuclear multiple bond correlation NMR spectrum and mass spectrum. Side reactions have been greatly suppressed in the copolymerization, and no more than 5% cyclic small mol. byproducts have been produced. We have revealed the special role of lithium bonds in regulating the alternating copolymerization of these two types of monomers, which are involved in activating isothiocyanates as well as binding the incoming monomers to the growing chain ends due to the especial coordination capability of lithium ions to multiple nucleophilic sites. The proposed mechanism of the alternating copolymerization process is supported by d. functional theory calculations Moreover, the copolymerization exhibits first-order kinetics with respect to the monomers and a quasi-living feature. Our strategy is expected to shed light on the incorporation of different types of cumulated double bonds as comonomers into polymer backbones, and the high availability of epoxides and isothiocyanates of various substitutions will forge the development of such kinds of heteropolymers. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Application In Synthesis of Isopropylisothiocyanate).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Application In Synthesis of Isopropylisothiocyanate

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

Alternating Chain Growth Copolymerization of Isothiocyanates and Epoxides was written by Song, Lidao;Liu, Mingqi;You, Donglei;Wei, Wei;Xiong, Huiming. And the article was included in Macromolecules (Washington, DC, United States) in 2021.Name: Isopropylisothiocyanate The following contents are mentioned in the article:

A class of heteroatom polymers through anionic chain growth copolymerization of epoxides and isothiocyanates has been successfully obtained under mild conditions via initiation by a simple salt of lithium alkoxide. The resulting polymers have characteristics of controlled mol. weights and low dispersity with a well-defined backbone of carbonimidothioate repeat units (-OC(=N)S-) at 100% alternating degree, which have been confirmed in the ¹H-¹³C heteronuclear multiple bond correlation NMR spectrum and mass spectrum. Side reactions have been greatly suppressed in the copolymerization, and no more than 5% cyclic small mol. byproducts have been produced. We have revealed the special role of lithium bonds in regulating the alternating copolymerization of these two types of monomers, which are involved in activating isothiocyanates as well as binding the incoming monomers to the growing chain ends due to the especial coordination capability of lithium ions to multiple nucleophilic sites. The proposed mechanism of the alternating copolymerization process is supported by d. functional theory calculations Moreover, the copolymerization exhibits first-order kinetics with respect to the monomers and a quasi-living feature. Our strategy is expected to shed light on the incorporation of different types of cumulated double bonds as comonomers into polymer backbones, and the high availability of epoxides and isothiocyanates of various substitutions will forge the development of such kinds of heteropolymers. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Name: Isopropylisothiocyanate).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Name: Isopropylisothiocyanate

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

Chemical-nutritional characteristics and aromatic profile of milk and related dairy products obtained from goats fed with extruded linseed was written by Bennato, Francesca;Ianni, Andrea;Innosa, Denise;Grotta, Lisa;D’Onofrio, Andrea;Martino, Giuseppe. And the article was included in Asian-Australasian Journal of Animal Sciences in 2020.Synthetic Route of C11H22O2 The following contents are mentioned in the article:

This study aimed to evaluate the effect of dietary integration with extruded linseed (EL) on fatty acid (FA) and aromatic profile of goat cheese after 60 (T60) days of ripening. Thirty goats were divided in two groups. The control group (CG) was fed with conventional diet, whereas the exptl. group (EL+) was fed with conventional diet supplemented with 10% of EL. Milk samples were collected on 30 and 60 days of trial to determinate chem.-nutritional composition and FA profile. At the end of experiment, six cheese-making sessions (3 for each group) were carried out using a pooled milk sample obtained from the 15 goats of each group. At 60 days of c, cheeses were analyzed for chem.-nutritional composition, FA and aromatic profile. An increase in the milk production, protein, fat and lactose were evidenced in EL+ goats. A reduction of somatic cells was observed in EL+ compared with the CG. No variation was observed for urea, casein levels content in milk sam- ples, and no changes in protein and lipid content were found for cheeses in the two experi- mental groups. Dietary supplementation with EL modified the FA profile of milk. There was a decrease in saturated FM and an increase in polyunsaturated FM. Chem. composition of T60 cheese did not differ between the two groups but a different FA profile was observed In T60 cheese obtained from EL+ milk, an increase in short-chain FA and a decrease in me- dium and long-chain FA were observed The EL diet led to cheeses with butanoic add 2 times higher compared to CG cheeses. This study involved multiple reactions and reactants, such as Isopentyl hexanoate (cas: 2198-61-0Synthetic Route of C11H22O2).

Isopentyl hexanoate (cas: 2198-61-0) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Synthetic Route of C11H22O2

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

Separation performance of capillary gas chromatography based on monohydroxycucurbit[7]uril incorporated into sol-gels as the stationary phase was written by He, Jing;Ran, Jingfeng;Yao, Jianmei;Zhang, Lingxue;Wang, Shasha;Wang, Yuan;Dong, Nan. And the article was included in Frontiers in Chemistry (Lausanne, Switzerland) in 2020.Computed Properties of C8H16O2 The following contents are mentioned in the article:

A novel monohydroxycucurbit[7]uril-based stationary phase for capillary gas chromatog. (GC) has been produced. For this, a capillary column coating was made using a sol-gel technique, incorporating synthesized monohydroxycucurbit[7]uril [(OH)Q[7]] and hydroxy-terminated poly(dimethylsiloxane) (OH-PDMS) into the sol-gel network through hydrolysis and polycondensation and chem. sol-gel grafting to the inner wall of a fused-silica tube. The preparation method may produce a coating with greater integrity, which gives the prepared column a higher separation efficiency and better selectivity toward analytes than a reported stationary phase based on neat cucurbit[n]urils (Q[n]s). The prepared (OH)Q[7]/PDMS column had 3,225 theor. plates per m determined using naphthalene at 120°C and exhibited a weakly polar nature. The (OH)Q[7]/PDMS column has high resolution over a broad spectrum of analytes with sym. peak shapes and exhibited better separation performance than com. capillary columns and reported columns based on neat Q[n]s that failed to resolve some critical analytes. In addition, the energy effect on the retention of analytes on the (OH)Q[7]/PDMS stationary phase was investigated. The results indicated that retention on the column was determined mainly by the enthalpy change. As demonstrated, the coating method can address some disadvantages that exist with the reported Q[n]s columns and combine the full advantages of (OH)Q[7] with the sol-gel coating method while achieving outstanding GC separation performance. This study involved multiple reactions and reactants, such as Methyl heptanoate (cas: 106-73-0Computed Properties of C8H16O2).

Methyl heptanoate (cas: 106-73-0) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Computed Properties of C8H16O2

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

Investigations into the Transfer Rate of Volatile Compounds in Dry Hopping Using an Octanol-Water Partition Coefficient Model was written by Haslbeck, Korbinian;Minkenberg, David;Coelhan, Mehmet. And the article was included in Journal of the American Society of Brewing Chemists in 2018.Recommanded Product: Methyl heptanoate The following contents are mentioned in the article:

Dry hopping is a powerful practice for imparting a multitude of flavors into beer. In this study, the influence of ethanol content, temperature, dosage, and hop variety on the transfer of essential oil during dry hopping was examined on a laboratory scale. The dry hopping was performed with nonalcoholic beer and beer containing 5.0 and 8.1% ethanol at 1 and 20°C using the hop varieties Tettnanger, Cascade, Hallertau Blanc, and Eureka. The results showed that the basic beer, hop variety, and dry hopping regime influence the composition of hop essential oil constituents in dry-hopped beer. The increase of the basic beer ethanol content, and especially the rise in temperature, led to a significant increase in the proportion of monoterpenes such as β-myrcene among hop volatiles in dry-hopped beers. Increasing hop dosage led to higher proportions of alc. compounds (linalool). Furthermore, the transfer rates of particular volatile hop-derived substances correlated with their octanol-water partition coefficients (log K_OW), which is a measure of the hydrophobicity of a compound, regardless of tested factors in dry hopping. Therefore, it is proposed that the log K_OW could be a useful model for the prediction of transfer rates of hop oil flavor components in dry hopping. However, the transfer rates of the alcs. linalool, geraniol, α-terpineol, and 1-octen-3-ol were higher than the expected levels from the log K_OW values. These compounds are reported present in bound form in hops and released during dry hopping. This study involved multiple reactions and reactants, such as Methyl heptanoate (cas: 106-73-0Recommanded Product: Methyl heptanoate).

Methyl heptanoate (cas: 106-73-0) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Recommanded Product: Methyl heptanoate

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

Lactobacillus plantarum ZJ316 improves the quality of Stachys sieboldii Miq. pickle by inhibiting harmful bacteria growth, degrading nitrite and promoting the gut microbiota health in vitro was written by Hang, Shuting;Zeng, Lingzhou;Han, Jiarun;Zhang, Zhongqin;Zhou, Qingqing;Meng, Xia;Gu, Qing;Li, Ping. And the article was included in Food & Function in 2022.Recommanded Product: Isopentyl hexanoate The following contents are mentioned in the article:

Microbial contamination and nitrite accumulation are the two major concerns in the quality control of fermented vegetables. In the present study, a lactic acid bacteria strain Lactobacillus plantarum ZJ316 (ZJ316) was inoculated during Stachys sieboldii Miq. (SSM) fermentation, and the effects of ZJ316 on the quality and bacterial community of SSM during fermentation were investigated. It was observed that ZJ316 could avoid the occurrence of the nitrite peak and maintain the nitrite content of fermented SSM at a low level. Gas chromatog.-mass spectrometry (GC-MS) results suggested that ZJ316 gave good flavor to the fermented SSM. 16S rDNA sequencing showed that Firmicutes was the dominant flora after ZJ316 inoculation, and the abundance of Proteobacteria decreased at the same time. At the level of the genus, SSM fermented by ZJ316 had a more obvious inhibitory effect on Pseudomonas on the 7^th day compared with the naturally fermented SSM. Addnl., the effect of ZJ316-fermented SSM on gut microbiota modulation was also evaluated using an in vitro fecal fermentation system. The results revealed that ZJ316 had a relatively subtle influence on intestinal communities with a potentially pos. impact on probiotics such as Lactobacillus and Bifidobacterium and a neg. impact on Enterobacteriaceae. Furthermore, SSM fermented by ZJ316 promoted the production of short-chain fatty acids (SCFAs) in the human intestine. These results demonstrate that L. plantarum ZJ316 can be used as a good starter in the fermentation process of pickles. This study involved multiple reactions and reactants, such as Isopentyl hexanoate (cas: 2198-61-0Recommanded Product: Isopentyl hexanoate).

Isopentyl hexanoate (cas: 2198-61-0) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Recommanded Product: Isopentyl hexanoate

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

Effects of selenate applied at two growth stages on the nutrient quality of Cardamine violifolia was written by Rao, Shen;Yu, Tian;Cong, Xin;Zhang, Weiwei;Zhu, Zhenzhou;Liao, Yongling;Ye, Jiabao;Cheng, Shuiyuan;Xu, Feng. And the article was included in Scientia Horticulturae (Amsterdam, Netherlands) in 2021.HPLC of Formula: 2253-73-8 The following contents are mentioned in the article:

Cardamine violifolia is an edible selenium (Se) hyperaccumulator that is mainly distributed in Enshi, China. Here, C. violifolia treated with different selenate concentrations (i.e., 0, 1.5, 20, and 80μmol L – 1) at the rosette and podding stages in a hydroponic experiment was carried out to investigate the effects of Se accumulation on the nutrient quality of this crop. The shoots accumulated high levels of Se at the rosette and podding stages, and the main Se forms at these stages were selenocystine and selenate. The effects of selenate on the chlorophyll, carotenoid, soluble sugar and protein, total free amino acid, and vitamin C contents of C. violifolia differed between the rosette and podding stages. Selenate treatment reduced total flavonoid and increased the total phenolic acid content at the podding stage. Total glucosinolate content decreased after selenate treatment at the rosette stage. Ten volatile compounds were found in C. violifolia shoots and the dominant volatile observed at the two stages was benzyl isothiocyanate. Selenate treatment demonstrated mixed influences on the volatile compounds For example, at the rosette stage, selenate treatment inhibited the emission of benzyl isothiocyanate and benzyl isocyanate but promoted the generation of 12,15-octadecadiynoic acid Me ester. Moreover, selenate treatment reduced the emission of iso-Bu isothiocyanate at the podding stage of C. violifolia. These results provide us novel insights into the comprehensive effects of Se on the nutrient quality of Se hyperaccumulators. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8HPLC of Formula: 2253-73-8).

Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.HPLC of Formula: 2253-73-8

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