Month: December 2022

Machine learning-based prediction of toxicity of organic compounds towards fathead minnow was written by Chen, Xingmei;Dang, Limin;Yang, Hai;Huang, Xianwei;Yu, Xinliang. And the article was included in RSC Advances in 2020.Product Details of 763-69-9 The following contents are mentioned in the article:

Predicting the acute toxicity of a large dataset of diverse chems. against fathead minnows (Pimephales promelas) is challenging. In this paper, 963 organic compounds with acute toxicity towards fathead minnows were split into a training set (482 compounds) and a test set (481 compounds) with an approx. ratio of 1 : 1. Only six mol. descriptors were used to establish the quant. structure-activity/toxicity relationship (QSAR/QSTR) model for 96 h pLC₅₀ through a support vector machine (SVM) along with genetic algorithm. The optimal SVM model (R² = 0.756) was verified using both internal (leave-one-out cross-validation) and external validations. The validation results (q_int² = 0.699 and q_ext² = 0.744) were satisfactory in predicting acute toxicity in fathead minnows compared with other models reported in the literature, although our SVM model has only six mol. descriptors and a large data set for the test set consisting of 481 compounds This study involved multiple reactions and reactants, such as Ethyl 3-ethoxypropanoate (cas: 763-69-9Product Details of 763-69-9).

Ethyl 3-ethoxypropanoate (cas: 763-69-9) 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.Product Details of 763-69-9

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

Variations in the milk lipidomes of two dairy cow herds fed hay- or silage-based diets over a full year was written by Woelk, Michele;Milkovska-Stamenova, Sanja;Fedorova, Maria;Hoffmann, Ralf. And the article was included in Food Chemistry in 2022.Application of 26662-94-2 The following contents are mentioned in the article:

Bovine milk plays an important role in human nutrition and is one of the main products of dairy industry. Its composition changes in response to various factors including forage, which are rapidly reflected by the milk lipidome. Most cows receive a silage-based diet despite a recent trend towards more traditional husbandry relying on hay-feeding. Here, changes in the lipidome upon different animal diets were addressed by studying milk of cows from two different feeding regimes and associated seasonal variations over one year. Extracted lipids were analyzed by reversed-phase liquid chromatog. coupled online to high resolution mass spectrometry. Overall, 1302 lipid mol. species were identified including 1038 triacylglycerides (∼80%), whereas the remaining 20% were represented by a variety of species from twelve lipid classes. A semi-absolute quantitation of 264 lipid species showed diet- and season-induced variations in the milk lipidome with many odd chain triacylglycerides upregulated in hay milk. This study involved multiple reactions and reactants, such as (2R,9Z)-1-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)-3-(palmitoyloxy)propan-2-yl oleate (cas: 26662-94-2Application of 26662-94-2).

(2R,9Z)-1-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)-3-(palmitoyloxy)propan-2-yl oleate (cas: 26662-94-2) 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. 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.Application of 26662-94-2

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

Liquefaction of giant fennel (Ferula orientalis L.) in supercritical organic solvents: Effects of liquefaction parameters on product yields and character was written by Aysu, Tevfik;Kucuk, Mehmet Masuk. And the article was included in Journal of Supercritical Fluids in 2013.Synthetic Route of C7H14O3 The following contents are mentioned in the article:

Ferula orientalis L. stalks were liquefied in an autoclave in supercritical organic solvents (methanol, ethanol, 2-propanol, acetone and 2-butanol) with (NaOH, Na₂CO₃, ZnCl₂) and without catalyst at five different temperatures ranging from 240°C to 320°C. The amounts of solid (unconverted raw material), liquid (bio-oil) and gas produced, as well as the composition of the resulting liquid phase, were determined The effects of various parameters such as temperature, solvent, catalyst and ratio of catalyst on product yields were investigated. The results showed that conversion highly depends on the temperature and catalyst. The highest bio-oil yield (53.97%) was obtained using acetone with 10% zinc chloride at 300°C. The liquid products were extracted with benzene and di-Et ether. Some of selected liquid products (bio-oils) were analyzed by elemental, FT-IR and GC-MS. 126 different compounds were identified by GC-MS in the liquid products obtained in ethanol at 300°C. This study involved multiple reactions and reactants, such as Ethyl 3-ethoxypropanoate (cas: 763-69-9Synthetic Route of C7H14O3).

Ethyl 3-ethoxypropanoate (cas: 763-69-9) 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 C7H14O3

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

A Ru-Sn-Co/AlO(OH) as a highly efficient catalyst for hydrogenation of dimethyl adipate to 1,6-hexanediol in aqueous phase was written by Jiang, Hong-Bin;Jiang, Hai-Jun;Su, Ke;Zhu, De-Ming;Zheng, Xue-Li;Fu, Hai-Yan;Chen, Hua;Li, Rui-Xiang. And the article was included in Applied Catalysis, A: General in 2012.Computed Properties of C9H16O4 The following contents are mentioned in the article:

A Ru-Sn-Co/AlO(OH) catalyst was prepared by co-impregnation, calcination, and hydrothermal reduction The catalyst was well characterized by BET, x-ray diffraction, SEM-EDX, XPS, H₂-TPR, and Mossbauer spectroscopy, and then it was applied in the hydrogenation of di-Me adipate to 1,6-hexanediol in aqueous phase. It was found that the addition of cobalt could stabilize Sn(IV) and the cooperation between tin and cobalt could promote the reduction of ruthenium oxide. The γ-Al₂O₃ in the catalyst Ru-Sn-Co/γ-Al₂O₃ was transformed to AlO(OH) by the hydrothermal reduction It was suggested that the stabilized Sn(IV) and the interaction between the hydroxyl group on the surface of AlO(OH) and the solvent water played a key role to improve the conversion of di-Me adipate and the selectivity to 1,6-hexanediol. The conversion of di-Me adipate and the selectivity to 1,6-hexanediol were up to 98% and 95%, resp., under 5 MPa of H₂ and 493 K for 10 h. This study involved multiple reactions and reactants, such as Ethyl methyl adipate (cas: 18891-13-9Computed Properties of C9H16O4).

Ethyl methyl adipate (cas: 18891-13-9) 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 C9H16O4

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

Design and development of solid lipid nanoparticles of tazarotene for the treatment of psoriasis and acne: a quality by design approach was written by Sharma, Sanjay;Kanugo, Abhishek;Gaikwad, Juilee. And the article was included in Materials Technology (Abingdon, United Kingdom) in 2022.Name: Glyceryl monostearate The following contents are mentioned in the article:

Tazarotene is a third-generation retinoid applied topically for the treatment of psoriasis and acne. But its applications are limited due to its poor solubility and bioavailability. The current investigation aimed at the development of solid lipid nanoparticles (SLN) of Tazarotene for effective topical delivery. Depending on the solubility, stability, and compatibility lipids and surfactants were selected and further optimized. SLN of Tazarotene was developed by hot-homogenisation followed by probe sonication method. Preformulation studies were carried out and compatibility was confirmed with FTIR. The design of the expert, Box Behnken model was implemented and the surface response curve was plotted. Glyceryl monostearate was found to be the best lipid and a combination of tween-span as a surfactant for SLNs. The entrapment efficiency was found as 59% and the particle size of 470 nm was reported. The optimized batch showed the zeta potential of -10.3 Mv with a drug release of 59% to 77% after 6 h. This study involved multiple reactions and reactants, such as Glyceryl monostearate (cas: 31566-31-1Name: Glyceryl monostearate).

Glyceryl monostearate (cas: 31566-31-1) 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. 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: Glyceryl monostearate

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

Cell specific delivery of modified mRNA expressing therapeutic proteins to leukocytes was written by Veiga, Nuphar;Goldsmith, Meir;Granot, Yasmin;Rosenblum, Daniel;Dammes, Niels;Kedmi, Ranit;Ramishetti, Srinivas;Peer, Dan. And the article was included in Nature Communications in 2018.Related Products of 1224606-06-7 The following contents are mentioned in the article:

Therapeutic alteration of gene expression in vivo can be achieved by delivering nucleic acids (e.g., mRNA, siRNA) using nanoparticles. Recent progress in modified mRNA (mmRNA) synthesis facilitated the development of lipid nanoparticles (LNPs) loaded with mmRNA as a promising tool for in vivo protein expression. Although progress have been made with mmRNA-LNPs based protein expression in hepatocytes, cell specificity is still a major challenge. Moreover, selective protein expression is essential for an improved therapeutic effect, due to the heterogeneous nature of diseases. Here, we present a precision protein expression strategy in Ly6c+ inflammatory leukocytes in inflammatory bowel disease (IBD) induced mice. We demonstrate a therapeutic effect in an IBD model by targeted expression of the interleukin 10 in Ly6c+ inflammatory leukocytes. A selective mmRNA expression strategy has tremendous therapeutic potential in IBD and can ultimately become a novel therapeutic modality in many other diseases. This study involved multiple reactions and reactants, such as (6Z,9Z,28Z,31Z)-Heptatriaconta-6,9,28,31-tetraen-19-yl 4-(dimethylamino)butanoate (cas: 1224606-06-7Related Products of 1224606-06-7).

(6Z,9Z,28Z,31Z)-Heptatriaconta-6,9,28,31-tetraen-19-yl 4-(dimethylamino)butanoate (cas: 1224606-06-7) 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. 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.Related Products of 1224606-06-7

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

The diversity of effects of yeast derivatives during sparkling wine aging was written by Ignacia Lambert-Royo, Maria;Ubeda, Cristina;Del Barrio-Galan, Ruben;Sieczkowski, Nathalie;Miquel Canals, Joan;Pena-Neira, Alvaro;Gil i Cortiella, Mariona. And the article was included in Food Chemistry in 2022.Name: Isopentyl hexanoate The following contents are mentioned in the article:

This study shows the monitoring of the phys., chem. and sensorial changes that occur in the sparkling wine along 18 mo of aging due to different typol. yeast-derived products; dry inactivated yeast from Saccharomyces (Saccharomyces cerevisiae) and non-Saccharomyces (Torulaspora delbrueckii) yeast strains, yeast autolyzate, and yeast protein extract tested at two different doses. The addition of 5 g/hL yeast protein extract and inactivated yeast from T. delbrueckii helped to preserve esters in wines with 9 and 18 mo of aging on lees. The addition of yeast autolyzate achieved greater polysaccharide enrichment and gave rise to sparkling wines with the highest antioxidant activity. Effects on foaming properties were quite different depending on the aging time. Despite this, sparkling wines treated with 10 g/hL of yeast autolyzate and Optimum White generally exhibited the highest foamability and foam stability. Further experiments with higher doses are needed to observe clear effects on sensory profile. This study involved multiple reactions and reactants, such as Isopentyl hexanoate (cas: 2198-61-0Name: Isopentyl hexanoate).

Isopentyl hexanoate (cas: 2198-61-0) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Name: Isopentyl hexanoate

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

Development of a stir bar sorptive extraction method to study different beer styles volatile profiles. was written by Ruvalcaba, Jose E.;Duran-Guerrero, Enrique;Barroso, Carmelo G.;Castro, Remedios. And the article was included in Food Research International in 2019.Recommanded Product: 112-14-1 The following contents are mentioned in the article:

A stir bar sorptive extraction method coupled to Gas Chromatog.-Mass Spectrometry for the anal. of 52 volatile compounds in beer has been developed. The final optimized conditions were: 50 mL sample volume, 180 min extraction time, 25% (w/v) NaCl content and polydimethylsyloxane stir bars. Good values of linearity (R² > 0.99) were achieved for the calibration lines of all the compounds The limits of detection and quantification obtained were low enough for the determination of the volatile compounds in the samples and the recovery values obtained for the majority of the compounds were between 80% and 120%. The precision of the method was also studied and acceptable values for this type of extraction technique were obtained (<20%). 30 samples of different styles of beers (ale, lager, stout and wheat) were analyzed and their aromatic profile was characterised. Multivariate statistical techniques allowed the correct classification of the samples according to their volatile composition This study involved multiple reactions and reactants, such as Octyl acetate (cas: 112-14-1Recommanded Product: 112-14-1).

Octyl acetate (cas: 112-14-1) 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.Recommanded Product: 112-14-1

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

Gene expression programming strategy for estimation of flash point temperature of non-electrolyte organic compounds was written by Gharagheizi, Farhad;Ilani-Kashkouli, Poorandokht;Farahani, Nasrin;Mohammadi, Amir H.. And the article was included in Fluid Phase Equilibria in 2012.Safety of Ethyl 3-ethoxypropanoate The following contents are mentioned in the article:

The accuracy and predictability of correlations and models to determine the flammability characteristics of chem. compounds are of drastic significance in various chem. industries. In the present study, the main focus is on introducing and applying the gene expression programming (GEP) math. strategy to develop a comprehensive empirical method for this purpose. This work deals with presenting an empirical correlation to predict the flash point temperature of 1471 (non-electrolyte) organic compounds from 77 different chem. families. The parameters of the correlation include the mol. weight, critical temperature, critical pressure, acentric factor, and normal b.p. of the compounds The obtained statistical parameters including root mean square of error of the results from DIPPR 801 data (8.8, 8.9, 8.9 K for training, optimization and prediction sets, resp.) demonstrate improved accuracy of the results of the presented correlation with respect to previously-proposed methods available in open literature. This study involved multiple reactions and reactants, such as Ethyl 3-ethoxypropanoate (cas: 763-69-9Safety of Ethyl 3-ethoxypropanoate).

Ethyl 3-ethoxypropanoate (cas: 763-69-9) 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.Safety of Ethyl 3-ethoxypropanoate

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

One-Pot Successive Turbo Grignard Reactions for the Facile Synthesis of α-Aryl-α-Trifluoromethyl Alcohols was written by Kani, Ryunosuke;Inuzuka, Toshiyasu;Kubota, Yasuhiro;Funabiki, Kazumasa. And the article was included in European Journal of Organic Chemistry in 2020.SDS of cas: 898787-14-9 The following contents are mentioned in the article:

A novel straightforward one-pot methodol. for two successive turbo Grignard reagent (iPrMgCl·LiCl) reactions, was developed for a facile synthesis of α-aryl-α-trifluoromethyl alcs., motifs of value in pharmaceutical chem. The method displayed broad functional group tolerance, including reducible groups. Dual roles of iPrMgCl·LiCl were exploited in the tandem reaction with com. available iodoarenes or iodoheteroarenes and 2,2,2-trifluoroethyl trifluoroacetate. The process encompasses three successive reactions in a one-pot process: the iPrMgCl·LiCl-mediated iodine/magnesium-exchange reaction of iodoarenes or iodoheteroarenes; nucleophilic addition of various generated aryl or heteroarylmagnesium reagents to 2,2,2-trifluoroethyl trifluoroacetate; and the reduction of in-situ generated aryl trifluoromethyl ketones with iPrMgCl·LiCl, to produce the corresponding α-aryl or α-heteroaryl-α-trifluoromethyl alcs. bearing various substituents, including reducible functional groups in good to excellent yields. This study involved multiple reactions and reactants, such as Ethyl 4-(2,2,2-Trifluoroacetyl)benzoate (cas: 898787-14-9SDS of cas: 898787-14-9).

Ethyl 4-(2,2,2-Trifluoroacetyl)benzoate (cas: 898787-14-9) 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. 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.SDS of cas: 898787-14-9

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