Tag: M.W=150-200

Godehard, Simon P. published the artcileProtein Engineering for Enhanced Acyltransferase Activity, Substrate Scope, and Selectivity of the Mycobacterium smegmatis Acyltransferase MsAcT, Safety of Benzyl acetate, the main research area is Mycobacterium acyltransferase protein engineering.

The highly efficient and versatile acyltransferase MsAcT from Mycobacterium smegmatis catalyzes aqueous acyl transfer reactions, enabling applications in environmentally friendly processes and enzyme cascades. We rationally designed several variants with up to 30-fold increased acyl transfer to hydrolysis ratios while mostly retaining initial activity. Variants exhibiting broader acyl-donor substrate scope and higher or inverted enantioselectivity were also designed. Alterations of the catalytic His-Asp pair decreased the activation of hydrolytic water, thereby increasing acyl transfer to hydrolysis ratios. This study demonstrates that targeting the disruption of water networks and manipulating the activation of nucleophiles are promising strategies for engineering promiscuous acyltransferase activities.

ACS Catalysis published new progress about Crystal structure. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Safety of Benzyl acetate.

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

Lunn, Richard D. J. published the artcileEncapsulation of Aromatic Compounds and a Non-Aromatic Herbicide into a Gadolinium-Based Metal-Organic Framework via the Crystalline Sponge Method, SDS of cas: 140-11-4, the main research area is encapsulation aromatic compound herbicide gadolinium MOF RUM2 crystalline sponge.

The crystalline sponge method (CSM) is a procedure that has the potential to remove the need to have good-quality single crystals of the target compound by soaking said compound into a crystalline metal-organic framework (MOF). To increase the range of compounds that can be employed with the CSM, a range of different MOFs must be investigated. In this study we have explored the use of a lanthanide-based MOF, RUM-2, recently shown to have potential as a CSM host. Specifically, we have successfully formed five novel inclusion complexes with the four aromatic guests: 2-phenylethanol, benzyl acetate, benzyl benzoate, and vanillin and the non-aromatic herbicide molinate. A detailed anal. of the effect of size on the positions guest mols. sit within the pores of the MOF was performed. The π···π, CH···π, hydrogen-bonding, and coordination host-guest and guest-guest interactions utilized in guest ordering were also investigated, and the disorder experienced by guest mols. was documented. Here we report five novel inclusion complexes within the crystalline sponge RUM-2, including the first com. herbicide to have its structure elucidated by the crystalline sponge method, molinate. A detailed investigation was performed into the effect of guest size on the position the guests sit within the MOF pores and the different intermol. interactions used for guest ordering.

Crystal Growth & Design published new progress about Crystal structure. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, SDS of cas: 140-11-4.

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

Malpani, Sakshi Kabra published the artcileA Greener Route for Synthesis of Fly Ash Supported Heterogeneous Acid Catalyst, Application of Benzyl acetate, the main research area is fly ash esterification Friedel Crafts alkylation structural thermal property.

Fly ash, a solid byproduct obtained from coal-fired thermal power plants, is basically a silico-aluminate material having varying minor amounts of other metal oxides. For suitable bulk utilization of this solid waste, a novel kind of solid acid catalyst has been successfully synthesized by employing microwave assisted greener route. For enhancing the efficacy, amorphous silica was extracted from fly ash in a cost-effective manner which was further chem. activated with H2SO4. Various anal. techniques were utilized to study physico-chem. properties of the as-prepared catalyst, while the catalytic activity was tested by a serious of microwave assisted esterification and Friedel-Crafts alkylation reactions under optimized reaction conditions. Higher yield of products attributes to the presence of significant number of Bronsted acidic sites on catalyst, also proved by Pyridine adsorbed FT-IR spectrum of catalyst. The catalyst was recovered and reused up to five reaction cycles with similar competence as in first run which deliberates its stability during the course of reaction.

Materials Today: Proceedings published new progress about Crystal structure. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Application of Benzyl acetate.

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

Le, Linh published the artcileUnexpected CNN-to-CC Ligand Rearrangement in Pincer-Ruthenium Precatalysts Leads to a Base-Free Catalyst for Ester Hydrogenation, Formula: C11H22O2, the main research area is bidentate pyridylbenzimidazolylidene ruthenacycle preparation catalyst ester hydrogenation; crystal structure bidentate pyridylbenzimidazolylidene ruthenacycle; mol structure bidentate pyridylbenzimidazolylidene ruthenacycle.

The authors report the conversion of CNN-pincer-Ru complexes Ru(CNN)HCl(CO) to a CC-chelated form Ru(CC)(PR3)2H(CO) on reaction with Na tert-butoxide and monodentate phosphines. When the phosphine is PPh3, cis-phosphine complexes form at room temperature, which convert to the trans isomer at elevated temperatures When the phosphine is tricyclohexylphosphine, only the trans-phosphine isomer is observed The CC-chelated complexes are active catalysts for the hydrogenation of esters, without the need for added base. The ligand structure-activity relation in CC-chelated complexes mirrors that in the precursor CNN-Ru complexes, potentially indicating a common catalytic mechanism. D. functional theory calculations establish a plausible mechanism for the CNN-to-CC rearrangement and demonstrate that this rearrangement is potentially reversible under the conditions of ester hydrogenation catalysis.

Organometallics published new progress about Crystal structure. 110-42-9 belongs to class esters-buliding-blocks, name is Methyl decanoate, and the molecular formula is C11H22O2, Formula: C11H22O2.

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

Wei, Yun published the artcileSynthesis and characterization of rare-earth metallate amido complexes bearing the 2-amidate-functionalized indolyl ligand and their application in the hydroboration of esters with pinacolborane, Product Details of C9H18O2, the main research area is indolylamido rare earth complex preparation crystal mol structure catalyst; rare earth metalate amido indolyl preparation hydroboration ester pinacolborane.

The reactions of 2-amidate-functionalized indolyl proligand 2-(2,6-iPr2C6H3NHC:O)C8H5NH (H2L) with [(Me3Si)2N]3RE(μ-Cl)Li(THF)3 were studied leading to the synthesis and characterization of a series of novel discrete trinuclear rare-earth metalate amido complexes containing the anion [{η1:(μ2-η1:η1):η1-LREN(SiMe3)2}3(μ3-Cl)]- and cation Li+(THF)4 (RE = Y(1a), Nd (1b), Sm (1c), Gd (1d), Dy (1e), Er (1f), and Yb (1g)) in good yields by silylamine elimination. All of the complexes were characterized by spectroscopic methods, elemental analyses and single-crystal x-ray diffraction, and complexes 1a and 1c were addnl. characterized by NMR spectroscopy. As proof of principle of their activity, these complexes were used as precatalysts for the hydroboration of esters using HBpin as the hydride source displaying high activity under neat and room temperature conditions. As a result, the ligand, ionic and multinuclear cooperative effects on catalytic activity were observed

Dalton Transactions published new progress about Crystal structure. 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, Product Details of C9H18O2.

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

Lubinska-Szczygel, Martyna published the artcileInfluence of steam cooking on pro-health properties of Small and Large variety of Momordica charantia, Quality Control of 110-42-9, the main research area is Momordica fruit steam cooking methanol extract octanal antioxidant.

Steam cooking is one of the most common preparations of Momordica charantia dishes. This method improved the tastiness of the fruits but at the same time, some changes occurred in the volatile and non-volatile parts of their food matrixes. In this study, for the first time these properties were correlated with the found substances affecting the bioactivity of this fruit. Two varieties of Momordica charantia were analyzed and compared. It was possible to differentiate both types of fruits using two-dimensional gas chromatog. and time-of-flight mass spectrometry (GC×GC-TOF-MS) as well as to assess botanical and geog. origin. In the case of volatiles, 212 chem. compounds were tentatively identified, which can be classified into seven chem. classes, such as aldehydes, alcs., esters, ketones, terpenes, hydrocarbons. Furthermore, 16 of them were quantified and calculated in terms of OAV and ROC values. Bioactive substances (polyphenols, flavonoids, tannins and flavanols) and the values of antioxidant capacities by four radical scavenging assays (DPPH, CUPRAC FRAP, ABTS) were determined and compared in water and methanol extracts of Chinese and Indian varieties. It was proven that steam cooked Chinese variety has greater value due to its flavor than Indian variety and consists more volatile, non-volatile and bioactive constituents with high antioxidant effect. The binding properties of polyphenols to HSA were relatively high in comparison with other plants. A strong pos. correlation of binding properties and bioactivity of Momordica charantia was estimated One of the volatiles, namely citronellol, has key importance in respect of antidiabetic effect of Momordicacharantia Chinese variety. This study indicates pro-health preponderance of Chinese variety over Indian variety and confirms that steam cooking is in lines with the canons of safe food preparation

Food Control published new progress about Cymbopogon nardus. 110-42-9 belongs to class esters-buliding-blocks, name is Methyl decanoate, and the molecular formula is C11H22O2, Quality Control of 110-42-9.

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

Li, Ang published the artcilePredictions of oxidation and autoignition of large methyl ester with small molecule fuels, Category: esters-buliding-blocks, the main research area is methyl ester surrogate fuel autoignition oxidation laminar flow reactor.

Biodiesel contains large Me esters including Me palmitate (MP), Me oleate (MO), Me linoleate (ML), etc. Long alkyl chains and asym. structures of these large Me esters lead to complexity in development of kinetic models. In this paper, surrogate fuels for large Me esters were proposed and developed. Surrogate models can be used to replace the detailed mechanisms of large Me esters in prediction of oxidation and autoignition properties. Key characteristics in combustion have non-linear relationships with fuel components in a neural network diagram, which indicates that surrogates with the same functional groups can exhibit similar combustion properties as large Me esters. In formulation of surrogate fuels, candidates consist of small species such as Me decanoate, n-hexadecane, Me trans-3-hexenoate, and 1, 4-hexadiene. To compare the oxidation properties, point-to-point exptl. validations were conducted in laminar flow reactor. Oxidation properties of surrogate and target fuels were in satisfactory agreements. Surrogate fuels not only successfully captured the discrepancies in reactivity of different Me esters, but also reproduced species concentrations of intermediate and products at various equivalence ratios. To test the performance in predicting autoignition characteristics, simulations based on surrogate models were compared with previous exptl. data. Surrogate models not only predicted ignition delay times at various pressure and equivalence ratios, but also reproduced the trends of apparent activated energy under different conditions. To sum up, oxidation and autoignition characteristics of large Me esters can be predicted by the combined kinetic model of small mol. compounds, which will have great potentials in the development of kinetic models for fuels with complicated mol. structures.

Fuel published new progress about Alternative fuels. 110-42-9 belongs to class esters-buliding-blocks, name is Methyl decanoate, and the molecular formula is C11H22O2, Category: esters-buliding-blocks.

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

Wang, Juan published the artcileSuccession patterns of aroma components during brewing process of broomcorn millet (Panicum miliaceum L.) Huangjiu, Name: Methyl octanoate, the main research area is broomcorn millet sotolon methional 3 methylbutanoic acid brewing process; Aging; Broomcorn millet Huangjiu; Chemometrics; Fermentation; Volatile compounds.

The flavor of Huangjiu is closely related to its brewing technol. Patterns of aroma component succession during the process of brewing broomcorn millet Huangjiu were investigated by solvent-assisted flavor evaporation combined with gas chromatog.-mass spectrometry and chemometrics. During fermentation, esters, alcs., acids, ketones, acetals, sulfur compounds, furans, and lactones were formed mostly in the chief fermentation stage; nitrogenous and phenolic compounds increased in the primary fermentation stage and then decreased; aldehydes decreased after fermentation started; and terpenes decreased after five days. During aging, acids, alcs., ketones, lactones, phenols, and nitrogenous and sulfur compounds first decreased and then increased; and esters, acetals, aldehydes, and furans always increased, while terpenes decreased continuously. Key odorants, including acetic acid, 3-methylbutanoic acid, 1,1-diethoxyethane, and 3-methylbutanal, were produced in large quantities in the primary fermentation stage; Et lactate, β-phenylethanol, and 2/3-methyl-1-butanol were generated in large quantities in the chief fermentation stage; and sotolon and methional were generated in the aging stage. This study is of great significance for the quality control of Huangjiu production

Food Research International published new progress about Brewing (process). 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, Name: Methyl octanoate.

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

Liao, Xueli published the artcileIdentification of key odorants responsible for cooked corn-like aroma of green teas made by tea cultivar Zhonghuang 1, Synthetic Route of 140-11-4, the main research area is Camellia green tea cooked corn aroma odorant responsible; Aroma recombination; Cooked corn-like aroma green tea; Dimethyl sulfide; GC-O; OAV; S-methylmethionine; Zhonghuang 1.

Fangping green tea (FPGT) produced by Zhonghuang 1 (C. sinensis var. sinensis cv. Zhonghuang 1), a new tea variety, has a classical cooked corn-like aroma, which is completely different from the green tea aroma. In order to illustrate the aroma characteristics of the green tea, the volatiles of FPGT was analyzed with gas chromatog.-mass spectrometry (GC-MS) and gas chromatog.-olfactometry (GC-O). The results showed that odor activity value (OAV) of di-Me sulfide (DMS) was 1195.21 and the odor intensity about DMS was 6.2 in FPGT. Aroma recombination experiment also confirmed the important contribution of DMS to cooked corn-like aroma. Aroma character impact (ACI) values of DMS in tea processed by Zhonghuang 1 and Fudingdabai were 72.01% and 37.86%, resp. This indicated that the high proportion of DMS was the dominant character of green tea with cooked corn-like aroma. In addition, the S-methylmethionine (SMM) content in fresh leaves of Zhonghuang 1 (0.21 mg/g) was significantly higher than that of Fudingdabai (0.16 mg/g), which was an important reason for high DMS content.

Food Research International published new progress about Camellia sinensis. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Synthetic Route of 140-11-4.

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

Zhu, Biying published the artcileAroma profile of Jinmudan tea produced using Camellia sinensis, cultivar Jinmudan using solid-phase microextraction, gas chromatography-mass spectrometry, and chemometrics, Computed Properties of 140-11-4, the main research area is Jinmudan tea Camellia aroma solid phase microextraction gas chromatog.

Jinmudan (JM) tea, produced using Camellia sinensis, cultivar JM, is popular among consumers because of its strong floral and fruity aroma. Aroma profiles of white, green, black, and oolong teas, which were obtained from JM and Tanyangcaicha (TY, control and indigenous variety), were investigated. Sensory evaluation was used to describe the quality characteristics of the tea samples. A combination of headspace solid-phase microextraction, gas chromatog.-mass spectrometry (HS-SPME/GC-MS), and chemometrics was used to extract and analyze the volatiles in the samples; 162 volatiles were identified and categorized on the basis of their chem. structures. The proportions of chem. categories differed among the teas. The same type of tea obtained from JM and TY differed significantly in concentrations and categories of volatiles. This study will improve our understanding of the profile of volatile compounds in JM teas and create a basis for investigating the biol. characteristics of JM teas.

European Food Research and Technology published new progress about Camellia sinensis. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Computed Properties of 140-11-4.

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