Category: esters-buliding-blocks

Aniceto, Jose P. S. published the artcileMachine learning models for the prediction of diffusivities in supercritical CO2 systems, Application of Benzyl acetate, the main research area is carbon dioxide supercritical system machine learning diffusivity.

The mol. diffusion coefficient is fundamental to estimate dispersion coefficients, convective mass transfer coefficients, etc. Since exptl. diffusion data is scarce, there is significant demand for accurate models capable of providing reliable diffusion coefficient estimations In this work we applied machine learning algorithms to develop predictive models to estimate diffusivities of solutes in supercritical carbon dioxide. A database of exptl. data containing 13 properties for 174 binary systems totaling 4917 data points was used in the training of the models. Five machine learning algorithms were evaluated and the results were compared with three commonly used classic models. The best results were found using the Gradient Boosted algorithm which showed an average absolute relative deviation (AARD) of 2.58% (pure prediction). This model has five parameters: temperature, d., solute molar mass, solute critical pressure and solute acentric factor. For the same dataset, the classic Wilke-Chang equation showed AARD of 12.41%. The developed model is provided as command line program.

Journal of Molecular Liquids published new progress about Acentric factor. 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

Ren, Qing published the artcileThe changes of microbial community and flavor compound in the fermentation process of Chinese rice wine using Fagopyrum tataricum grain as feedstock, Quality Control of 123-29-5, the main research area is microbial community flavor compound Fagopyrum Chinese rice wine fermentation.

Chinese rice wine (CRW), a unique wine species, has a long history in China. Fagopyrum tataricum grain is a kind of high-quality grain with function in health care. The production of CRW wine with F. tataricum grain is beneficial to the development of new rice wine products. The flavor compounds and microorganisms in F. tataricum grain rice wine were studied. One hundred and seven volatile compounds (including 11 kinds of pyrazines that were rarely detected in wine) were detected and eight organic acids were measured. The microecol. diversity in the fermentation process of F. tataricum rice wine was studied. It was found that Bacillus was the main bacterial genus, and the unclassfied_O_Saccharomycetales was the main fungi. Correlation anal. between microorganism and flavor compound shown there are 838 correlations. A total of 108 microbial genera maybe participate in the formation of flavor compounds In addition, fourteen genera included unclassified_O_Saccharomycetales, Lactococcus, Pediococcus, Aspergillus, Cladosporium, Cochliobolus, Sporidiobolus, Pichia and Saccharomycopsis et al. were screened as functional significant microbiota and built correlation with flavor compounds This work provides a perspective for bridging the gap between flavor compound and microbial community, and advances our understanding of mechanisms in F. tataricum rice wine fermentation

Scientific Reports published new progress about Acetoanaerobium. 123-29-5 belongs to class esters-buliding-blocks, name is Ethyl nonanoate, and the molecular formula is C11H22O2, Quality Control of 123-29-5.

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

Wang, Yue published the artcileCoupling 16S rDNA Sequencing and Untargeted Mass Spectrometry for Milk Microbial Composition and Metabolites from Dairy Cows with Clinical and Subclinical Mastitis, Category: esters-buliding-blocks, the main research area is dairy milk microbial metabolite mastitis MS; dairy cow; mastitis; metabolomics; microbiota; milk.

The internal environment of the cow′s udder directly affects the udder health and milk quality. 16S rDNA sequencing and liquid chromatog.-mass spectrometry (LC-MS) methods were used to investigate the significant differences in milk microbial diversity and metabolites among cows that are healthy (H) and those suffering from subclin. mastitis (SM) and clin. mastitis (CM). Results uncovered more than 16 and 192 differently abundant microbiota at the phylum and genus levels, resp., and 673 different levels of metabolites enriched in 20 pathways in milk among the 3 groups. This study revealed the pos. relevance between Staphylococcus and Streptococcus and ceramide in milk from CM cows. Similarly, Acinetobacter and Corynebacterium were pos. associated with testosterone glucuronide and 5-methyl-tetrahydrofolate, in milk from SM cows. On the basis of the combined anal. of microbiome and metabolome, this study indicated that, apart from the exogenous pathogens, some beneficial symbiotic bacteria, such as Dietzia, Aeromicrobium, Alistipes, and Sphingobacterium, rarely reported in milk have been found to be significantly reduced during mastitis.

Journal of Agricultural and Food Chemistry published new progress about Acetoanaerobium. 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, Category: esters-buliding-blocks.

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

Roda, Amy published the artcileA new synthetic lure for management of the invasive giant African snail, Lissachatina fulica, COA of Formula: C9H10O2, the main research area is Lissachatina lure fruit flavor oil volatile compound biocontrol.

The goal of this study was to find a synthetic attractant that could aid in the eradication or management of the giant African snail (Lissachatina fulica). Field studies in Hawaii showed that a com. papaya-flavored oil attracted snails. Anal. of the odor profile of the oil identified a total of 22 chems., which comprised > 98% of the volatile compounds emitted by the oil. A synthetic blend was reconstructed that mirrored the release rates of the papaya oil odors. In laboratory and field bioassays, the reconstructed blend, applied to cotton wicks as water and canola oil or water and mineral emulsions, attracted more snails than the water and oil emulsion control wicks. Field studies in Hawaii and Florida showed that the reconstructed blend in an oil emulsion was not attractive to non-target species such as butterflies or bees. The snails were attracted from distances > 1 m and entered traps baited with the attractant emulsion. When tested in the South Florida giant African snail eradication program, direct ground application of the reconstructed papaya-flavored oil emulsion increased the number of snails killed by over 87% compared to water emulsion controls. Integrating tactics using the synthetic papaya oil attractant into control measures should increase the effectiveness of eradication and management programs.

PLoS One published new progress about Achatina fulica. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, COA of Formula: C9H10O2.

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

Liu, Fangtian published the artcileChanges of terpenoids and other volatiles during alcoholic fermentation of blueberry wines made from two southern highbush cultivars, Product Details of C10H20O2, the main research area is terpenoid blueberry wine volatile alc fermentation.

Aroma is one of the most important aspects to determine the wine quality and its market value. Changes of volatile profiles and terpenoid precursors were monitored for blueberry wines made from two different southern high bush cultivars (Misty and O’Neal) during the alc. fermentation using solid phase microextraction-gas chromatog.-quadrupole time of flight-mass spectrometry (SPME-GC-QTOF-MS). Volatile profile of the wine significantly changed as a function of time during fermentation, which was due to the gradual reduction of C6 compounds, extraction and hydrolysis of terpenoids precursors, and generation of esters and alcs. Misty samples contained higher amount of terpenoids compared to the O’Neal samples during the whole fermentation process. E-asarone and Me isoeugenol were only detected in O’Neal samples. Myrtenol, E-carveol and borneol were presented mainly as bound form, while other terpenoids mainly as free form in the final wines, indicating the different resistance of the glycoside to acid hydrolysis during fermentation

LWT–Food Science and Technology published new progress about Acid hydrolysis. 106-32-1 belongs to class esters-buliding-blocks, name is Ethyl octanoate, and the molecular formula is C10H20O2, Product Details of C10H20O2.

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

Howard, Micheal Seamus published the artcileEthanolic gasoline, a lignocellulosic advanced biofuel, Related Products of esters-buliding-blocks, the main research area is ethanolic gasoline lignocellulosic biofuel combustion.

In line with society’s growing need for a more sustainable fuel economy, various biofuels and alternative fuel formulations are being proposed. In this work, the ignition quality of a novel tricomponent advanced biofuel is examined Et levulinate, di-Et ether and ethanol (EL/DEE/EtOH) result from the acid hydrolysis of lignocellulosic biomass in ethanol. In this paper, derived cetane numbers are established for a wide variety of blend fractions, using Ignition Quality Tester measurements. EL/DEE/EtOH mixtures of ignition quality equivalent to market diesel and gasoline are identified. One mixture of Motor Octane Number (MON) 88.3 and Research Octane Number (RON) 95 is selected for detailed anal. in comparison to a FACE (Fuels for Advanced Combustion Engines) gasoline, as a representative of petroleum-derived gasoline, with a similar MON of 88.8 and RON of 94.4. Ignition delay times for the EL/DEE/EtOH gasoline fuel are measured using a rapid compression machine at equivalence ratios of 0.5 and 1.0, at 20 and 40 bar over a temperature range of 600-900 K. The data shows that at temperatures >800 K, the EL/DEE/EtOH fuel behaves quite similar to the petroleum derived gasoline, FACE-F. However, the tri-component biofuel shows a dramatically truncated extent of ignition reactivity at lower temperatures, with a total absence of low-temperature chem. or neg. temperature coefficient (NTC) region; in this respect this biofuel blend is very different to conventional gasoline. To understand this differing behavior, a detailed chem. kinetic model is developed. Anal. of this model shows that ignition of the EL/DEE/EtOH blend is inhibited by the dominance of alkyl radical elimination pathways, which leads to a heightened rate of production of HO2 radicals. At high temperatures, while both fuels maintain a similar ignition delay time, the sensitivity anal. and the radical pool population shows that a different combustion mechanism is occurring for the EL/DEE/EtOH fuel, where Et and Me radicals play a much more prominent role in the ignition process.

Sustainable Energy & Fuels published new progress about Acid hydrolysis. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Related Products of esters-buliding-blocks.

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

Ariba, Houda published the artcilePhysicochemical Properties for the Reaction Systems: Levulinic Acid, Its Esters, and γ-Valerolactone, Recommanded Product: Ethyl 4-oxopentanoate, the main research area is physicochem property reaction system levulinate ester valerolactone.

The use of biomass, particularly, a second-generation one, as a renewable raw material is crucial to sustain the chem. industry. To favor the development of such processes, one needs to make a cost evaluation, which requires the knowledge of process thermodn. and kinetics. In this paper, measurements of different physicochem. properties (viscosity, d., refractive index, and sp. heat capacity) were done for the systems: hydrogenation of levulinic acid or its esters to γ-valerolactone. From those physicochem. measurements, it was possible to extract the ones of the intermediates and perform a thermodn. model assessment by using Aspen Plus. The Redlich-Kwong-Soave cubic equation of state and Benedict-Webb-Rubin-Starling virial equation of state are suitable to describe these chem. systems.

Journal of Chemical & Engineering Data published new progress about Biomass refining. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Recommanded Product: Ethyl 4-oxopentanoate.

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

Tian, Hongli published the artcileSulfated ordinary clay for acid-catalyzed conversion of biomass derivatives: Impacts of abundance and types of acidic sites on catalytic performance, COA of Formula: C7H12O3, the main research area is sulfated ordinary clay catalyst calcination furfuryl alc ethyl levulinate; physiochem property.

Ordinary clay is an abundantly available material for use as catalyst support. In this study, sulfuric acid was used as sulfonating agent to prepare sulfated clay-based super-acid catalyst. The effects of sulfuric acid concentration and calcination temperature on physiochem. properties, interaction of sulfur species with the oxides in clay, distribution of Bronsted acid sites and Lewis acid sites were characterized with XRD, pore structure anal., FT-IR, elemental anal., NH3-temperature programmed desorption (NH3-TPD) and Pyridine-DRIFTS etc. The catalytic performance of different catalysts was evaluated by conversion of furfuryl alc. (FA) to Et levulinate (EL). The results showed that sulfuric acid reacted with alumina in clay to form Al2(SO4)3, thus changing structure and crystal phase of the catalyst. Increasing calcination temperature enhanced the interaction between sulfate species and clay, the retaining of sulfur on clay surface and the formation of more Bronsted acid sites while less Lewis acid sites. In addition, balanced distribution of the acidic sites was crucial for selective conversion of FA to EL. Over the clay catalyst impregnated with 4 M H2SO4 and calcined at 300°C, the yield of EL could reach 90%. The catalyst was not stable in polar solvent like ethanol due to leaching of sulfur species, while in aprotic solvent like DMSO, the catalyst maintained a good catalytic stability.

Journal of Solid State Chemistry published new progress about Bronsted acidity. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, COA of Formula: C7H12O3.

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

Gu, Jing published the artcileHyper-cross-linked polymer based carbonaceous materials as efficient catalysts for ethyl levulinate production from carbohydrates, Product Details of C7H12O3, the main research area is carbohydrate ethyl levulinate hypercrosslinked polymer carbonaceous material catalyst.

Catalytic upgrading of biomass into various alkyl levulinates has gained wide attention recently. Particularly, Et levulinate (EL) shows great potential as gasoline additive and substitute of biodiesel fuels. Hypercrosslinked organic polymer based carbonaceous materials with large surface areas and strong Bronsted acidity were synthesized and developed as highly efficient solid acids for the direct transformation of biomass derived carbohydrates into biofuel candidate Et levulinate (EL). Controllable Brunauer-Emmett-Teller (BET) surface area and proper acid d. of as-prepared carbonaceous materials were demonstrated to be crucial for the successful synthesis of EL. Among the catalysts, α,α’-dichloro-p-xylene derived hypercrosslinked organic carbocatalyst (HDS-3.6) exhibited the best results for EL formation with the optimal yield of 70.3% at a temperature of 423 K, which was comparable with those of frequently-used solid acids such as com. Amberlyst-15 and metal oxides. The presence of DMSO (DMSO) in the catalytic system facilitated the production of intermediates 5-hydroxymethylfurfural (HMF) and 5-ethoxymethylfurfural. Notably, the hypercrosslinked organic polymers with abundant Bronsted acid sites were much more effective in the catalytic synthesis of levulinate esters from ketoses. The prepared hypercrosslinked organic polymers were efficient and robust catalysts to produce various biomass derived alkyl levulinates with high activity and stability.

Journal of Chemical Technology and Biotechnology published new progress about Bronsted acidity. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Product Details of C7H12O3.

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

Ganji, Parameswaram published the artcileConversion of levulinic acid to ethyl levulinate using tin modified silicotungstic acid supported on Ta2O5, Computed Properties of 539-88-8, the main research area is levulinic acid esterification tin modified silicotungstic acid catalyst property.

Tin modified silicotungstic acid (STA) deposited on Ta2O5 was explored as suitable catalyst for the conversion of levulinic acid to Et levulinate. The microwave synthesized catalysts of varying amounts of STA were characterized by N2 adsorption, powder XRD, FT-IR, FE-SEM, XPS, pyridine-FT-IR, TGA-DTA and NH3-TPD. Among the synthesized catalysts, 50% Sn2STA/Ta2O5 catalyst exhibited excellent catalytic activity for the esterification of levulinic acid providing 78% of Et levulinate yield and stable recyclability up to three cycles. The rate of esterification was 6.6 × 10-3 mol/g/min, which is significantly higher compared to reported values in the open literature. Mechanistic investigations revealed that the high catalytic activity was influenced by the presence of appropriate Bronsted acid sites, surface area and porosity.

Catalysis Communications published new progress about Bronsted acidity. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Computed Properties of 539-88-8.

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