Esters-buliding-blocks

O’Reilly, Kirk T. published the artcileOxygen-Containing Compounds Identified in Groundwater from Fuel Release Sites Using GCxGC-TOF-MS, SDS of cas: 111-11-5, the main research area is oxygen containing compound groundwater fuel release wastewater treatment.

This research continues a 7-yr study of oxygen-containing organic compounds present in groundwater at gasoline and diesel fuel release sites that are quantified as diesel-range “”total petroleum hydrocarbons”” when measured by methods utilizing solvent extraction and gas chromatog. Two-dimensional gas chromatog. with time-of-flight mass spectrometry was used to tentatively identify 1162 compounds (TICs) in 113 groundwater samples from 22 sites. Samples were collected from wells either upgradient of the release, within the source zone, or downgradient of the source but still within the plume of dissolved organics associated with release. The names and formulas of all TICs found in samples from each well type are presented and the results from upgradient and downgradient locations are compared in detail. About 60% of the most frequently detected TICs in downgradient wells were also detected in upgradient wells. A majority of these were saturated straight chain alkyl acids, commonly called fatty acids, or fatty acid esters. Of TICs frequently detected in downgradient wells but not upgradient wells, over half were branched alkyl alcs. Hierarchical cluster anal. results suggest about 80% of the chem. composition of downgradient samples is more similar to upgradient samples than to source area samples. Results suggest some TICs may not be petroleum degradation intermediates but compounds synthesized by microorganisms through secondary production and carbon cycling.

Groundwater Monitoring & Remediation published new progress about Biodegradation. 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, SDS of cas: 111-11-5.

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

Al Farraj, Dunia A. published the artcilePolynuclear aromatic anthracene biodegradation by psychrophilic Sphingomonas sp., cultivated with tween-80, Quality Control of 140-11-4, the main research area is polynuclear aromatic anthracene Sphingomonas tween 80 biodegradation; Anthracene; Optimization; PAHs; Sphingomonas; Tween-80.

Anthracene is a low mol. weight polynuclear aromatic hydrocarbons (PAHs) being identified as a precedence toxic contaminant in the ecosystem. Thus, the present work was designed to evaluate anthracene biodegradation efficiency by selected marine bacteria. From the marine isolates, the most effective anthracene biodegrading strain was identified as Sphingomonas sp., KSU05. Time course batch growth results indicated that the isolate KSU05 was capable of surviving up to 500 mg/L of anthracene. The influence of various nutrient sources were screened for enhanced growth and pyrene degradation, based on results glucose and tween-80 were used for further optimization studies. Batch exptl. anal. showed maximum biodegradation (70.5%) of anthracene (50 mg/L) with enhanced survival of Sphingomonas sp. KSU05 was observed at 96 h of cultivation. Box-Behnken design optimization results showed that the culture conditions enhanced the anthracene biodegradation (90.0%) at pH 7.0, 0.3 mM of tween-80 concentration, and 5.5% of glucose concentration In addition, the isolate Sphingomonas sp. KSU05 was found to rapidly degrade anthracene within 96 h. The anthracene intermediates was analyzed using Gas chromatog. mass spectrophotometer (GC-MS). Overall, this research shown that the Sphingomonas sp., cultivated with suggested optimum conditions could provide an effective prospective for the degradation of anthracene from contaminated environment.

Chemosphere published new progress about Biodegradation. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Quality Control of 140-11-4.

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

Goswami, Lalit published the artcileAnthracene Biodegradation by Oleaginous Rhodococcus opacus for Biodiesel Production and Its Characterization, Formula: C23H46O2, the main research area is anthracene biodegradation oleaginous Rhodococcus biodiesel production characterization.

This study examined biodegradation of anthracene, a model low mol. weight polycyclic aromatic hydrocarbon (PAH) by oleaginous Rhodococcus opacus for biodiesel production Specific biomass growth rate (μ) in the range of 0.0075-0.0185/h could be attained over the initial anthracene concentration (50-500 mg/L), along with 68-70.6% (weight/weight) lipid accumulation. 10% (volume/volume) inoculum size showed more pos. effect than 5% (volume/volume) inoculum size on both anthracene biodegradation efficiency and lipid accumulation by R. opacus. 1H and 13C NMR (NMR) spectroscopy of the bacterial lipids revealed 82.25% saturated fatty acids content. The transesterified bacterial lipids predominantly consisted of Me palmitate (32.4%) and Me stearate (25.9%) as the major fatty acid Me esters (FAMEs). Overall, this study revealed a very good potential of the bacterium for the production of biodiesel from PAH-containing wastewater.

Polycyclic Aromatic Compounds published new progress about Biodegradation. 929-77-1 belongs to class esters-buliding-blocks, name is Methyl docosanoate, and the molecular formula is C23H46O2, Formula: C23H46O2.

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

Patel, Dhananjay I. published the artcileEvaluation of new, sputtered carbon solid-phase microextraction fibers with multi-functional group test mixture, Category: esters-buliding-blocks, the main research area is sputtered carbon solid phase microextraction fiber multifunctional test mixture.

We report the first fabrication of sputtered carbon, solid-phase microextraction (SPME) fibers. These fibers have competitive extraction capabilities compared with the com. carbon wide range (CWR) SPME fiber. This report also includes a demonstration of a newly developed SPME test mix that includes 15 different compounds with a wide range of functional groups and chem. properties. The fiber fabrication process involves sputtering carbon onto fused silica fibers, and the effects of throw distance on the morphol. of the carbon coatings were studied. Four different carbon coating thicknesses were evaluated, with PDMS added as a stationary phase. These fibers were characterized with multiple anal. techniques, including SEM (SEM), XPS, water contact angle (WCA) goniometry, as well as headspace (HS) and direct immersion (DI)-SPME-GC-MS. The best (11.5 μm) sputtered carbon SPME fibers, with and without PDMS, were evaluated using the new evaluation mix and compared with the com. CWR fiber and a previously sputtered/developed silicon fiber. The new probe mix helped elucidate differences among the fibers, which would have been missed by current com. test mixes. The sputtered carbon SPME fibers showed similar functional group selectivity as com. CWR fibers. However, the sputtered carbon fibers showed higher responses per volume compared with the com. CWR fiber, indicating the porous morphol. of the sputtered carbon has the ability to overcome large phase thickness/volume discrepancies and increase the relative recovery for various compounds

Separations published new progress about Binding energy. 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, Yantao published the artcileTransfer hydrogenation of furfural to furfuryl alcohol over modified Zr-based catalysts using primary alcohols as H-donors, Application of Ethyl 4-oxopentanoate, the main research area is hydrogenation furfural furfuryl alc modified zirconium catalyst green.

Catalytic transfer hydrogenation is gaining increasing attention as a promising alternative to conventional hydrogenation with H2. In present work, a series of modified Zr-based catalysts were synthesized and tested for furfural catalytic transfer hydrogenation into furfuryl alc. (FA). The results indicated that more than 13% of furfural conversion and furfuryl alc. yield could be achieved with modified zirconium hydroxide (mZrH) at 140°C when compared with zirconium hydroxide (ZrH) using ethanol as H-donor and solvent in continuous flow regime, and the activity could be further enhanced by increasing the reaction temperature or Ru loading on the catalyst. The best result of 92% furfural conversion with ∼99% FA selectivity was obtained at 150°C with 6% Ru/mZrH as catalyst, and the productivity of FA is 5.5 mmol g-1 h-1 which is 2 times higher than that reported with ZrH in batch. Moreover, long-term stability study of the catalysts indicated that 6% Ru/mZrH not only performs a better activity, but also a better stability than 6% Ru/ZrH. Characterizations of the catalysts by BET, XRD, EA, IR, SEM-EDS, XPS and CO2 adsorption indicated that zirconium hydroxide (ZrH) was successfully modified with hydroxylamine, leading to significantly change of its morphol. and basic sites. And the deactivation of the catalysts was due to both the leaching of Ru and the deposition of side-products on its surface.

Molecular Catalysis published new progress about Binding energy. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Application of Ethyl 4-oxopentanoate.

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

Wang, Meilin published the artcileEnhanced Selectivity and Stability of Cu/SiO2 Catalysts for Dimethyl Oxalate Hydrogenation to Ethylene Glycol by Using Silane Coupling Agents for Surface Modification, Computed Properties of 623-50-7, the main research area is selectivity copper SiO2 catalyst dimethyl oxalate hydrogenation.

Hydrogenation of di-Me oxalate (DMO) is one of the key steps in the route of ethylene glycol (EG) production from syngas. Cu/SiO2 catalysts prepared by ammonia evaporation method are reported to present excellent catalytic performance for selective DMO hydrogenation and used in the industry. However, the selectivity of EG and the long-term stability of catalysts still require improvement. Herein, we used silane coupling agents to selectively and efficiently cover the surface isolated hydroxyl groups on Cu/SiO2 by post-grafting method, which exhibited a prominently promotion effect on reducing the selectivity of byproducts (C3-C4OH) and enhancing the catalytic stability. Characterization results suggested that both the d. and intensity of the basic sites decreased significantly after the coverage of hydroxyl groups, resulting in the reduction of C3-C4OH selectivity, thus increasing the EG selectivity. Meanwhile, the coke and blocked pore structure induced by excessive Me glycolate (MG) adsorption and polymerization on surface hydroxyl groups could be the main reason for catalyst deactivation. After the surface modification, MG desorption was greatly facilitated, which improved the stability in DMO hydrogenation. Furthermore, the effect of different silane coupling agents ended with amino or alkyl groups was studied as well. These insights concerning the effect of covering hydroxyl groups by silane coupling agents on selectivity and stability may provide practical guidance for the design and fabrication of Cu/SiO2 catalysts for the industrial application.

Industrial & Engineering Chemistry Research published new progress about Binding energy. 623-50-7 belongs to class esters-buliding-blocks, name is Ethyl 2-hydroxyacetate, and the molecular formula is C4H8O3, Computed Properties of 623-50-7.

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

Fiorio, Jhonatan Luiz published the artcileReusable Heterogeneous Tungstophosphoric Acid-Derived Catalyst for Green Esterification of Carboxylic Acids, HPLC of Formula: 111-11-5, the main research area is tungstophosphoric catalyst green esterification carboxylic acid ester.

Solid acid catalysts are environmentally friendly alternatives to the use of mineral acids in a range of applications, including the esterification of carboxylic acids. Here, a phosphorus- and nitrogen-doped, carbon-modified, fully heterogeneous solid acid catalyst was prepared by pyrolysis of a mixture of melamine and tungstophosphoric acid at 250, 500, and 750 °C under a nitrogen atm. provided. The structure of the different catalysts was evaluated by surface area measurements, XRD, XPS, Raman spectroscopy, elemental anal., and electron microscopies. Pyrolysis at 500 °C created complex solid materials with larger surface area and significantly higher acidity, which can be attributed to WO3 formation on a heteroat. (N,P)-carbon structure. The 500 °C-treated heterogeneous catalysts showed remarkably better activity for esterification of palmitic acid and were thus applied in the esterification of a broad range of carboxylic acids with good overall yields. Furthermore, the solid acid catalyst can be easily recovered and recycled up to eight times without significant loss of activity with no leaching of species to the reaction mixture

ACS Sustainable Chemistry & Engineering published new progress about Binding energy. 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, HPLC of Formula: 111-11-5.

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

Lanaya, Salaheddine published the artcileSulfated Well-Defined Mesoporous Nanostructured Zirconia for Levulinic Acid Esterification, Safety of Ethyl 4-oxopentanoate, the main research area is sulfated zirconia mesoporous nanostructure catalyst levulinic acid esterification.

Well-organized zirconia (ZrO2) nanoparticles forming mesoporous materials were successfully synthesized via a facile micelle-templating method using cetyltrimethylammonium bromide as a structure-directing template to control the nucleation/growth process and porosity. The systematic use of such a surfactant in combination with a microwave-assisted solvothermal (cyclohexane/water) reaction enabled the control of pore size in a narrow-size distribution range (3-17 nm). The effect of solvent mixture ratio on the porosity of the synthesized oxide was determined, and the controlled growth of zirconia nanoparticles was confirmed by means of powder X-ray diffraction, small-angle X-ray scattering, transmission electron microscopy, selected area electron diffraction, high-resolution transmission electron microscopy, XPS, thermogravimetric anal., and Fourier transform IR spectroscopy as well as N2 physisorption isotherm anal. Then, the as- prepared nanostructured zirconia oxides were treated with sulfuric acid to have sulfated samples. The catalytic performances of these mesoporous zirconia nanoparticles and their sulfated samples were tested for levulinic acid (LA) esterification by ethanol, with quant. conversions of LA to Et levulinate after 8 h of reaction.

ACS Omega published new progress about Binding energy. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Safety of Ethyl 4-oxopentanoate.

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

He, Zhiwei published the artcileEncapsulation of heteropolyacids within hollow microporous polymer nanospheres for sustainable esterification reaction, Product Details of C9H10O2, the main research area is heteropolyacid microporous polymer nanosphere catalyst esterification reaction.

Herein, the Keggin structural phosphotungstic acid (HPW) has been successfully encapsulated within hollow microporous polymer nanospheres (H-MPNs) by a “”ship-in-bottle”” approach. The H-MPNs are formed by self-assembly induced by hyper-crosslinking of polylactide-b-polystyrene (PLA-b-PS). The obtained catalysts (HPW@H-MPNs) exhibit more sustainable availability than the previously reported HPW-supported catalysts in esterification reaction. This excellent sustainability can be attributed to the stable microporous channels in H-MPNs which are smaller than the mol. size of HPW, thereby effectively preventing the HPW from leaking out. Moreover, such catalysts also perform well in terms of catalytic activity and universality because of the combination of a hollow structure in the interior and permeable pore channels in the shells. This type of polymer carrier and general encapsulation method may provide a new strategy for developing more sustainable catalysts for various chem. reactions.

Reactive & Functional Polymers published new progress about Binding energy. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Product Details of C9H10O2.

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

Tachoua, Wafa published the artcileAn in-silico evaluation of COVID-19 main protease with clinically approved drugs, HPLC of Formula: 55981-09-4, the main research area is SARSCoV2 main protease in silico evaluation clin approved drug; ADMET; Approved drugs; COVID-19 main protease; MD simulation; Molecular docking; SwissDock.

A novel strain of coronavirus, namely, SARS-CoV-2 identified in Wuhan city of China in Dec. 2019, continues to spread at a rapid rate worldwide. There are no specific therapies available and investigations regarding the treatment of this disease are still lacking. In order to identify a novel potent inhibitor, we performed blind docking studies on the main virus protease Mpro with eight approved drugs belonging to four pharmacol. classes such as: anti-malarial, anti-bacterial, anti-infective and anti-histamine. Among the eight studied compounds, Lymecycline and Mizolastine appear as potential inhibitors of this protease. When docked against Mpro crystal structure, these two compounds revealed a min. binding energy of -8.87 and -8.71 kcal/mol with 168 and 256 binding modes detected in the binding substrate pocket, resp. Further, to study the interaction mechanism and conformational dynamics of protein-ligand complexes, Mol. dynamic simulation and MM/PBSA binding free calculations were performed. Our results showed that both Lymecycline and Mizolastine bind in the active site. And exhibited good binding affinities towards target protein. Moreover, the ADMET anal. also indicated drug-likeness properties. Thus it is suggested that the identified compounds can inhibit Chymotrypsin-like protease (3CLpro) of SARS-CoV-2.

Journal of Molecular Graphics & Modelling published new progress about Binding energy. 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, HPLC of Formula: 55981-09-4.

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