Month: December 2022

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

Yao, Yaqi published the artcileRoles of Cu+ and Cu0 sites in liquid-phase hydrogenation of esters on core-shell CuZnx@C catalysts, Category: esters-buliding-blocks, the main research area is liquid hydrogenation ester core shell CuZnx catalyst.

Liquid-phase hydrogenolytic reduction of esters on Cu-based catalysts is a promising approach for synthesis of alcs. Here, core-shell CuZnx@C materials synthesized via pyrolysis of a Zn(NO3)2-loaded metal-organic framework (MOF) were proposed, in which well-defined spacing between Cu species in the parent MOF and the homogeneous loading of a Zn salt leads to an ideal distribution and strong interaction of Cu and Zn after pyrolysis of the precursor. The as-synthesized CuZnx@C showed a much higher catalytic activity than Cu@C. This higher activity is tentatively attributed to the simultaneous presence of Cu0 and Cu+ sites at ZnO crystal domains. The resulting Cu-O-Zn sites have a high tendency to adsorb the ester in the form of a surface bound species that greatly improves the hydrogenolysis, which is the rate controlling step in the reductive pathway. A theor. study confirms the ability of this site to bind and catalytically convert fatty acid esters.

Applied Catalysis, B: Environmental 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, Category: esters-buliding-blocks.

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

Pi, Menghan published the artcileSustainable MXene/PDA hydrogel with core-shell structure tailored for highly efficient solar evaporation and long-term desalination, Safety of Dodecyl 2-methylacrylate, the main research area is MXene core shell structure solar evaporation desalination.

Solar evaporation is an effective means to solve the scarce of fresh water resources. The developed solar evaporator has the disadvantages of low evaporation rate, poor mech. performance, difficulty in long-term evaporation, and insufficient water purification capacity. Herein, we have developed a core-shell structure hydrogel solar evaporator taking MXene/PDA as the photothermal material. The hydrogel matrix possesses self-healing and remoldability, which is sustainable and in line with the theme of current material development. The prepared core-shell structure hydrogel showed excellent properties, with a compressive stress of 0.4 MPa and the evaporation rate is as high as 3.02 kg m-2 h-1, and the evaporation efficiency is 94.7% under 1 sun illumination, which is better than most of the previously reported solar evaporators. Through the durability experiment in simulated seawater, the long-term desalination ability was verified. Simultaneously, the solar evaporator also exhibits various functions such as dye resistance, and heavy metal ion resistance. The core-shell structure solar evaporator shows great potential in long-term seawater desalination and water purification Furthermore, it provides a promising strategy for the structural design of solar evaporators in the future.

Polymer published new progress about Binding energy. 142-90-5 belongs to class esters-buliding-blocks, name is Dodecyl 2-methylacrylate, and the molecular formula is C16H30O2, Safety of Dodecyl 2-methylacrylate.

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

Zharova, P. A. published the artcileOriginal Pt-Sn/Al2O3 catalyst for selective hydrodeoxygenation of vegetable oils, Name: Benzyl acetate, the main research area is platinum aluminum oxide catalyst hydrodeoxygenation vegetable oil.

The preparation of biodiesel from fatty materials HDO provides a very constructive idea to solve the global clean energy problem. The application of catalytic technol. to convert oils into green liquid hydrocarbon fuel has great potential for industrial application. The main problem with the development of green diesel technol. is the limited number of available non-food sources of fatty acid triglycerides. Also the researchers have made remarkable achievements in the field of catalyst, the stability of the catalyst is insufficient and the selectivity of large mols. of direct alkanes is low. These defects hinder the large-scale resource development of biodiesel. In current paper the potential of hydrodeoxygenation (HDO) of fatty materials and model esters was explored by enhancing the synergy of platinum and tin by using heterometallic (PPh4)3 [Pt (SnCl3)5 complex. Heterometallic (PPh4)3 [Pt (SnCl3)5] complex provides in its structure platinum and tin atoms linked by a metal-metal bond that causes the originality of catalytic performance. The performance of bimetallic Pt-Sn/Al2O3 catalyst, which is characterized by the Sn/Pt molar ratio of 5/1, has been studied at hydrogen pressure 50 atm and temperature 400-480°C. HDO reaction of a number of fatty materials has been shown to proceed with the highest ever yield of direct hydrocarbons derived from alkoxy and acyl groups of the initial ester. Also it was investigated a performance in HDO reaction of mixture containing rapeseed oil oleic acid and water that simulate cooked oil that may be a prospective soure for green hydrocarbons in megalopolises. A structural studies of the catalyst showed that its high selectivity in HDO reaction of fatty materials provided by two important factors: impregnated particles size and formation of intermettallic species of PtSn3±σ. Finally, catalysts sustained activity and stability were tested during five turns of 24 h each.

Energy (Oxford, United Kingdom) 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, Name: Benzyl acetate.

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

Sazawa, Kazuto published the artcileEvaluation of carbon mineralization and structural alterations of organic carbon in high-moor peat soils during incubation, Name: Methyl docosanoate, the main research area is organic carbon moor peat soil mineralization incubation.

The quantity and quality of soil organic matter (SOM) in the wetlands and peatlands are important for evaluating of the effects of environmental changes. This study’s aim was to evaluate the change in the chem. properties of SOM and dissolved organic matter (DOM) during a constant temperature incubation of high-moor peat soil under two types of vegetation. Incubation of high-moor peat soils collected from marsh vegetation and dwarf bamboo was conducted for 108 days at each temperature of 25°C and 35°C. The chem. properties of alk. extract and DOM in soil samples during incubation were analyzed by tetramethylammonium hydroxide thermochemolysis-gas chromatog.-mass spectrometry (TMAH-GC/MS) and fluorescence anal. The cumulative CO2 emission from peat under dwarf bamboo was higher than that of peat under marsh vegetation. During incubation at 35°C, plant and microbial residues in DOM extracted from dwarf bamboo soil were increased significantly at the early stages of culture. On the other hand, the components of DOM in the marsh vegetation soil sample did not significantly change between incubation at each temperature The fluorescence spectra showed that protein-like fluorescent DOM contained in dwarf bamboo soil is consumed by microorganisms, which promotes leaching of humic-like fluorescent DOM and carbon mineralization during the incubation period at a higher temperature Compared with marsh vegetation soil, the DOM in dwarf bamboo soil is susceptible to temperature rises and can be a larger source of CO2 emissions. This study shows that evaluation of DOM properties in soil could be useful to assess the effect of climate change on soil environment.

Journal of Soils and Sediments published new progress about Bamboo (dwarf). 929-77-1 belongs to class esters-buliding-blocks, name is Methyl docosanoate, and the molecular formula is C23H46O2, Name: Methyl docosanoate.

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

Sazawa, Kazuto published the artcileEvaluation of carbon mineralization and structural alterations of organic carbon in high-moor peat soils during incubation, Computed Properties of 111-11-5, the main research area is organic carbon moor peat soil mineralization incubation.

The quantity and quality of soil organic matter (SOM) in the wetlands and peatlands are important for evaluating of the effects of environmental changes. This study’s aim was to evaluate the change in the chem. properties of SOM and dissolved organic matter (DOM) during a constant temperature incubation of high-moor peat soil under two types of vegetation. Incubation of high-moor peat soils collected from marsh vegetation and dwarf bamboo was conducted for 108 days at each temperature of 25°C and 35°C. The chem. properties of alk. extract and DOM in soil samples during incubation were analyzed by tetramethylammonium hydroxide thermochemolysis-gas chromatog.-mass spectrometry (TMAH-GC/MS) and fluorescence anal. The cumulative CO2 emission from peat under dwarf bamboo was higher than that of peat under marsh vegetation. During incubation at 35°C, plant and microbial residues in DOM extracted from dwarf bamboo soil were increased significantly at the early stages of culture. On the other hand, the components of DOM in the marsh vegetation soil sample did not significantly change between incubation at each temperature The fluorescence spectra showed that protein-like fluorescent DOM contained in dwarf bamboo soil is consumed by microorganisms, which promotes leaching of humic-like fluorescent DOM and carbon mineralization during the incubation period at a higher temperature Compared with marsh vegetation soil, the DOM in dwarf bamboo soil is susceptible to temperature rises and can be a larger source of CO2 emissions. This study shows that evaluation of DOM properties in soil could be useful to assess the effect of climate change on soil environment.

Journal of Soils and Sediments published new progress about Bamboo (dwarf). 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, Computed Properties of 111-11-5.

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

Sazawa, Kazuto published the artcileEvaluation of carbon mineralization and structural alterations of organic carbon in high-moor peat soils during incubation, Formula: C11H22O2, the main research area is organic carbon moor peat soil mineralization incubation.

The quantity and quality of soil organic matter (SOM) in the wetlands and peatlands are important for evaluating of the effects of environmental changes. This study’s aim was to evaluate the change in the chem. properties of SOM and dissolved organic matter (DOM) during a constant temperature incubation of high-moor peat soil under two types of vegetation. Incubation of high-moor peat soils collected from marsh vegetation and dwarf bamboo was conducted for 108 days at each temperature of 25°C and 35°C. The chem. properties of alk. extract and DOM in soil samples during incubation were analyzed by tetramethylammonium hydroxide thermochemolysis-gas chromatog.-mass spectrometry (TMAH-GC/MS) and fluorescence anal. The cumulative CO2 emission from peat under dwarf bamboo was higher than that of peat under marsh vegetation. During incubation at 35°C, plant and microbial residues in DOM extracted from dwarf bamboo soil were increased significantly at the early stages of culture. On the other hand, the components of DOM in the marsh vegetation soil sample did not significantly change between incubation at each temperature The fluorescence spectra showed that protein-like fluorescent DOM contained in dwarf bamboo soil is consumed by microorganisms, which promotes leaching of humic-like fluorescent DOM and carbon mineralization during the incubation period at a higher temperature Compared with marsh vegetation soil, the DOM in dwarf bamboo soil is susceptible to temperature rises and can be a larger source of CO2 emissions. This study shows that evaluation of DOM properties in soil could be useful to assess the effect of climate change on soil environment.

Journal of Soils and Sediments published new progress about Bamboo (dwarf). 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

Penin, Lucia published the artcileFractionation of Eucalyptus regnans wood: properties of the soluble products and reactivity of the treated solids, Recommanded Product: Ethyl 4-oxopentanoate, the main research area is ethyl levulinate preparation Eucalyptus regnans wood autohydrolysis delignification.

Eucalyptus regnans wood samples were treated with water under diverse conditions, in order to obtain soluble hemicellulose-derived products. The composition of the liquid phase from the treatment leading to the best results was characterized in depth using a combination of spectrophotometric, spectrometric and chromatog. methods; and the susceptibility of the treated solids to further fractionation by organosolv delignification was assessed in addnl. experiments The chem. and physicochem. properties of the resulting lignin were determined, and the suitability of the delignified solids as substrates for the one-pot manufacture of Et levulinate was evaluated on a quant. basis.

Journal of Wood Chemistry and Technology published new progress about Autohydrolysis. 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

Al Mawali, Mawiya Jaifar Talib published the artcileComparative phytochemical investigations and in vitro pharmacological activities of different brands of olive oil, Recommanded Product: Methyl octanoate, the main research area is olive oil phytochem pharmacol antioxidant.

Olive oil is composed of primary triacylglycerol about 99% of the whole components and secondary fatty acids which are mono, diacylglycerols and phosphates. Olive oil is known to contain many active constituents with different pharmacol. actions such as antioxidant action. The purpose of this research is thus, to compare phytochem. components of different olive oil brands as well as to determine their cytotoxic and antioxidant properties. All those four brands of extra virgin olive oil contained all necessary active constituents especially oleic acid, palmitic acid and linoleic acid. Due to the presence of healthy constituents, all four brands of olive oil showed equivalent antioxidant activity. No cytotoxic activity was reported on the evaluated concentrations Overall comparison of phytochems. as well as pharmacol. activities of all four brands of extra virgin olive oil was found to be satisfactory.

Journal of Applied Sciences published new progress about Artemia salina. 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, Recommanded Product: Methyl octanoate.

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

Al Mawali, Mawiya Jaifar Talib published the artcileComparative phytochemical investigations and in vitro pharmacological activities of different brands of olive oil, HPLC of Formula: 929-77-1, the main research area is olive oil phytochem pharmacol antioxidant.

Olive oil is composed of primary triacylglycerol about 99% of the whole components and secondary fatty acids which are mono, diacylglycerols and phosphates. Olive oil is known to contain many active constituents with different pharmacol. actions such as antioxidant action. The purpose of this research is thus, to compare phytochem. components of different olive oil brands as well as to determine their cytotoxic and antioxidant properties. All those four brands of extra virgin olive oil contained all necessary active constituents especially oleic acid, palmitic acid and linoleic acid. Due to the presence of healthy constituents, all four brands of olive oil showed equivalent antioxidant activity. No cytotoxic activity was reported on the evaluated concentrations Overall comparison of phytochems. as well as pharmacol. activities of all four brands of extra virgin olive oil was found to be satisfactory.

Journal of Applied Sciences published new progress about Artemia salina. 929-77-1 belongs to class esters-buliding-blocks, name is Methyl docosanoate, and the molecular formula is C23H46O2, HPLC of Formula: 929-77-1.

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