Category: 3681-71-8

Related Products of 3681-71-8, As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 3681-71-8, Name is cis-3-Hexenyl acetate, SMILES is CC(OCC/C=CCC)=O, belongs to esters-buliding-blocks compound. In a article, author is Krieger, Annika M., introduce new discover of the category.

Composition- and Condition-Dependent Kinetics of Homogeneous Ester Hydrogenation by a Mn-Based Catalyst

The reaction medium and conditions are the key parameters defining the efficiency and performance of a homogeneous catalyst. In the state-of-the-art molecular descriptions of catalytic systems by density functional theory (DFT) calculations, the reaction medium is commonly reduced to an infinitely diluted ideal solution model. In this work, we carry out a detailed operando computational modeling analysis of the condition dependencies and nonideal solution effects on the mechanism and kinetics of a model ester hydrogenation reaction by a homogeneous Mn(I)-P,N catalyst. By combining DFT calculations, COSMO-RS solvent model, and the microkinetic modeling approach, the kinetic behavior of the multicomponent homogeneous catalyst system under realistic reaction conditions was investigated in detail. The effects of the reaction medium and its dynamic evolution in the course of the reaction were analyzed by comparing the results obtained for the model methyl acetate hydrogenation reaction in a THE solution and under solvent-free neat reaction conditions. The dynamic representations of the reaction medium give rise to strongly nonlinear effects in the kinetic models. The nonideal representation of the reaction medium results in pronounced condition dependencies of the computed energetics of the elementary reaction steps and the computed kinetic profiles but affects only slightly such experimentally accessible kinetic descriptors as the apparent activation energy and the degree of rate control.

Related Products of 3681-71-8, Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. The slowest step in a reaction mechanism is the rate-determining step.you can also check out more blogs about 3681-71-8.

A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 3681-71-8, Name is cis-3-Hexenyl acetate, molecular formula is C8H14O2. In an article, author is Otsu, Wataru,once mentioned of 3681-71-8, Formula: C8H14O2.

Brazilian green propolis promotes the cytoprotective expression of heme oxygenase-1 against oxidative stress injury in murine myoblast cells

Background: Sarcopenia is a progressive skeletal muscle disorder characterized by the progressive loss of muscle mass and function, resulting in physical disability and mortality. Although sarcopenia impacts a large proportion of elderly individuals, no effective treatment for this disease has yet been identified. The excessive production of reactive oxygen species (ROS) can damage tissues and promote aging, and the daily use of dietary antioxidants can be effective for maintaining skeletal muscle health. Propolis, a natural substance that is collected by honey bees, has been used as traditional medicine, and many reports have described its antioxidative properties. However, how propolis exhibits cytoprotective effects and antioxidative effects in skeletal muscles remains unclear. The purpose of this study was to investigate the antioxidative effects of ethanol-extracted Brazilian green propolis (EEBP, from Baccharis dracunculifolia) and its three constituents using an in vitro myoblast cell model. Methods: Murine myoblast C2C12 cells were treated with either EEBP or its constituents, including caffeic acid, trans-ferulic acid, and p-coumaric acid, in the presence of 100 or 300 mM H2O2 to induce oxidative stress injury. The cell death ratio and cell viability were assessed by Hoechst 33342 and propidium iodide staining and the WST-8 assay, respectively. Simultaneously, intracellular ROS production was measured by CM-H2DCFDA [5-(and-6)-chloromethyl-2′,7′-dichlorodihydrofluorescein diacetate, acetyl ester] assay. Finally, immunoblotting was performed in myoblast cell lysates to assess the expression level of an antioxidative enzyme, heme oxygenase-1 (HO-1). Results: We demonstrated that EEBP significantly reduced H2O2-induced cell death at a concentration of 3 mu g/ml in myoblasts. Additionally, caffeic acid at 100 mu M improved cell viability under oxidative stress conditions, but not trans-ferulic acid or p-coumaric acid. Both EEBP and caffeic acid inhibited the H2O2-induced increase in ROS production. Finally, HO-1 expression was increased by treatment with either EEBP or caffeic acid. The increase in HO-1 expression induced by H2O2 was enhanced in the presence of EEBP and caffeic acid. Conclusions: These findings indicated that EEBP has protective effects against oxidative damage in C2C12 murine myoblast cell line. Caffeic acid is an EEBP constituent that contributes to cytoprotective activity. EEBP may act as an inducer of HO-1 to prevent oxidative stress-induced myoblast death.

Interested yet? Keep reading other articles of 3681-71-8, you can contact me at any time and look forward to more communication. Formula: C8H14O2.

A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 3681-71-8, Name is cis-3-Hexenyl acetate, molecular formula is C8H14O2. In an article, author is Dahmani, Rahma,once mentioned of 3681-71-8, Formula: C8H14O2.

Quantifying soft degrees of freedom in volatile organic compounds: insight from quantum chemistry and focused single molecule experiments

Sampling of the vast conformational landscape of organic compounds remains a challenging task in computational chemistry, especially when it comes to the characterization of soft-degrees of freedom and relatively small energy barriers between different local minima. Therefore, studying the intrinsic properties of isolated molecules using focused experiments such as high-resolution molecular spectroscopy provides a powerful approach to validate and improve available quantum chemical methods. Here, we report on the most abundant gas-phase structure of ethyl 2-methyl pentanoate under molecular jet conditions, which we used to benchmark several exchange-correlation functionals and ab initio methods at the quantum chemical level. The observed conformer of ethyl 2-methyl pentanoate in the gas-phase is of C-1 symmetry and exhibits a large amplitude motion around the C-C bond in proximity to the carbonyl moiety, which, unlike in the case of its structural isomer ethyl 2-ethyl butyrate, is very sensitive to the applied quantum chemical method and basis set. Depending on the applied quantum chemical method, the dihedral angle of the lowest energy conformer is optimized to absolute values of +/- 20 degrees. This is far above the usual convergence error of the theoretical methods and has a tremendous impact on the rotational constants of this conformer, which complicates the prediction of rotational spectra and the assignment of experimental data. We show that the loss of symmetry in the aliphatic chain bound to the carboxylic moiety of ethyl esters results in a shift of the dihedral angle value due to a flat potential well around the corresponding C-C bond. Our benchmark calculations further indicate the potential relevance of the wB97X-D functional for this ethyl pentanoate and other related ethyl esters.

Interested yet? Keep reading other articles of 3681-71-8, you can contact me at any time and look forward to more communication. Formula: C8H14O2.