Category: 112-63-0

Ren, Shisong; Liu, Xueyan; Erkens, Sandra; Lin, Peng; Gao, Yangming published the artcile< Multi-component analysis, molecular model construction, and thermodynamics performance prediction on various rejuvenators of aged bitumen>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is methyl palmitate tetradecane hexadecahydro pyrene octadecane aged bitumen viscosity.

The mol. dynamics (MD) simulation method is proved as an efficient tool to explore the intermol. interaction between rejuvenators and aged bitumen, but the simple “”single-mol.”” model of rejuvenator would bring the inaccuracy to simulation outputs due to a huge difference with its realistic multi-component chrematistic. This study aims to in-depth analyze the chem. components of four commonly-used rejuvenators with the Gas chromatog.-mass spectrometry (GC-MS) method, and propose their multi-component mol. models for the first time. Further, MD simulations are performed on the multi-component models of various rejuvenators to anticipate and compare their at.-level properties. The GC-MS results reveal that the chem. components of petroleum-based rejuvenators are more complicated than the bio-oil (BO). The alkane, naphthenic, and aromatic mols. are the main constituents of engine-oil (EO), naphthenic-oil (NO), and aromatic-oil (AO) rejuvenators. The exptl. d. results validate the reliability of these multi-component mol. models of four rejuvenators. From the MD simulations outputs, there is a significant difference in the energetic indexes, cohesive energy d. (CED), solubility parameter æœ? volumetric parameters, dynamic behaviors, structural indicators, expansion coefficient (ä¼?and å°?, and isobaric heat capacity (Cp) between the multi-component models of four rejuvenators. However, the multi-component mol. model of aromatic-oil based on the GC-MS method is not accurate because the polycyclic aromatic mols. with heavy-weight are not detected and considered. This study detects the difference in chem. components and thermodn. properties between four rejuvenators and proposes their more realistic multi-component mol. models for further MD simulations on the rejuvenation of aged bitumen.

Journal of Molecular Liquids published new progress about Activation energy. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Guo, Qianjin; Liu, Qiang; Zhao, Yixin published the artcile< Insights into the Structure and Dynamics of Imidazolium Ionic Liquid and Tetraethylene Glycol Dimethyl Ether Cosolvent Mixtures: A Molecular Dynamics Approach>, Application In Synthesis of 112-63-0, the main research area is imidazolium ionic liquid tetraethylene glycol dimethyl ether cosolvent mixture; dynamical and transport properties; hybrid binary mixtures; ionic liquids; molecular dynamics (MD) simulations; thermophysical properties.

In this work, the effect of mol. cosolvents tetraethylene glycol di-Me ether (TEGDME) on the structure and versatile nature of mixtures of these compounds with imidazolium-based ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6]) is analyzed and discussed at a mol. level by means of all-atom mol. dynamics (MD) simulations. In the whole concentration range of the binary mixtures, the structures and properties evolution was studied by means of systematic mol. dynamics simulations of the fraction of hydrogen bonds, the radial and spatial distribution functions for the various mol. ions and mol. species in the system, together with the snapshots visualization of equilibrated simulation boxes with a color-coding scheme and the rotational dynamics of coumarin 153 (C153) in the binary mixtures The goal of the work is to provide a mol.-level understanding of significant improvement of ionic conductivity and self-diffusion with the presence of TEGDME as a cosolvent, which causes an enhancement to the ion translational motion and fluidity in the [bmim][PF6] ionic liquids (ILs). Under a mixture concentration change, the microstructure changes of [bmim][PF6] with the TEGDME molar fraction (XTEG) above 0.50 show a slight difference from that of neat [bmim][PF6] IL and concentrated [bmim][PF6]/TEGDME mixture in terms of the radial and spatial distribution functions. The relative diffusivities of solvent mols. to cations as a function of concentration were found to depend on the solvent but not on the anion. A TEGDME increase is found to be advantageous to the dissipation of the polar regions as well as the nonpolar regions in the [bmim][PF6] ionic liquids These conclusions are consistent with the exptl. results, which verified that the unique, complex, and versatile nature of [bmim][PF6]/TEGDME mixture can be correctly modeled and discussed at a mol. level using MD simulation data.

Nanomaterials published new progress about Binary mixtures. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application In Synthesis of 112-63-0.

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

Sun, Tao; Feng, Xi-Lan; Sun, Qi-Qi; Yu, Yue; Yuan, Guo-Bao; Xiong, Qi; Liu, Da-Peng; Zhang, Xin-Bo; Zhang, Yu published the artcile< Solvation Effect on the Improved Sodium Storage Performance of N-Heteropentacenequinone for Sodium-Ion Batteries>, Related Products of 112-63-0, the main research area is heteropentacenequinone sodium ion battery solvation effect; electrolytes; organic electrode; sodium-ion batteries; solvation effect.

The performance of electrode material is correlated with the choice of electrolyte, however, how the solvation has significant impact on electrochem. behavior is underdeveloped. Herein, N-heteropentacenequinone (TAPQ) is investigated to reveal the solvation effect on the performance of sodium-ion batteries in different electrolyte environment. TAPQ cycled in diglyme-based electrolyte exhibits superior electrochem. performance, but experiences a rapid capacity fading in carbonate-based electrolyte. The function of solvation effect is mainly embodied in two aspects: one is the stabilization of anion intermediate via the compatibility of electrode and electrolyte, the other is the interfacial electrochem. characteristics influenced by solvation sheath structure. By revealing the failure mechanism, this work presents an avenue for better understanding electrochem. behavior and enhancing performance from the angle of solvation effect.

Angewandte Chemie, International Edition published new progress about Aromatic compounds Role: TEM (Technical or Engineered Material Use), USES (Uses). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Related Products of 112-63-0.

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

Fukuyama, Takahide; Bando, Takanobu; Ryu, Ilhyong published the artcile< Electron-Transfer-Induced Intramolecular Heck Carbonylation Reactions Leading to Benzolactones and Benzolactams>, Electric Literature of 112-63-0, the main research area is benzolactone benzolactam preparation; benzyl alc amine carbon monoxide intramol Heck carbonylation.

A metal-catalyst-free intramol. Heck carbonylation reaction of benzyl alcs. and benzyl amines with carbon monoxide under heating at 250�affords the corresponding benzolactones and benzolactams in good to excellent yields. A hybrid radical/ionic chain mechanism, involving electron transfer from radical anions generated by nucleophilic attack of alcs. or amines on intermediate acyl radicals, is proposed.

Synthesis published new progress about Aralkyl alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Electric Literature of 112-63-0.

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

Frogley, Benjamin J.; Wright, L. James published the artcile< A Metallaanthracene and Derived Metallaanthraquinone>, Product Details of C19H34O2, the main research area is crystal structure mol metallaanthracene metallaanthraquinone derivative preparation reactivity; cyclization; fused-ring metallabenzene; iridium; metallaanthracene; metallacycles.

Metalla-analogs of archetypal aromatic mols. are attracting ever increasing interest. Although metallabenzenes (which fall within this class) have been well studied, fused-ring metallabenzenes are rare and of the linear polycyclic metallaarom. hydrocarbons, only metallanaphthalene is known. Herein we report the first metallaanthracene, [Ir(C13H8{CH2CO2Me-5})Cl(PPh3)2]O3SCF3 (5), which represents the next member of this series of polycyclic compounds Structurally, 5 has a number of features in common with anthracene including fused-ring planarity and bond-length alternation. In analogs of classic reactions of anthracene, 5 forms a Diels-Alder adduct with maleic anhydride and on oxidation the unprecedented fused-ring metallaanthraquinone, [Ir(C15H6O{Br-6}{OMe-7}{:O-8}{:O-15})Br(PPh3)2], is obtained.

Angewandte Chemie, International Edition published new progress about Crystal structure. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Product Details of C19H34O2.

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

Zhao, Yongkai; Shou, Tao; Fu, Siwei; Qin, Xuan; Hu, Shikai; Zhao, Xiuying; Zhang, Liqun published the artcile< Controllable Design and Preparation of Hydroxyl-Terminated Solution-Polymerized Styrene Butadiene for Polyurethane Elastomers with High-Damping Properties>, Computed Properties of 112-63-0, the main research area is hydroxyl terminated styrene butadiene polymerized polyurethane elastomer damping property; anionic polymerization; high damping; hydroxyl-terminated styrene-butadiene rubbers; microphase separation; polyurethane.

Vibration and noise are ubiquitous in social life, which severely damage machinery and adversely affect human health. Thus, the development of materials with high-damping performance is of great importance. Rubbers are typically used as damping materials because of their unique viscoelasticity. However, they do not satisfy the requirements of different applications with various working conditions. In this study, the advantages of the high loss factor of styrene butadiene rubber (SBR) are combined with the strong designability of polyurethane. Hydroxyl-terminated solution-polymerized styrene butadiene rubbers (HTSSBRs) with different structures are prepared using anionic polymerization HTSSBRs are then used as the soft segment during the synthesis of temperature-tunable high-damping performance polyurethanes (HTSSBR-polyurethanes (PUs)). The prepared HTSSBR-PUs with different structures exhibit excellent loss performance, a maximum loss factor (tan 未max) of above 1.60, and an effective damping performance over a wide temperature range compared to traditional SBR and polyurethane. Therefore, this work offers an effective method for the design of damping materials with adjustable properties.

Macromolecular Rapid Communications published new progress about Complex modulus, tan � 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Computed Properties of 112-63-0.

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

Miller, Siennah R.; Hau, Raymond K.; Jilek, Joseph L.; Morales, Mark N.; Wright, Stephen H.; Cherrington, Nathan J. published the artcile< Nucleoside reverse transcriptase inhibitor interaction with human equilibrative nucleoside transporters 1 and 2>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is equilibrative nucleoside transporters 1 2 reverse transcriptase inhibitor.

HeLa S3 cells express ENT1 and ENT2 and were used to compare relative interactions of these transporters with selected NRTIs. Inhibition of [3H]uridine uptake by NBMPR was biphasic, with IC50 values of 11.3 nM for ENT1 and 9.6渭M for ENT2. Uptake measured with 100 nM NBMPR represented ENT2-mediated transport; subtracting that from total uptake represented ENT1-mediated transport. The kinetics of ENT1- and ENT2-mediated [3H]uridine uptake revealed no difference in Jmax (16.53 and 30.40 pmol路cm-2路min-1) and an eight-fold difference in Kt (13.6 and 108.9渭M). The resulting five-fold difference in intrinsic clearance (Jmax/Kt) for ENT1- and ENT2 transport accounted for observed inhibition of [3H]uridine uptake by 100 nM NBMPR. Millimolar concentrations of the NRTIs emtricitabine, didanosine, lamivudine, stavudine, tenofovir disoproxil and zalcitabine had no effect on ENT transport activity, whereas abacavir, entecavir and zidovudine inhibited both transporters with IC50 values of ~200渭M, 2.5 mM and 2 mM, resp. Using LC-MS/MS and [3H] compounds, the data suggest that entecavir is an ENT substrate, abacavir is an ENT inhibitor, and zidovudine uptake is carrier-mediated, although not an ENT substrate. These data show that HeLa S3 cells can be used to explore complex transporter selectivity and are an adequate model for studying ENTs present at the BTB.

Drug Metabolism & Disposition published new progress about Equilibrative nucleoside transporters, ENT1/SLC29A1 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Aoyama, Tadashi; Takido, Toshio; Kodomari, Mitsuo published the artcile< One-pot synthesis of è ?bromoesters from aromatic aldehydes and diols using pyridinium hydrobromide perbromide>, Category: esters-buliding-blocks, the main research area is bromo ester preparation; aromatic aldehyde reaction diol pyridinium hydrobromide perbromide.

A simple and efficient one-pot procedure has been developed for the synthesis of è ?bromoesters from aromatic aldehydes and diols in the presence of pyridinium hydrobromide perbromide (PHPB) and triethoxymethane in which aldehyde reacts first with diol and the product, cyclic acetal, reacts with PHPB to give the final product, è ?bromoesters. E.g., reaction of HOCH2CH2OH and 4-MeC6H4CHO gave 97% 4-MeC6H4CO2CH2CH2Br.

Tetrahedron Letters published new progress about Aryl aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Category: esters-buliding-blocks.

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

Chen, Dong-Meng published the artcile< Variation of graphene Raman G-peak splitting with strain>, Electric Literature of 112-63-0, the main research area is graphene polyaromatic mol Raman peak splitting strain.

Variation of graphene Raman G peak splitting due to uniaxial strain and absorption of polyaromatic moleculars on both sides are studied by fifth-nearest neighbor force-constant model. The calculation results show that symmetry lowering is responsible for the G peak splitting, where G peak splits into G+ and G- peaks by lifting the energy degeneracy of inplane longitudinal and transverse optical phonons at �point. Under uniaxial strain, the elongation of C-C bonds reduces the force-constant and softens the in-plane optical phonons which induce red shifts of both G+ and G- peaks. The different strains produced by polyaromatic mols. along its long and short edges lead to red shift and blue shift of the two in-plane optical phonons relevant to G- and G+ peaks, which gives a plausible explanation to the different G peak splitting of the recent Raman experiment on graphene with uniaxial strain and graphene sandwiched by the polyaromatic mols.

Wuli Xuebao published new progress about Raman spectra. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Electric Literature of 112-63-0.

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

Pang, Jiayin; Kim, Hee Sun; Boitt, Gustavo; Ryan, Megan H.; Wen, Zhihui; Lambers, Hans; Sharma, Manish; Mickan, Bede; Gadot, Gautier; Siddique, Kadambot H. M. published the artcile< Root diameter decreases and rhizosheath carboxylates and acid phosphatases increase in chickpea during plant development>, SDS of cas: 112-63-0, the main research area is chickpea carboxylate acid phosphatase rhizosheath plant development.

This study investigated whether root traits at the seedling stage are maintained at the flowering stage in two chickpea (Cicer arietinum) genotypes with contrasting root morphol. and physiol.; and whether the genotype with greater rhizosheath carboxylates mobilises more poorly-available phosphorus (P) pools to increase shoot P at flowering/podding and seed yield at maturity. Two chickpea genotypes were grown in a low P soil with or without P addition (0 and 40渭g P g-1 soil as KH2PO4) under controlled glasshouse conditions and harvested at seedling, flowering/podding, physiol. maturity. At the seedling and flowering/podding stages, ICC2884 had thinner roots and greater root mass ratio, specific root length and rhizosheath carboxylates per root dry weight (DW) than ICC456. Both genotypes had smaller root diameter, higher carboxylates and acid phosphatase activity in rhizosheath soil at flowering/podding than at seedling. In the rhizosheath soil of both genotypes, NaHCO3-Pi concentration was depleted under P0 only; under both P0 and P40, NaHCO3-Po concentration increased while NaOH-Pi and NaOH-Po concentrations decreased at the seedling stage but accumulated at the flowering/podding stage, relative to the bulk soil. ICC2884 did not mobilise more poorly available soil P or acquire more P at the seedling or flowering/podding stages, or produce higher seed yields than ICC456. ICC2884 and ICC456 maintained the difference in root morphol. and physiol. characteristics from the seedling stage to the flowering/podding stage. The genotype with greater rhizosheath carboxylates (root DW basis) did not produce higher yield than genotype with less rhizosheath carboxylates.

Plant and Soil published new progress about Chickpea. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, SDS of cas: 112-63-0.

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