Tag: M.W=250-300

Shen, Zhengyuan; Chen, Qile P.; Xie, Shuyi; Lodge, Timothy P.; Siepmann, J. Ilja published the artcile< Effects of Electrolytes on Thermodynamics and Structure of Oligo(ethylene oxide)/Salt Solutions and Liquid-Liquid Equilibria of a Squalane/Tetraethylene Glycol Dimethyl Ether Blend>, COA of Formula: C19H34O2, the main research area is oligoethylene oxide salt squalane tetraethylene glycol dimethyl ether blend.

Gibbs ensemble Monte Carlo simulations for salt-doped oligo(ethylene oxide) (OEO, Mw = 90-266 g/mol) solutions show that the presence of ions leads to significant increases in the cohesive energy d. (铻ED) and the enthalpy of vaporization for OEO chains but that compensation by entropic contributions leads to only small changes in the Gibbs free energy of transfer and vapor pressure. At the same relative ion concentration (r) and temperature, the 铻ED values of the salt-doped systems order as LiClO4 > LiF > CsClO4 é–?CsF. Structural anal. indicates significant ion clustering in addition to coordination of cations by OEO chains. After accounting for ion clustering via the van’t Hoff factor, the solvents’ vapor pressures are well described by Raoult’s law. Experiments and simulations for a squalane/tetraethylene glycol di-Me ether blend (xW,OEO = 0.65) show that the addition of LiClO4 does not significantly alter the miscibility gap below 0.95 TCP,free, the critical temperature of the salt-free blend. However, the coexistence curve for the LiClO4-doped system does not close with the usual power-law scaling at T > 0.95 TCP,free as transfer of OEO chains to the squalane-rich phase leads to an increase in r in the OEO-rich phase, which, in turn, makes it a less hospitable environment for squalane.

Macromolecules (Washington, DC, United States) published new progress about Cohesive energy. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, COA of Formula: C19H34O2.

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

Sugiura, Hirotaka; Yamazaki, Shoko; Go, Kakeru; Ogawa, Akiya published the artcile< Intramolecular Cyclization of 3,3-Diarylpropenylamides of Electron-Deficient Alkenes: Stereoselective Synthesis of Functionalized Hexahydrobenzo[f]isoindoles>, Computed Properties of 112-63-0, the main research area is electron deficient alkene diarylpropenylamide intramol Diels Alder; hexahydrobenzo isoindole stereoselective preparation substituent temperature solvent effect.

Intramol. Diels-Alder reactions of various 3,3-diarylpropenylamides of electron-deficient alkenes to give hexahydrobenzo[f]isoindoles were investigated. Reaction of 1,1,2-ethenetricarboxylic acid 1,1-di-Et ester with 3,3-diaryl-2-propen-1-amines under the amide formation conditions gave the tricyclic compounds in sequential processes involving intramol. Diels-Alder reaction. The reaction gave cis- and trans-fused tricyclic compounds selectively, depending on the substituents on the benzene ring, reaction temperature and solvent. In the reaction with dissym. substituted 3,3-diaryl-2-propen-1-amines, trans-substituted aryl group reacted mainly as a styrene component. Amides of electron-deficient alkenic carboxylic acids such as fumarate do not undergo cyclization at room temperature sequentially and the reaction on heating gave trans-fused hexahydrobenzo[f]isoindoles. The origin of the observed stereoselectivity has been examined by the DFT calculations

European Journal of Organic Chemistry published new progress about Alkenes, electron-deficient Role: RCT (Reactant), RACT (Reactant or Reagent). 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

Chen, Si-Cong; Zhu, Qi; Cao, Yuhui; Li, Chen; Guo, Yinliang; Kong, Lingran; Che, Jinteng; Guo, Zhixian; Chen, Han; Zhang, Nan; Fang, Xianhe; Lu, Jia-Tian; Luo, Tuoping published the artcile< Dealkenylative Ni-Catalyzed Cross-Coupling Enabled by Tetrazine and Photoexcitation>, Application In Synthesis of 112-63-0, the main research area is olefin aryl alkenyl bromide dealkenylative cross coupling nickel catalyst.

A new and general method to functionalize the C(sp3)-C(sp2) bond of alkyl and alkene linkages has been developed, leading to the dealkenylative generation of carbon-centered radicals that can be intercepted to underwent Ni-catalyzed C(sp3)-C(sp2) cross-coupling. This one-pot protocol leverages the easily procured alkene feedstocks for organic synthesis with excellent functional group compatibility without the need for a photoredox catalyst.

Journal of the American Chemical Society published new progress about Alkenes Role: RCT (Reactant), RACT (Reactant or Reagent). 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

Enoki, Takashi; Tanaka, Kazunori; Watanabe, Tsuyoshi; Oya, Taro; Sakiyama, Takaharu; Takeoka, Yukikazu; Ito, Kenji; Wang, Guoqiang; Annaka, Masahiko; Hara, Kazuhiro; Du, Rose; Chuang, Jeffrey; Wasserman, Kevin; Grosberg, Alexander Yu.; Masamune, Satoru; Tanaka, Toyoichi published the artcile< Frustrations in Polymer Conformation in Gels and their Minimization through Molecular Imprinting>, Application In Synthesis of 112-63-0, the main research area is crosslinked polymer gel conformation memory mol imprinting frustration.

An exptl. realization of a gel system is reported in which frustrations exist and can be minimized, thus meeting 2 crucial criteria predicted to enable memory of conformations in polymers. The gels consist of a thermosensitive major monomer component and two minor components. One minor component is pos. charged and will form complexes around neg. charged target mols. placed in solution The complexes can be imprinted into the gel by then crosslinking the second minor component, which will form crosslinks addnl. to those in the major polymer matrix. The complexes are destroyed and reformed upon swelling and reshrinking of the gels, showing that memorization has been achieved.

Physical Review Letters published new progress about Memory effect. 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

Kitabayashi, Nanako; Nakao, Shohei; Mita, Yuichiro; Arisawa, Kotoko; Hoshi, Takayuki; Toyama, Takashi; Ishii, Kiyo-aki; Takamura, Toshinari; Noguchi, Noriko; Saito, Yoshiro published the artcile< Role of selenoprotein P expression in the function of pancreatic �cells: Prevention of ferroptosis-like cell death and stress-induced nascent granule degradation>, Product Details of C15H22N2O2, the main research area is pancreatic beta cells ferroptosis cell death; Ferroptosis; GPX4; Pancreatic �cells; Selenoprotein K; Selenoprotein P; Stress-induced nascent granule degradation (SINGD).

Selenoprotein P (SELENOP) is a major selenium (Se)-containing protein (selenoprotein) in human plasma that is mainly synthesized in the liver. SELENOP transports Se to the cells, while SELENOP synthesized in peripheral tissues is incorporated in a paracrine/autocrine manner to maintain the levels of cellular selenoproteins, called the SELENOP cycle. Pancreatic �cells, responsible for the synthesis and secretion of insulin, are known to express SELENOP. Here, using MIN6 cells as a mouse model for pancreatic �cells and Selenop small interfering (si)RNA, we found that Selenop gene knockdown (KD) resulted in decreased cell viability, cellular pro/insulin levels, insulin secretion, and levels of several cellular selenoproteins, including glutathione peroxidase 4 (Gpx4) and selenoprotein K (Selenok). These dysfunctions induced by Selenop siRNA were recovered by the addition of Se. Ferroptosis-like cell death, regulated by Gpx4, was involved in the decrease of cell viability by Selenop KD, while stress-induced nascent granule degradation (SINGD), regulated by Selenok, was responsible for the decrease in proinsulin. SINGD was also observed in the pancreatic �cells of Selenop knockout mice. These findings indicate a significant role of SELENOP expression for the function of pancreatic �cells by maintaining the levels of cellular selenoproteins such as GPX4 and SELENOK.

Free Radical Biology & Medicine published new progress about Antioxidants. 347174-05-4 belongs to class esters-buliding-blocks, and the molecular formula is C15H22N2O2, Product Details of C15H22N2O2.

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

Malsawmdawngliana; Zohmachhuana, Alex; Vabeiryureilai, M.; Thangjam, Nurpen Meitei; Lalrinzuali, K.; Kumar, N. Senthil; Kumar, Awadhesh published the artcile< Antioxidant efficacy and cytotoxicity of ethanol extract of Clerodendrum infortunatum against different cell lines>, Category: esters-buliding-blocks, the main research area is Clerodendrum infortunatum cell line ethanol extract antioxidant efficacy cytotoxicity.

Clerodendrum infortunatum belongs to the Lamiaceae family and is a perennial shrub. It is widely known for their important medicinal values among the Mizo tribe. In the present study, the preliminary phytochem. screening, quantification of phenols, flavonoids and alkaloids, antioxidant activities by DPPH, O2- and ABTS assays and cytotoxicity by MTT assay against AGS (gastric cancer), HeLa (cervical) and HT-29 (colon) cell lines compared with normal cell line (Chang liver) were performed. Furthermore, the GC-MS profiling was also conducted. The results imply the presence of saponin, alkaloid, cardiac glycoside, phenol and flavonoid. The quantification shows that phenol content (64.35 mg/ g) was highest followed by flavonoid (61.93 mg/ g) and alkaloid (13.33 mg/ g). Its scavenging efficiency against DPPH with IC50 value was 47.99, against O2- with IC50 was 108 娓璯/mL and against ABTS cations with IC50 was 50.05 娓璯/mL, resp. The ethanol extract exhibited a maximum cytotoxicity against HeLa with IC50 value of 53.55 娓璯/mL, AGS with IC50 value 82.44 娓璯/mL and HT-29 with IC50 value of 142.2 娓璯/mL. However, the extract showed comparatively less toxicity against normal cell lines. Moreover, 14 active compounds were confirmed in the GC-MS anal. of the extract HPLC study also infers the occurrence of the flavonoids rutin and quercetin. Therefore, the results of C. infortunatum ethanolic extract clearly specified that it has a very high antioxidant activity as well as cytotoxic properties; which proved that this ethnomedicinal plant can be used as an alternative agent to treat a variety of illnesses.

Indian Journal of Biochemistry & Biophysics published new progress about Alkaloids Role: ANT (Analyte), ANST (Analytical Study). 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

Kovtunenko, V. A.; Kisel, V. M.; Tyltin, A. K.; Babichev, F. S. published the artcile< Novel approach to the synthesis of dibenz[b,f]azocine system>, Formula: C19H34O2, the main research area is dibenzazocine acetylcyanohydroxydihydro preparation IR; cyanomethylbenzylanthranilate preparation acetylation; acetylcyanomethylbenzylanthranilate preparation cyclocondensation.

Alkylating o-H2NC6H4CO2Et with o-BrCH2C6H4CH2CN in Me2CHOH containing NaOAc gave 54% o-NCCH2C6H4CH2NRC6H4CO2Et-o (I; R = H), which was acetylated with AcCl in dry dioxane containing Et3N to give 94% I (R = Ac). Intramol. cyclocondensation reaction of the latter on heating in Me3COH containing KOCMe3 gave 73% title derivative II, the IR spectrum of which showed no keto tautomer either in the solid state or in DMSO solution

Khimiya Geterotsiklicheskikh Soedinenii published new progress about Cyclocondensation reaction, intramolecular. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Formula: C19H34O2.

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

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 é? volumetric parameters, dynamic behaviors, structural indicators, expansion coefficient (æµ?and ç?, 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