Category: 112-63-0

Wang, Tong; Guo, Qing; Li, Ping; Yang, Hua published the artcile< Deep-eutectic solvents/ionic liquids/water mixture as a novel type of green thermo-switchable solvent system for selective extraction and separation of natural products from Rosmarinus officinalis leaves>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is Rosmarinus leaf extraction separation natural product deep eutectic solvent; green thermo switchable solvent system; Carnosic acid; Deep-eutectic solvents; Green solvent; Ionic liquid; Rosmarinic acid; Ultrasonic-assisted extraction.

In the present study, we designed a novel type of green thermo-switchable solvent system which is composed of ChCl:LA/[BMIM]PF6/H2O (volume/volume/v, 1/2/1) to extract natural products. When the temperature is 60°C, the system is a homogeneous single-phase system, and when cooling to 25°C, the system is switched into a heterogeneous two-phase system. Based on the thermo-switchable system, an integrated extraction method was developed which could efficiently extract both rosmarinic acid (hydrophilic) and carnosic acid (hydrophobic) from Rosmarinus officinalis leaves at 60°C and in situ sep. the extracted compounds with high recovery yields by cooling the extracts to 25°C. Rosmarinic acid was separated into the upper phase (88.97%) and carnosic acid was separated into the lower phase (97.46%). In addition to enhanced efficiency and no consumption of organic solvents, the method also completed the extraction and separation in a single step which further reduced the operation units.

Food Chemistry published new progress about Deep eutectic solvents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Wang, Xuechuan; Zhu, Jingbo; Liu, Xinhua; Zhang, Hui Jie; Zhu, Xing published the artcile< Novel Gelatin-based Eco-friendly Adhesive with a Hyperbranched Cross-linked Structure>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is gelatin ecofriendly adhesive hyperbranched crosslinked polyamine polyester epoxy; leather waste collagen hydrolyzate adhesive polyamine polyester dendritic.

Gelatin (GE), a nontoxic and degradable biomass resource, is a multistage hydrolyzate of collagen. However, its application in adhesives was always limited by its brittleness and poor water resistance. In order to overcome this shortcoming, herein, epoxy-terminated hyperbranched polymers (EHPAEs) were first selected as a crosslinking agent to modify the GE extracted from leather solid wastes to prepare a series of novel GE-based environmentally friendly adhesives. First, EHPAE was synthesized and the structure of the hyperbranched polymer was measured by Fourier-transform IR and 1H NMR spectroscopy. Then, the adhesives were obtained using the EHPAE to modify GE. The adhesion effect of the prepared adhesives was evaluated by tensile and T-peel tests on the surface of leather, in order to determine whether this adhesive achieved the quality requirements for footwear and bags. The result indicated that EHPAE-modified GE-based adhesives had higher solid content, superior adhesion ability, and water resistance. Moreover, the bonding layer of this adhesive was tough and ductile, while the bonding layers of the recently reported GE-based adhesives were brittle. This adhesive also surpassed the recently reported GE-based adhesives in terms of water resistance and adhesion performance.

Industrial & Engineering Chemistry Research published new progress about Adhesives. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Broadus, Katherine M.; Kass, Steven R. published the artcile< The Electron as a Protecting Group. 3. Generation of Acenaphthyne Radical Anion and the Determination of the Heat of Formation of a Strained Cycloalkyne>, Quality Control of 112-63-0, the main research area is electron protecting group generation acenaphthyne radical anion; formation heat strained cycloalkyne.

Acenaphthynedicarboxylate (12) was transferred into the gas phase from solution via electrospray ionization and subsequently was sequentially fragmented in a Fourier transform mass spectrometer to afford acenaphthyne radical anion (9). Structural confirmation of 9 was achieved by converting it to acenaphthenone enolate (13) and demonstrating that this species is identical to the ion produced upon deprotonation of acenaphthenone (5). The reactivity of 9 was explored, and since an electron can serve as a protecting group, the authors were able to measure the heat of hydrogenation (98 ± 4 kcal mol-1) and the heat of formation (160 ± 4 kcal mol-1) of acenaphthyne (1) via the application of a thermodn. cycle. Its strain energy (68 kcal mol-1) and acenaphthylene’s (10H) first and second C-H bond dissociation energies (117 ± 4 and 84 ± 2 kcal mol-1) also were obtained. Ab initio and d. functional theory calculations were carried out on the species of interest to explore their geometries and energetics. Results were interpreted in comparison to cyclopentyne, and its predicted heat of formation (98 kcal mol-1) and strain energy (59 kcal mol-1) are reported.

Journal of the American Chemical Society published new progress about Ab initio methods. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Quality Control of 112-63-0.

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

Peter, David; Brueckner, Reinhard published the artcile< Syntheses of a Pair of Simplified Model Compounds of the Dihydroxycyclopentenone Core of the Kodaistatins A-D>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is transition state kodaistatin synthon aldol condensation oxidation aldolization bromodiketone.

The kodaistatins A-D b are natural products from Aspergillus terreus with the potential of representing leads for a novel cure of type-2 diabetes. They possess an unusually and highly substituted dihydroxycyclopentenone core. Whether its OH groups are cis- or trans-configured remained unknown by spectroscopy. Previous syntheses of kodaistatin model compounds (cis-5, cis- and trans-6) allowed to make NMR comparisons with kodaistatin A. These findings are corroborated by the synthesis and ensuing NMR study of another pair of cis/trans-isomeric kodaistatin models (cis- and trans-7) described here. Its first key-step was a syn-selective aldol addition An oxidation/reduction sequence allowed reaching to the corresponding anti-aldol. Each aldol furnished a kodaistatin model in eight addnl. steps. The most noteworthy transformation was an SmII-induced intramol. aldolization of a bromodiketone.

European Journal of Organic Chemistry published new progress about Aldol addition. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Graham, Samuel L.; Scholz, Thomas H. published the artcile< A new mode of reactivity of N-methoxy-N-methylamides with strongly basic reagents>, HPLC of Formula: 112-63-0, the main research area is methoxymethylamide decomposition formaldehyde; Weinreb ketone synthesis byproduct; thiophenesulfonamide ketone synthesis byproduct; lithium diisopropylamide decomposition methoxymethylamide.

Weinreb ketone synthesis using a thiophenesulfonamide (I, R = R1 = H) and (Me2CH)2NLi followed by MeOCH2CONMeOMe (II) gave, in addition to 49% the expected ketone (I, R = H, R1 = COCH2OMe), 15% an alc. (I, R = H, R1 = CH2OH). A mechanism involving a base catalyzed E2 elimination of CH2O from II followed by reaction with lithiated I (R = R1 = Li) is proposed for the byproduct.

Tetrahedron Letters published new progress about Acylation. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, HPLC of Formula: 112-63-0.

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

Liu, Junheng; Xu, Guangyang; Tang, Shengbiao; Chen, Qun; Sun, Jiangtao published the artcile< Site-Selective Functionalization of 7-Azaindoles via Carbene Transfer and Isolation of N-Aromatic Zwitterions>, Category: esters-buliding-blocks, the main research area is regioselective functionalization azaindole carbene transfer isolation zwitterion; azaindole diazoester alkylation ruthenium catalysis dearomatization aromatization.

The first systematic study on metal-carbene transfer reaction of 7-azaindoles has been conducted, and the unprecedented dearomative N7-alkylation reaction has been accomplished via ruthenium catalysis. Importantly, through a sequential dearomatization-aromatization process, an isolable, and new class of azaindole-based N-aromatic zwitterions has been discovered from the reaction of 7-azaindoles and diazoesters.

Organic Letters published new progress about Alkylation. 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

Beichel, Witali; Skrotzki, Julian; Klose, Petra; Njel, Christian; Butschke, Burkhard; Burger, Stephan; Liu, Lili; Thomann, Ralf; Thomann, Yi; Biro, Daniel; Thiele, Simon; Krossing, Ingo published the artcile< An Artificial SEI Layer Based on an Inorganic Coordination Polymer with Self-Healing Ability for Long-Lived Rechargeable Lithium-Metal Batteries>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is rechargeable lithium metal battery SEI layer coordination polymer.

Upon immersion of a lithium (Li) anode into a diluted 0.05 to 0.20 M dimethoxyethane solution of the phosphoric-acid derivative (CF3CH2O)2P(O)OH (HBFEP), an artificial solid-electrolyte interphase (SEI) is generated on the Li-metal surface. Hence, HBFEP reacts on the surface to the corresponding Li salt (LiBFEP), which is a Li-ion conducting inorganic coordination polymer. This film exhibits – due to the reversibly breaking ionic bonds – self-healing ability upon cycling-induced volume expansion of Li. The presence of LiBFEP as the major component in the artificial SEI is proven by ATR-IR and XPS measurements. SEM characterization of HBFEP-treated Li samples reveals porous layers on top of the Li surface with at least 3μm thickness. Li-Li sym. cells with HBFEP-modified Li electrodes show a three- to almost fourfold cycle-lifetime increase at 0.1 mA cm-2 in a demanding model electrolyte that facilitates fast battery failure (1 M LiOTf in TEGDME). Hence, the LiBFEP-enriched layer apparently acts as a Li-ion conducting protection barrier between Li and the electrolyte, enhancing the rechargeability of Li electrodes.

Batteries & Supercaps published new progress about Binding energy. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Melo, M. J.; Pina, Fernando; Macanita, Antonio L.; Melo, Eurico C.; Herrmann, Christiane; Foerster, Rolf; Koch, Helmut; Wamhoff, Heinrich published the artcile< Photochemistry of 2-(2-furyl)benzimidazole (Fuberidazole)>, COA of Formula: C19H34O2, the main research area is photolysis furylbenzimidazole; benzimidazole furyl photolysis; Fuberidazole photolysis.

The photodegradation of 2-(2-furyl)benzimidazole (Fuberidazole) has been reinvestigated employing advanced HPLC-UV/VIS technique and fluorescence emission and excitation spectroscopy in methanol at natural pH, in acidic medium and in aqueous solutions at pH 7 and 3; four main products, benzimidazole-2-carboxylic acid, its Me ester, 1-methoxybenzimidazole, and Me 4-oxo-2-benzimidazolecrotonate (cis and trans isomers), besides benzimidazole and 2,2′-bibenzimidazole and other side products, have been isolated and characterized. The kinetics of the photodegradation process were followed independently by HPLC-UV and fluorescence emission and showed significant similarity; this allowed monitoring of a photodegradation at very low concentrations (5 × 10-5-5 × 10-6 M). The quantum yield of disappearance of Fuberidazole has been determined

Zeitschrift fuer Naturforschung, B: Chemical Sciences published new progress about Photolysis. 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

Kammarabutr, Jirayu; Mahalapbutr, Panupong; Okumura, Hisashi; Wolschann, Peter; Rungrotmongkol, Thanyada published the artcile< Structural dynamics and susceptibility of anti-HIV drugs against HBV reverse transcriptase>, Formula: C19H34O2, the main research area is stavudine didanosine HBV reverse transcriptase structural dynamics; Antiviral drug discovery; hepatitis B virus; nucleoside analogue inhibitors; reverse transcriptase.

Hepatitis B virus (HBV), a small enveloped DNA virus, attacks the human liver causing both acute and chronic diseases. Current therapeutic drugs use the nucleos(t)ide analogs (NAs) as a competitive inhibitor against HBV reverse transcriptase (HBV-RT), an essential enzyme pivotally involved in viral replication. Unfortunately, this treatment still causes the development of resistant variants of HBV against NAs. As HBV-RT is homologous to the human immunodeficiency virus reverse transcriptase (HIV-RT), it is reasonable to treat HBV-RT with anti-HIV drugs. In the present study, we aimed to investigate the structural dynamics and susceptibility of the known anti-HIV drugs (stavudine [d4T], didanosine [DDI], and zidovudine [ZDV]) against HBV-RT enzyme in comparison to the anti-HBV drug lamivudine (3TC) and deoxythymidine triphosphate (dTTP) substrate using several computational approaches. The calculations revealed that seven polar residues (K32, R41, D83, S85, D205, N236, and K239) and three hydrophobic residues (A86, A87, and F88) of HBV-RT as well as the adjacent DNA strands play an important role in the ligand binding. In addition, the H-bond pattern of d4T is similar to that of 3TC, especially at the residues A86 and A87. Such interactions promote the favorable conformation of ligand in the HBV-RT binding pocket, while the several different conformations of ligand are found in the unbound state. The predicted binding free energy results based on QM/MM-GBSA and MM/GB(PB)SA methods suggested that the susceptibility towards HBV-RT of d4T and ZDV is higher than that of 3TC and dTTP. Altogether, this work sheds light on the potentiality of d4T and ZDV as a promising drug for HBV-infected patients harboring 3TC resistance.

Journal of Biomolecular Structure and Dynamics published new progress about Anti-hepatitis B virus agents. 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

Kim, Suntae; Jeon, Jang Su; Choi, Yong June; Baek, Ga Hee; Kim, Sang Kyum; Kang, Keon Wook published the artcile< Heterogeneity of glutamine metabolism in acquired-EGFR-TKI-resistant lung cancer>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is lung cancer glutamine metabolism heterogeneity; Acquired EGFR-TKI-resistant lung cancer; CB-839; CB-839 (Telaglenastat; Glutamine metabolism; PubChem CID: 71577426).

The purpose of this study was to evaluate the heterogeneities of glutamine metabolism in EGFR-TKI-resistant lung cancer cells and its potential as a therapeutic target. Cell proliferation and cell cycle assays was performed by IncuCyte real-time anal. and flow cytometry, resp. Tumor growth was assessed in xenografts implanted with HCC827 GR. An isotopologue anal. was conducted by LC-MS/MS using 13C-(U)-glutamine labeling to determine the amounts of metabolites. Cellular ATP and mitochondrial oxidative phosphorylation were determined by XFp anal. We found that the cell growth of the two acquired EGFR-TKI-resistant lung cancer cells lines (HCC827 GR and H292 ER) depends on glutamine. In HCC827 GR, glutamine deficiency caused reduced GSH synthesis and, subsequently, enhanced ROS generation relative to their parental cells, HCC827. On the other hand, in H292 ER, glutamine mainly acted as a carbon source for TCA-cycle intermediates, and its depletion led to reduced mitochondrial ATP production CB-839, a specific GLS inhibitor, inhibited the latters conversion of glutamine to glutamate and exerted enhanced anti-proliferating effects on the two acquired EGFR-TKI-resistant lung cancer cell lines vs. their parental cell lines. Moreover, oral administration of CB-839 significantly suppressed HCC827 GR tumor growth in the xenograft model. These findings suggest that glutamine dependency in acquired EGFR-TKI-resistant lung cancer is heterogeneous and that inhibition of glutamine metabolism by CB-839 may serve as a therapeutic tool for acquired EGFR-TKI-resistant lung cancer.

Life Sciences published new progress about Antiproliferative agents. 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