Month: October 2022

Moitessier, Nicolas; Maigret, Bernard; Chretien, Francoise; Chapleur, Yves published the artcile< Molecular dynamics-based models explain the unexpected diastereoselectivity of the Sharpless asymmetric dihydroxylation of allyl D-xylosides>, Application In Synthesis of 112-63-0, the main research area is xyloside ether stereoselective dihydroxylation AD mix; allyl xyloside asym dihydroxylation mol dynamics.

The catalytic asym. dihydroxylation of several allyl 2-O-benzyl-α-D-xylosides with AD-mix β and PYR(DHQD)2 shows almost no diastereofacial selectivity if the 3- and 4-OH groups are unprotected or acetylated. Acetal, benzyl ethers and benzoyl esters enhance the diastereoselectivity, in the opposite sense to that predicted by the “”AD mnemonic””, which is completely lost using AD-mix α. In an attempt to understand this behavior, computational studies of the asym. dihydroxylation (AD) of olefins using Sharpless’ and Corey’s catalysts have been carried out using mol. dynamics. A three-step algorithm was developed taking advantage of the enzyme-like behavior of catalyst-olefin systems and applied using an ESFF force field. To validate our approach, the first sampling step procedure was then refined and performed using a modified CVFF force field. This led to a U-shaped model in good agreement with that proposed by Corey for the AD of allyl 4-methoxybenzoates, which brings to the fore a role for the methoxy group. This model also accounts for the observed enantioselectivity of styrene dihydroxylation. When applied to the AD of allyl xylosides using AD-mix β, our model accounts well for the observed diastereoselectivity. Both synthetic and modeling results confirmed that aromatic groups on the olefin could be involved in π-π stacking interactions with the aromatic rings of the catalyst and should be important, if not a prerequisite, to achieve high enantio- and diastereoselectivity.

European Journal of Organic Chemistry published new progress about Dihydroxylation (stereoselective). 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

Pasti, Alberto Pietro; Rossi, Valentina; Di Stefano, Giuseppina; Brigotti, Maurizio; Hochkoeppler, Alejandro published the artcile< Human lactate dehydrogenase A undergoes allosteric transitions under pH conditions inducing the dissociation of the tetrameric enzyme>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is human lactate dehydrogenase allosteric transition pH tetrameric enzyme; allosteric regulation; enzyme kinetics; lactate dehydrogenase; lactic acid; liver.

The aerobic energetic metabolism of eukaryotic cells relies on the glycolytic generation of pyruvate, which is subsequently channelled to the oxidative phosphorylation taking place in mitochondria. However, under conditions limiting oxidative phosphorylation, pyruvate is coupled to alternative energetic pathways, e.g. its reduction to lactate catalyzed by lactate dehydrogenases (LDHs). This biochem. process is known to induce a significant decrease in cytosolic pH, and is accordingly denoted lactic acidosis. Nevertheless, the mutual dependence of LDHs action and lactic acidosis is far from being fully understood. Using human LDH-A, here we show that when exposed to acidic pH this enzyme is subjected to homotropic allosteric transitions triggered by pyruvate. Conversely, human LDH-A features Michaelis-Menten kinetics at pH values equal to 7.0 or higher. Further, citrate, isocitrate, and malate were observed to activate human LDH-A, both at pH 5.0 and 6.5, with citrate and isocitrate being responsible for major effects. Dynamic light scattering (DLS) experiments revealed that the occurrence of allosteric kinetics in human LDH-A is mirrored by a consistent dissociation of the enzyme tetramer, suggesting that pyruvate promotes tetramer association under acidic conditions. Finally, using the human liver cancer cell line HepG2 we isolated cells featuring cytosolic pH equal to 7.3 or 6.5, and we observed a concomitant decrease in cytosolic pH and lactate secretion. Overall, our observations indicate the occurrence of a neg. feedback between lactic acidosis and human LDH-A activity, and a complex regulation of this feedback by pyruvate and by some intermediates of the Krebs cycle.

Bioscience Reports published new progress about Cytosol. 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

Nath, Ipsita; Chakraborty, Jeet; Abednatanzi, Sara; Van Der Voort, Pascal published the artcile< A ′Defective′ Conjugated Porous Poly-Azo as Dual Photocatalyst>, Electric Literature of 112-63-0, the main research area is polyazo conjugated porous dual photocatalyst.

A heterogeneous photocatalyst amenable to catalyze different chem. reactions is a highly enabling and sustainable material for organic synthesis. Herein we report the synthesis and characterization of an azobenzene-based organic π-conjugated porous polymer (AzoCPP) as heterogeneous dual photocatalyst manifesting net-oxidative bromination of arenes and dehydroxylation of boronic acids to corresponding phenols. Hierarchical porosity and high surface area of the nano-sized AzoCPP allowed superior catalyst-substrate contact during catalyzes, whereas the inherent structural defect present in the CPP backbone resulted in low-energy sinks functioning as de facto catalytic sites. A combination of these two structure-property aspects of AzoCPP, in addition to the dielec. constant manipulation of the system, led to excellent catalytic performance. The protocols remained valid for a wide substrate scope and the catalyst was recycled multiple times without substantial loss in catalytic activity. With the aid of subsequent control experiments and anal. characterizations, mechanisms for each catalysis are proposed and duly corroborated.

Catalysts published new progress about Catalysis. 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

Tanaka, Hiroaki; Negoro, Kenji; Koike, Takanori; Tsukamoto, Issei; Yokoyama, Kazuhiro; Maeda, Jun; Inagaki, Yusuke; Shimoshige, Yukinori; Ino, Katsutoshi; Ishizu, Kenichiro; Takahashi, Taisuke published the artcile< Discovery and structure-activity relationships study of positive allosteric modulators of the M3 muscarinic acetylcholine receptor>, Reference of 623-50-7 , the main research area is muscle contraction mAChR PAMs SAR HTS pharmacokinetics allosteric enhancers; Allosteric enhancers; M(3) muscarinic acetylcholine receptor; Positive allosteric modulators.

The M3 muscarinic acetylcholine receptor (mAChR) is a member of the family of mAChRs, which are associated with a variety of physiol. functions including the contraction of various smooth muscle tissues, stimulation of glandular secretion, and regulation of a range of cholinergic processes in the central nerve system. We report here the discovery and a comprehensive structure-activity relationships (SARs) study of novel pos. allosteric modulators (PAMs) of the M3 mAChR through a high throughput screening (HTS) campaign. Compound 9(I) exhibited potent in vitro PAM activity towards the M3 mAChR and significant enhancement of muscle contraction in a concentration-dependent manner when applied to isolated smooth muscle strips of rat bladder. Compound 9 also showed excellent subtype selectivity over other subtypes of mAChRs including M1, M2, and M4 mAChRs, and moderate selectivity over the M5 mAChR, indicating that compound 9 is an M3-preferring M3/M5 dual PAM. Moreover, compound 9 displayed acceptable pharmacokinetics profiles after oral dosing to rats. These results suggest that compound 9 may be a promising chem. probe for the M3 mAChR for further investigation of its pharmacol. function both in vitro and in vivo.

Bioorganic & Medicinal Chemistry published new progress about High-throughput screening. 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, Reference of 623-50-7 .

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

Liang, Jesse; Sohrabi, Alireza; Epperson, Mary; Rad, Laila M.; Tamura, Kelly; Sathialingam, Mayilone; Skandakumar, Thamira; Lue, Philip; Huang, Jeremy; Popoli, James; Yackly, Aidan; Bick, Michael; Wang, Ze Zhong; Chen, Chia-Chun; Varuzhanyan, Grigor; Damoiseaux, Robert; Seidlits, Stephanie K. published the artcile< Hydrogel arrays enable increased throughput for screening effects of matrix components and therapeutics in 3D tumor models>, Reference of 112-63-0, the main research area is hydrogel array throughput screening matrix component therapeutics tumor model.

Cell-matrix interactions mediate complex physiol. processes through biochem., mech., and geometrical cues, influencing pathol. changes and therapeutic responses. Accounting for matrix effects earlier in the drug development pipeline is expected to increase the likelihood of clin. success of novel therapeutics. Biomaterial-based strategies recapitulating specific tissue microenvironments in 3D cell culture exist but integrating these with the 2D culture methods primarily used for drug screening has been challenging. Thus, the protocol presented here details the development of methods for 3D culture within miniaturized biomaterial matrixes in a multi-well plate format to facilitate integration with existing drug screening pipelines and conventional assays for cell viability. Since the matrix features critical for preserving clin. relevant phenotypes in cultured cells are expected to be highly tissue- and disease-specific, combinatorial screening of matrix parameters will be necessary to identify appropriate conditions for specific applications. The methods described here use a miniaturized culture format to assess cancer cell responses to orthogonal variation of matrix mechanics and ligand presentation. Specifically, this study demonstrates the use of this platform to investigate the effects of matrix parameters on the responses of patient-derived glioblastoma (GBM) cells to chemotherapy.

Journal of Visualized Experiments published new progress about Biological materials. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Reference of 112-63-0.

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

Portnova, Svetlana V.; Yamshchikova, Yulia F.; Krasnykh, Eugene L.; Nikitin, Eugene D.; Popov, Alexander P.; Faizullin, Mars Z. published the artcile< Vapor Pressure, Vaporization Enthalpies, Critical Parameters, and Heat Capacities of Alkyl Glycolates>, HPLC of Formula: 623-50-7 , the main research area is vapor pressure vaporization enthalpy heat capacity alkyl glycolate.

Developing biotechnol. methods to produce glycolic acid and alkyl glycolates requires knowledge of thermophys. and thermodn. data. Vapor pressures of linear alkyl glycolates HO-CH2-COO-(CH2)n-H with n = 1-8 were determined by the transpiration method. Standard molar enthalpies of vaporization at exptl. temperature and at 298.15 K were derived from the temperature dependence of the vapor pressure. The critical temperatures and pressures of alkyl glycolates were measured by the pulse-heating method. The exptl. data were successfully checked for internal consistency. Molar heat capacity of atm. pressure for liquid esters was measured by the method of differential scanning calorimetry in the temperature range 303-423 K. The molar liquid heat capacities at 298.15 K and atm. pressure of alkyl glycolates were calculated from the result of this work. The measured values were used for estimating prediction capabilities of group-contribution methods by Constantinou and Gani, Marrero and Gani, and Hukkerikar et al. for critical properties and Chickos and Acree, Domalski and Hearing, and Ceriani et al. for heat capacity at 298.15 K. Results of this study could be used for the design and optimization of the chem. processes of the utilization of renewable feedstock.

Journal of Chemical & Engineering Data published new progress about Critical pressure. 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, HPLC of Formula: 623-50-7 .

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

Nikpassand, Mohammad; Fekri, Leila Zare published the artcile< An In Situ Procedure; Grinding Synthesis of 4H-benzo[h]chromene-3- carbonitriles Using DBU-hydrobromide-perbromide>, HPLC of Formula: 112-63-0, the main research area is carbonitrile hydrobromide perbromide.

Background: A clean and environmentally benign route to 4H-benzo[h]chromene-3- carbonitriles has been developed via three-component condensation reaction of various benzyl alcs., malononitrile and 1-naphthol using DBU-hydrobromide-perbromide as an efficient oxidizing reagent at room temperature

Methodol.: The present methodol. offers several advantages such as solvent-free conditions, excellent yields, simple procedure, mild conditions and reduced environmental consequences.

Conclusion: All of synthesized compounds were characterized by IR, NMR and elemental analyses.

Current Green Chemistry published new progress about 112-63-0. 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

Montagna, Valentina; Haupt, Karsten; Gonzato, Carlo published the artcile< RAFT coupling chemistry: a general approach for post-functionalizing molecularly imprinted polymers synthesized by radical polymerization>, Recommanded Product: 2-Ethyl-2-((methacryloyloxy)methyl)propane-1,3-diyl bis(2-methylacrylate), the main research area is RAFT coupling chem imprinted polymer radical polymerization.

Molecularly imprinted polymers (MIPs) are well-known as antibody mimics, with binding properties for their target on a par with those of biomacromols. such as antibodies or enzymes. A great majority of MIPs is nowadays synthesized by free-radical polymerization (FRP), owing to the mild reaction conditions, tolerance for monomer and solvent impurities and high flexibility in terms of polymerization setups. Nevertheless, FRP MIPs lack suitable functionalities for a further elaboration of their structures via, for instance, extension with consecutive blocks. This results in practical limitations for FRP imprinted scaffolds in terms of adapting them to a given application. In this work, we show that FRP MIPs can easily be functionalized with “”living”” moieties for chain extension, by coupling a chain transfer (RAFT) agent to the ubiquitous unreacted double bonds on the MIP surface. Imprinted nanoparticles synthesized by precipitation polymerization, as well as microparticles obtained by bulk polymerization and mech. milling, were reacted with a dithioester or a trithiocarbonate in the presence of a radical source. This resulted in RAFT coupling which allowed the surface grafting of polymer brushes, while the imprinted scaffolds retained their binding properties in terms of template affinity and selectivity. Upon extension with poly(N-isopropylacrylamide) p(NIPAm), RAFT-coupled MIPs also acquired excellent binding properties in aqueous media, compared to unmodified particles which just exhibited non-specific binding. Thus, this easy approach, which takes advantage of a common feature of crosslinked particles obtained by FRP, is expected to be of general interest due to the easy post-modification and fine-tuning of the material’s surface properties.

Polymer Chemistry published new progress about Dithiocarboxylic acids, esters Role: PAC (Pharmacological Activity), BIOL (Biological Study). 3290-92-4 belongs to class esters-buliding-blocks, and the molecular formula is C18H26O6, Recommanded Product: 2-Ethyl-2-((methacryloyloxy)methyl)propane-1,3-diyl bis(2-methylacrylate).

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

Effenberger, Franz; Stelzer, Uwe published the artcile< Enzyme-catalyzed reactions. 15. Preparation of (R)-2-(sulfonyloxy) nitriles and their reactions with acetates. Inversion of the configuration of optically active cyanohydrins>, Synthetic Route of 112-63-0, the main research area is nitrile sulfonyloxy preparation transacylation; acetoxy nitrile preparation enzymic deacetylation; cyanohydrin configuration inversion.

(R)-R1SO3CHRCN (I, R = Pr, CH2CHMe2, CH2CH2SMe, cyclohexyl, cyclohexenyl; R1 = 4-MeC6H4, Me, CF3) were obtained in high optical purity by sulfonylation of (R)-HOCHRCN. In contrast to I, (R)-R1SO3CHPhCN (II) are unstable at higher temperature I react at room temperature with alkali acetates in a typical SN2 manner to give (S)-AcOCHRCN in high optical purity. Under these reaction conditions, II partly racemize and decompose Hydrolysis of (S)-AcOCHRCN gave (S)-I.

Chemische Berichte published new progress about Configuration. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Synthetic Route of 112-63-0.

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

Kanimozhi, S.; Prithviraj, Elumalai; Sumathy, Govindarajan published the artcile< Phytochemical and GC-MS analysis of Sphaeranthus amaranthoides Burm>, Electric Literature of 112-63-0, the main research area is Sphaeranthus amaranthoide burm phytochem GC MS analysis.

To isolate and evaluate the phytochem. constituents of Sphaeranthus amaranthoides using GC-MS. Preliminary phytochem. screening of the extract was carried out according to the standard method described by Brindha et al. GC-MS anal. was performed on the methanolic extract of S. amaranthoides to find out the chem. constituents. Phytochem. screening revealed the presence of steroids, alkaloids, sugars, phenolics, flavonoids, saponins, tannins, and amino acids to a spotted degree. GC-MS results revealed the presence of 15 different phytocompounds, viz., 3,4-Xylyl, 3,5-di-tert-butylbenzoate, n-Hexadecanoic acid, , 17.beta. -Hydroxy-6-oxo-4,5-secoandrostan-4-oic acid, 3-Cyclopenten-1-one, 3-hydroxy-2-(1-hydroxy-3-methylbutylidene)-5-(3-methyl-2-butenylidene)-5, 17.beta. -Hydroxy-6-oxo-4,5-secoandrostan-4-oic acid Me ester 6, Indan, 6-tert-butyl-4-ethyl-1,1-dimethyl -7, 9,12-Octadecadienoic acid (Z,Z)-, Me ester 10(E),12(Z)-Conjugated linoleic acid, 9-Octadecenoic acid, (E)-Octadecanoic acid, 9.12-Octadecadienoic acid (Z, Z)-, 2,3-dihydroxypropyl ester,1,8, 11-Heptadecatriene, (Z,Z)-, 11-Methyltricosane, Nonane, 5-butyl-, 1,3-Benzenedicarboxylic acid, bis (2-ethylhexyl) ester etc. The presence of various bioactive compounds confirms the application of Sphaeranthus amaranthoides for various diseases by means of a herbal system of treatments.

Natural Volatiles & Essential Oils published new progress about Alkaloids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 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