Tag: M.W=100-150

Hubert-Pfalzgraf, Liliane G. published the artcileCerium(IV) alkoxides with functional alcohols: synthesis and molecular structure of Ce2(O-iso-Pr)6(μ-OC2H4NMeC2H4NMe2)2, Computed Properties of 2212-32-0, the main research area is crystal structure cerium aminoethylaminoethanolato propoxo polynuclear; cerium aminoethylaminoethanolato propoxo polynuclear; ethanolato aminoethylamino cerium propoxo complex.

Reaction between [Ce(OCHMe2)4]m and the functional aminoalc. HOCH2CH2NMeCH2CH2NMe2 (HL) in different stoichiometries gave high yields of Ce2(OCHMe2)6L2 (1) and Ce3O4(OCHMe2)2L2 (2). 1 Which was characterized by x-ray diffraction is a centrosym. dimer in which all isopropoxo groups are terminal (Ce-O 2.130 Å average, < Ce-O-C 161.3°), while the functional alc. acts as a bridging chelating tridentate ligand, leading to heptacoordination of the metal. Polyhedron published new progress about Crystal structure. 2212-32-0 belongs to class alcohols-buliding-blocks, name is N2-(2-Hydroxyethyl)-N1,N1,N2-trimethyl-1,2-ethylenediamine, and the molecular formula is C7H18N2O, Computed Properties of 2212-32-0.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Di Martino, Catello published the artcileEffect of exogenous proline on the ethanolic tolerance and malolactic performance of Oenococcus oeni, Recommanded Product: (S)-2-hydroxysuccinic acid, the main research area is Oenococcus proline ethanolic tolerance malolactic performance; Ethanol tolerance; Lactic acid bacteria; Malolactic fermentation; l-proline.

Abstract: The use of malolactic starter cultures, often offer no guarantee of microbiol. success due to the chem. and phys. factors (pH, ethanol, SO2, nutrient availability) that occur during the winemaking process. This study was born with the aim of improving the performance of the lactic acid bacteria used as a starter culture in the de-acidification of wines. Two com. strains of Oenococcus oeni, were used. Was evaluated the effect of exogenous L-proline added during the bacterial growth, on the improvement of their survival in the presence of different ethanol concentrations and their ability to degrade L-malic acid in synthetic wine with the presence of 12% (volume/volume) and 13% (volume/volume) of ethanol. The results showed that L-proline improve ethanol tolerance and so the malolactic performances of O. oeni. This work represents an important strategy to ensure good vitality and improve the performance of the malolactic starter.

Journal of Food Science and Technology (New Delhi, India) published new progress about Growth, microbial. 97-67-6 belongs to class alcohols-buliding-blocks, name is (S)-2-hydroxysuccinic acid, and the molecular formula is C4H6O5, Recommanded Product: (S)-2-hydroxysuccinic acid.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Kong, Jiahui published the artcilePreparation of the key dolutegravir intermediate via MgBr2-promoted cyclization, Synthetic Route of 22483-09-6, the main research area is dolutegravir intermediate preparation; MgBr2-promoted cyclization; chemoselectivity; dolutegravir.

A novel approach for synthesizing the key dolutegravir intermediate is described via MgBr2-promoted intramol. cyclization. Condensation of com. available Me oxalyl chloride and Et 3-(N,N-dimethylamino)acrylate afforded the vinylogous amide in an excellent yield. Subsequent substitution by aminoacetaldehyde di-Me acetal and Me bromoacetate gave rise to the expected precursor for cyclization, which was promoted by MgBr2 to highly selectively convert into pyridinone diester. The key dolutegravir intermediate was finally prepared by the selective hydrolysis of the corresponding diester via LiOH.

Molecules published new progress about Heterocyclization. 22483-09-6 belongs to class alcohols-buliding-blocks, name is 2,2-Dimethoxyethanamine, and the molecular formula is C4H11NO2, Synthetic Route of 22483-09-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Warnau, Judith published the artcileCOSMO-RS predictions of logP in the SAMPL7 blind challenge, Safety of n-Octanol, the main research area is small drug mol logP COSMO RS simulation; 1-Octanol–water partition coefficient; COSMO-RS; COSMOtherm; logP prediction.

Abstract: We applied the COSMO-RS method to predict the partition coeffecient logP between water and 1-octanol for 22 small drug like mols. within the framework of the SAMPL7 blind challenge. We carefully collected a set of thermodynamically meaningful microstates, including tautomeric forms of the neutral species, and calculated the logP using the current COSMOtherm implementation on the most accurate level. With this approach, COSMO-RS was ranked as the 6st most accurate method (Measured by the mean absolute error (MAE) of 0.57) over all 17 ranked submissions. We achieved a root mean square deviation (RMSD) of 0.78. The largest deviations from exptl. values are exhibited by five SAMPL mols. (SM), which seem to be shifted in most SAMPL7 contributions. In context with previous SAMPL challenges, COSMO-RS demonstrates a wide range of applicability and one of the best in class reliability and accuracy among the phys. methods.

Journal of Computer-Aided Molecular Design published new progress about Molecules (small). 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Safety of n-Octanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Nichenko, Anna S. published the artcileLifelong Ulk1-mediated autophagy deficiency in muscle induces mitochondrial dysfunction and contractile weakness, Computed Properties of 97-67-6, the main research area is Ulk1 DRP1 BNIP3 Pink1 skeletal muscle mitochondrial dysfunction; aging; autophagy flux; mitophagy; neuromuscular junction; sarcopenia.

The accumulation of damaged mitochondria due to insufficient autophagy has been implicated in the pathophysiol. of skeletal muscle aging. Ulk1 is an autophagy-related kinase that initiates autophagosome assembly and may also play a role in autophagosome degradation (i.e., autophagy flux), but the contribution of Ulk1 to healthy muscle aging is unclear. Therefore, the purpose of this study was to investigate the role of Ulk1-mediated autophagy in skeletal muscle aging. At age 22 mo (80% survival rate), muscle contractile and metabolic function were assessed using electrophysiol. in muscle-specific Ulk1 knockout mice (MKO) and their littermate controls (LM). Specific peak-isometric torque of the ankle dorsiflexors (normalized by tibialis anterior muscle cross-sectional area) and specific force of the fast-twitch extensor digitorum longus muscles was reduced in MKO mice compared to LM mice (p < 0.03). Permeabilized muscle fibers from MKO mice had greater mitochondrial content, yet lower mitochondrial oxygen consumption and greater reactive oxygen species production compared to fibers from LM mice (p ≤ 0.04). Alterations in neuromuscular junction innervation patterns as well as changes to autophagosome assembly and flux were explored as possible contributors to the pathol. features in Ulk1 deficiency. Of primary interest, we found that Ulk1 phosphorylation (activation) to total Ulk1 protein content was reduced in older muscles compared to young muscles from both human and mouse, which may contribute to decreased autophagy flux and an accumulation of dysfunctional mitochondria. Results from this study support the role of Ulk1-mediated autophagy in aging skeletal muscle, reflecting Ulk1 0s dual role in maintaining mitochondrial integrity through autophagosome assembly and degradation International Journal of Molecular Sciences published new progress about Action potential. 97-67-6 belongs to class alcohols-buliding-blocks, name is (S)-2-hydroxysuccinic acid, and the molecular formula is C4H6O5, Computed Properties of 97-67-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Dominiak, Karolina published the artcileEffects of Endurance Training on the Coenzyme Q Redox State in Rat Heart, Liver, and Brain at the Tissue and Mitochondrial Levels: Implications for Reactive Oxygen Species Formation and Respiratory Chain Remodeling, Quality Control of 97-67-6, the main research area is voltage dependent anion channel 1 antioxidant oxidative stress adult; coenzyme Q; endurance training; mitochondrial energetics; reactive oxygen species.

Sixteen adult, 4-mo-old male Wistar rats were randomly assigned to the training group (n = 8) or the control group (n = 8). We elucidated the effects of 8 wk of endurance training on coenzyme Q (Q) content and the formation of reactive oxygen species (ROS) at the tissue level and in isolated mitochondria of the rat heart, liver and brain. We demonstrated that endurance training enhanced mitochondrial biogenesis in all tested organs, while a significant increase in the Q redox state was observed in the heart and brain, indicating an elevated level of QH2 as an antioxidant. Moreover, endurance training increased the mQH2 antioxidant pool in the mitochondria of the heart and liver, but not in the brain. At the tissue and isolated mitochondria level, an increase in ROS formation was only observed in the heart. ROS formation observed in the mitochondria of individual rat tissues after training may be associated with changes in the activity/amount of individual components of the oxidative phosphorylation system and its mol. organization, as well as with the size of the oxidized pool of mitochondrial Q acting as an electron carrier in the respiratory chain. Our indicate that tissue-dependent changes induced by endurance training in the cellular and mitochondrial QH2 pool acting as an antioxidant and in the mitochondrial Q pool serving the respiratory chain may serve important roles in energy metabolis, redox homeostasis and the level of oxidative stress.

International Journal of Molecular Sciences published new progress about Adult, mammalian. 97-67-6 belongs to class alcohols-buliding-blocks, name is (S)-2-hydroxysuccinic acid, and the molecular formula is C4H6O5, Quality Control of 97-67-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Giastas, Petros published the artcileHigh-resolution crystal structure of endoplasmic reticulum aminopeptidase 1 with bound phosphinic transition-state analogue inhibitor, Name: (S)-2-hydroxysuccinic acid, the main research area is endoplasmic reticulum aminopeptidase 1 ERAP1 crystal structure.

Endoplasmic reticulum aminopeptidase 1 (ERAP1) is an intracellular enzyme that helps generate peptides presented by Major Histocompatibility Complex Class I (MHC class I) mols. and is an emerging target for immunotherapy applications. Despite almost two decades of research on ERAP1, lack of high-resolution crystal structures has hampered drug-development efforts. By optimizing the protein construct, we obtained a high-resolution (1.60 Å) crystal structure of the closed-conformation of ERAP1 with a potent phosphinic pseudopeptide inhibitor bound in its active site. The structure provides key insight on the mechanism of inhibition as well as selectivity toward homologous enzymes and allows detailed mapping of the internal cavity of the enzyme that accommodates peptide-substrates. Bis-tris propane and malic acid mols., found bound in pockets in the internal cavity, reveal potential druggable secondary binding sites. The ability to obtain high-resolution crystal structures of ERAP1 removes a major bottleneck in the development of compounds that regulate its activity and will greatly accelerate drug-discovery efforts.

ACS Medicinal Chemistry Letters published new progress about Crystal structure. 97-67-6 belongs to class alcohols-buliding-blocks, name is (S)-2-hydroxysuccinic acid, and the molecular formula is C4H6O5, Name: (S)-2-hydroxysuccinic acid.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Huang, Xiaoping published the artcileSynthesis, characterization and SOD activity of bisbenzimidazole-based copper(II) complexes, Name: 2,2′-Oxydiacetic acid, the main research area is copper benzimidazole complex preparation crystal structure DFT; cyclic voltammetry SOD mimic activity copper benzimidazole complex.

Three bisbenzimidazole-copper(II) coordination complexes, [Cu(MIDB)(NO3)(CH3OH)](NO3) (1), [Cu(MIDB)(H2O)2](NO3)2 (2), and [Cu(ODB)2](ClO4)2 (3) (MIDB =N-Me bis(benzimidazol-2-ylmethyl) amine; ODB = bis(2-benzimidazolylmethyl) ether), were synthesized and characterized. The component ions in their crystals are linked by N-H…O, O-H… O, C-H…π and π…π interactions into three-dimensional networks which are quant. manifested by the Hirshfeld surface anal. Their frontier MO compositions and natural charge population were conducted theor. at the DFT/(UB3LYP)/6-31G+(d, p) level for the copper coordination units, indicating that the HOMO and LUMO orbitals are mainly contributed by the benzimidazole groups and the coordination bonds are stabilized by the delocalized stabilization energy between the lone-pair bonding orbitals from N and/or O atoms and the lone-pair anti bond orbitals of the copper center. The cyclic voltammetry showed irreversible one-electron redox reactions for the three complexes in DMF solutions SOD activity of 1 (IC50=1.34μM) was slightly better than that of 3 (IC50=1.36μM) by using the NBT method.

Journal of Molecular Structure published new progress about Crystal structure. 110-99-6 belongs to class alcohols-buliding-blocks, name is 2,2′-Oxydiacetic acid, and the molecular formula is C4H6O5, Name: 2,2′-Oxydiacetic acid.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Li, Chenfei published the artcileLuminescent Dinuclear Copper(I) Complexes Bearing an Imidazolylpyrimidine Bridging Ligand, Quality Control of 22483-09-6, the main research area is dinuclear copper imidazolylpyrimidine bridging complex preparation crystal mol structure; phosphorescence luminescence photophysics dinuclear copper imidazolylpyrimidine complex.

The synthesis and photophys. study of two dinuclear copper(I) complexes bearing a 2-(1H-imidazol-2-yl)pyrimidine bridging ligand are described. The tetrahedral coordination sphere of each copper center is completed through the use of a bulky bis(phosphine) ligand, either DPEphos or Xantphos. Temperature-dependent photophys. studies demonstrated emission through a combination of phosphorescence and thermally activated delayed fluorescence for both complexes, and an intense emission (ΦPL = 46%) was observed for a crystalline sample of one of the complexes reported. The photophysics of these two complexes is very sensitive to the environment. Two pseudopolymorphs of one of the dinuclear complexes were isolated, with distinct photophysics. The emission color of the crystals can be changed by grinding, and the differences in their photophysics before and after grinding are discussed.

Inorganic Chemistry published new progress about Crystal structure. 22483-09-6 belongs to class alcohols-buliding-blocks, name is 2,2-Dimethoxyethanamine, and the molecular formula is C4H11NO2, Quality Control of 22483-09-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Liu, Y. published the artcileSYNTHESIS AND CHARACTERIZATION OF A NEW COMPOUND 4-(2-CHLOROBENZYL)IMIDAZO[1,2-a] QUINAZOLIN-5(4H)-ONE: DFT STUDY, CRYSTAL STRUCTURE, MEP, AND HOMO-LUMO VALUES, Category: alcohols-buliding-blocks, the main research area is chlorobenzyl imidazolequinazolinone preparation crystal structure DFT.

The new 4-(2-chlorobenzyl)imidazole[1,2-a]quinazolin-5(4H)-one compound was designed, synthesized and used 1H and 13C NMR, FTIR spectroscopy and MS to determine its structure. In addition, the structure of the single crystal was confirmed using X-ray diffraction. The optimal structure of the compound was calculated by DFT using the B3LYP functional group (based on 6-311G(2d,p)) and compared with the structure determined by X-ray diffraction. The results show that the crystal structure determined by X-ray diffraction was consistent with the mol. structure optimized using DFT.

Journal of Structural Chemistry published new progress about Crystal structure. 22483-09-6 belongs to class alcohols-buliding-blocks, name is 2,2-Dimethoxyethanamine, and the molecular formula is C4H11NO2, Category: alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts