Month: December 2022

Soon, Geok Hong published the artcileSynthesis, co-polymerization, and electrochemical evaluation of novel ferrocene-pyrrole derivatives, Computed Properties of 23351-09-9, the publication is Analytical Letters (2011), 44(11), 1976-1995, database is CAplus.

New ferrocene derivatives, (6-(4-(1H-pyrrol-1-yl)phenoxy)hexyl) ferrocene (1) and ((4-(1H-pyrrol-1-yl)phenoxy)carbonyl) ferrocene (2) were synthesized, characterized, and electrochem. evaluated as redox active films formed via anodic oxidation with pyrrole. Thin film studies were conducted and films formed from both compounds resulted in a stable Fe^II/III redox couple with E^o = 0.035 V and 0.365 V vs. Ag/Ag⁺ for (1) and (2), resp. Both potential sweeping and chronocoulometry were employed for film formation with the former resulting in controllable, reproducible film deposition. Growth conditions and solution concentrations were varied to assess influence on electrochem. behavior. Surface coverage was of the order 10^-8-10^-9 mol cm^-2, surface confined behavior (i_p vs. ν) was evident up to 0.2 V s^-1 with semi-infinite diffusion (i_p vs. ν^1/2) dominating at higher scan rates. Laviron theory was employed where possible for the determination of electron transfer coefficient and rate constants

Analytical Letters published new progress about 23351-09-9. 23351-09-9 belongs to alcohols-buliding-blocks, auxiliary class Pyrrole,Benzene,Alcohol, name is 4-(1H-Pyrrol-1-yl)phenol, and the molecular formula is C11H14O2, Computed Properties of 23351-09-9.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Beattie, Deborah L. published the artcileRAFT aqueous dispersion polymerization of 4-hydroxybutyl acrylate: effect of end-group ionization on the formation and colloidal stability of sterically-stabilized diblock copolymer nanoparticles, Recommanded Product: 2-Phenylethanethiol, the publication is Polymer Chemistry (2022), 13(5), 655-667, database is CAplus.

A series of all-acrylic poly(2-hydroxyethyl acrylate)_x-poly(4-hydroxybutyl acrylate)_y (PHEA_x-PHBA_y) diblock copolymer nanoparticles were prepared via an efficient one-pot RAFT aqueous dispersion polymerization protocol using either a carboxylic acid-functionalized RAFT agent (HOOC-PHEA_x-PHBA_y) or a morpholine-functionalized RAFT agent (Mo-PHEA_x-PHBA_y). The pH-dependent colloidal stability of the resulting sterically-stabilized nanoparticles was assessed by dynamic light scattering and aqueous electrophoresis. The HOOC-PHEA₇₃-PHBA₂₁₇ nanoparticles exhibited reversible flocculation below pH 5.1, whereas the Mo-PHEA₇₆-PHBA₁₆₀ nanoparticles flocculated above pH 5. Moreover, the HOOC-PHEA₇₃-PHBA₂₁₇ nanoparticles proved to be sensitive to added salt, with incipient flocculation occurring in the presence of 20-60 mM KCl owing to charge screening. Thus, such nanoparticles require end-group ionization to confer colloidal stability via electrosteric stabilization. However, reducing the PHBA/PHEA molar ratio and/or increasing the PHEA_x stabilizer DP, leads to more efficient steric stabilization and hence enhanced colloidal stability. A series of HOOC-PHEA₇₃-PHBA_104-421 nano-objects prepared at pH 7 were characterized by visual inspection, DLS studies and shear-induced polarized light imaging. Discrepancies between these characterization techniques indicated that the worms and vesicles were unstable with respect to dilution TEM studies were conducted after covalent stabilization of the nano-objects using glutaraldehyde (GA). More specifically, TEM studies of GA-crosslinked HOOC-PHEA₇₃-PHBA₂₄₃ and HOOC-PHEA₇₃-PHBA₄₂₁ nano-objects indicated the presence of spheres in both cases when crosslinked at 0.1% weight/weight and either worms or vesicles resp., when crosslinked at 10-20% weight/weight Finally, HOOC-PHEA₇₃-PHBA₂₆₅ nano-objects were examined by variable temperature oscillatory rheol.; thermoreversible sphere/worm and worm/vesicle transitions were observed between 2 and 50°.

Polymer Chemistry published new progress about 4410-99-5. 4410-99-5 belongs to alcohols-buliding-blocks, auxiliary class Thiol,Benzene, name is 2-Phenylethanethiol, and the molecular formula is C8H10S, Recommanded Product: 2-Phenylethanethiol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Xia, Lizi published the artcileStructure-Affinity Relationships and Structure-Kinetic Relationships of 1,2-Diarylimidazol-4-carboxamide Derivatives as Human Cannabinoid 1 Receptor Antagonists, Product Details of C3H5F3O, the publication is Journal of Medicinal Chemistry (2017), 60(23), 9545-9564, database is CAplus and MEDLINE.

The synthesis and biol. evaluation of a series of 1,2-diarylimidazol-4-carboxamide derivatives, e.g. I, developed as CB₁ receptor antagonists is reported. These were evaluated in a radioligand displacement binding assay, a [³⁵S]GTPγS binding assay, and in a competition association assay that enables the relatively fast kinetic screening of multiple compounds The compounds show high affinities and a diverse range of kinetic profiles at the CB₁ receptor and their structure-kinetic relationships (SKRs) were established. Using the recently resolved hCB₁ receptor crystal structures, a modeling study was performed that sheds light on the crucial interactions for both the affinity and dissociation kinetics of this family of ligands. Evidence is provided that, next to affinity, addnl. knowledge of binding kinetics is useful for selecting new hCB₁ receptor antagonists in the early phases of drug discovery.

Journal of Medicinal Chemistry published new progress about 2240-88-2. 2240-88-2 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Aliphatic hydrocarbon chain,Alcohol, name is 3,3,3-Trifluoropropan-1-ol, and the molecular formula is C10H14O, Product Details of C3H5F3O.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Callari, Manuela published the artcileThe Effect of Drug Loading on Micelle Properties: Solid-State NMR as a Tool to Gain Structural Insight, Product Details of C12H20O6, the publication is Angewandte Chemie, International Edition (2017), 56(29), 8441-8445, database is CAplus and MEDLINE.

The present study highlights the importance of understanding the structural changes of micelles induced by drug loading on their physico-chem. properties. A block copolymer with attached fructose, which interacts with GLUT5 receptor, was used and conjugated with a low and a high amount of platinum drugs. Against expectations, the low-loading micelle, despite having a less defined morphol. and larger nanoparticle size according to TEM, displays higher cellular uptake and higher toxicity. This behavior can only be understood when elucidating addnl. information on the structure of micelles. Extensive solid-state NMR measurements were therefore employed to reveal that the drug loading affected swelling and mobility of core and shell of the micelle. The results obtained from solid-state NMR spectroscopy could explain all the observations on this system. In summary, solid-state NMR spectroscopy is an excellent tool to understand the effects of drug loading on the behavior of micelles.

Angewandte Chemie, International Edition published new progress about 20880-92-6. 20880-92-6 belongs to alcohols-buliding-blocks, auxiliary class Other Aliphatic Heterocyclic,Chiral,Alcohol, name is ((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol, and the molecular formula is C12H20O6, Product Details of C12H20O6.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Dias, Rafael Mafra P. published the artcileOne-pot synthesis of β-O-4 lignin models via the insertion of stable 2-diazo-1,3-dicarbonyls into O-H bonds, Formula: C15H16O3, the publication is Organic & Biomolecular Chemistry (2020), 18(25), 4815-4823, database is CAplus and MEDLINE.

Because lignin is a macromol. that is a sustainable source of aromatic compounds, model substrates are commonly used to increase our understanding of its complex structure. However, few methods have been described for the synthesis of these models. Herein, we describe a new route towards the synthesis of β-O-4 lignin models by intermol. O-H insertion reactions with simple and stable diazocarbonyls. The benefits of this developed method were shorter reaction times and high yields, as well as mild and environmentally friendly conditions.

Organic & Biomolecular Chemistry published new progress about 70110-65-5. 70110-65-5 belongs to alcohols-buliding-blocks, auxiliary class Benzene,Alcohol,Ether,Benzene Compounds, name is 2-Phenoxy-1-phenylpropane-1,3-diol, and the molecular formula is C15H16O3, Formula: C15H16O3.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Svoboda, Michal published the artcileMolecular characteristics and evidence for internalization of vasoactive intestinal peptide (VIP) receptors in the tumoral rat-pancreatic acinar cell line AR 4-2 J, Quality Control of 70539-42-3, the publication is European Journal of Biochemistry (1988), 176(3), 707-13, database is CAplus and MEDLINE.

VIP receptors were investigated in the tumoral acinar cell line AR 4-2 J derived from rat pancreas. After incubation with 20 nM dexamethasone, the binding capacity increased twofold but affinities were unchanged. External [¹²⁵I]iodo-VIP binding to intact cells reached steady state after 5 min at 37°, whereas the sequestration-internalization of the [¹²⁵I]iodo-VIP-receptor complex (tested by cold acid washing) increased progressively, reaching 75% of total binding after 1 h. This phenomenon was blocked at 4°. Further data with dexamethasone, tunicamycin, cycloheximide, low temperature, and/or phenylarsine oxide suggested a half-life of 2 days for VIP receptors and the necessity of N-glycosylation for proper translocation. For chem. [¹²⁵I]iodo-VIP crosslinking, bis[2-(succinimidooxycarbonyloxy)ethyl]sulfone gave the best yield when compared with five other bifunctional reagents. In membranes, the main specifically cross-linked peptide had M_r 66,000 under nonreducing conditions, and migrated with lower velocity (-5%) under reducing conditions. Crosslinking was suppressed by VIP, peptide His-IleNH₂ and helodermin (competitively) and also by GTP. In intact cells, the M_r of [¹²⁵I]iodo-VIP-cross-linked peptides depended on the mode of cell solubilization. After direct solubilization, the major cross-linked radioactivity migrated as a smear of M_r 130,000-180,000 but an M_r-66,000 peptide was also detectable. In contrast, the solubilization of cross-linked cells detached by mild trypsinization gave mainly the M_r-66,000 labeled peptide. This suggests that most VIP receptors in intact, attached cells were in a high-M_r complex and that mild cell treatment was sufficient to disrupt this complex.

European Journal of Biochemistry published new progress about 70539-42-3. 70539-42-3 belongs to alcohols-buliding-blocks, auxiliary class pyrrolidine,Ester,Amide,Inhibitor,Inhibitor, name is Bis(2,5-dioxopyrrolidin-1-yl) O,O’-ethane-1,2-diyl disuccinate, and the molecular formula is C6H13NO2, Quality Control of 70539-42-3.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Barton, Benita published the artcileAn investigation of the complexation of host N,N’-bis(9-phenyl-9-thioxanthenyl)ethylenediamine with dihaloalkane guests, Related Products of alcohols-buliding-blocks, the publication is Journal of Inclusion Phenomena and Macrocyclic Chemistry (2017), 89(1-2), 105-116, database is CAplus.

Two wheel-and-axle host compounds were synthesized and assessed for their host ability. After growing crystals of N,N’-bis(9-phenyl-9-thioxanthenyl)ethylenediamine from various alkyl halide solvents, we discovered that this host is highly proficient for the enclathration of these guest types. However, the novel compound N,N’-bis(9-phenyl-9-xanthenyl)-1,6-hexamethylenediamine, bearing the more flexible axle, showed no inclusion ability whatsoever. Competition experiments where the title host compound was recrystallized from equimolar binary and ternary mixtures of CH₂Cl₂, CH₂Br₂ and CH₂I₂ showed this host to have a selectivity in the order CH₂Br₂ > CH₂I₂ > CH₂Cl₂ for these guests. Varying the molar ratios of guests in these mixtures beyond equimolar revealed that the host remained selective for the bromine derivative whenever it was present, even at low dibromomethane concentrations Single crystal X-ray diffraction data and, more specifically, host-guest interactions in the crystal, were used to explain the selectivity order; lattice energies were also considered in this context. The relative thermal stabilities of the three complexes, obtained from thermal experiments, showed that the selectivity order and these thermal stabilities are unrelated.

Journal of Inclusion Phenomena and Macrocyclic Chemistry published new progress about 596-38-3. 596-38-3 belongs to alcohols-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Benzene,Alcohol, name is 9-Phenyl-9H-xanthen-9-ol, and the molecular formula is C19H14O2, Related Products of alcohols-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Taladrid, Diego published the artcileHypertension- and glycaemia-lowering effects of a grape-pomace-derived seasoning in high-cardiovascular risk and healthy subjects. Interplay with the gut microbiome, Synthetic Route of 621-37-4, the publication is Food & Function (2022), 13(4), 2068-2082, database is CAplus and MEDLINE.

Grape pomace (GP) is a winery byproduct rich in polyphenols and dietary fiber. Some recent results suggest that GP-derived extracts could be promising additives in food, specially recommended for low-salt diets. The hypothesis tested in this paper is that the regular consumption of GP-derived seasonings could help in the control of hypertension and glycemia. A randomized intervention study (6 wk) was performed in high-risk cardiovascular subjects (n = 17) and in healthy subjects (n = 12) that were randomly allocated into intervention (2 g day-1 of GP seasoning) or control (no seasoning consumed) groups. Blood samples, faeces, urine and blood pressure (BP) were taken at the baseline and at the end of the intervention. Faecal samples were analyzed for microbiota composition (16S rRNA gene sequencing) and microbial-derived metabolites (short chain fatty acids and phenolic metabolites). Among the clin. parameters studied, BP and fasting blood glucose significantly decreased (p < 0.05) after the seasoning intervention, but not for the control group. Notably, application of a novel approach based on ASV (Amplicon Sequence Variant) co-occurrence networks allowed us to identify some bacterial communities whose relative abundances were related with metadata. Our primary findings suggest that GP-seasoning may help in the modulation of cardiometabolic risk factors, mainly in the early stages. Furthermore, it evidences modulation of gut microbiota and functional bacterial communities by grape pomace, which might mediate the cardiometabolic effects of this byproduct.

Food & Function published new progress about 621-37-4. 621-37-4 belongs to alcohols-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Phenol,Natural product, name is 3-Hydroxyphenylacetic acid, and the molecular formula is 0, Synthetic Route of 621-37-4.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Roque, Ana Carolina Abbud Hanna published the artcileConformational analysis for infrared spectroscopy and theoretical calculations of some 2-bromo-2-propyl 2-aryl-acetates, ibuprofen and naproxen analogs, SDS of cas: 55376-31-3, the publication is Journal of Molecular Structure (2021), 130027, database is CAplus.

Conformational anal. of new para-substituted 2-bromo-2-Pr 2-aryl-acetates (Y = H, OMe, Cl, and NO₂) (R1), ibuprofen (R2), and naproxen (R3) analogs using IR (IR) spectroscopy and theor. calculations was performed to determine the preferential conformers of these compounds in solvents with increasing polarity (CCl₄, CH₃Cl, and CH₃CN). The aryl-bromo-esters were synthesized via the esterification of 2-bromo-2-methylpropan-1-ol and the corresponding carboxylic acids, with good yields (∼36-70%). The IR spectra showed that these compounds presented only one conformation, and the exptl. data were supported by the theor. results obtained by d. functional theory (DFT) calculations using the 6311+G (2df, 2p) basis set. The calculations revealed that all the studied compounds presented two stable geometric conformations, which agrees with the data obtained exptl. in CCl₄. Theses conformers are stabilized by intramol. hydrogen bonds. However, the orbital interaction calculations using the natural bond orbital (NBO) method showed that the η_O→σ*_C-C,η_O→σ*_C-O, η_O→σ*_C-O and η_O→π*_C-O hyper-conjugations are the main interactions that stabilize the conformations. The compounds preferentially adopt the anti-conformation because the steric effect between the gauche bromo and oxygen atoms overrides the hyper-conjugative interactions, in addition to the stabilizing σ_C-H→ σ*_C-Br interactions in the conformers.

Journal of Molecular Structure published new progress about 55376-31-3. 55376-31-3 belongs to alcohols-buliding-blocks, auxiliary class Polymerization Reagents,ATRP Initiators, name is 2-Bromo-2-methylpropan-1-ol, and the molecular formula is C4H9BrO, SDS of cas: 55376-31-3.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Goulart, Enio G. published the artcileAnthemintic drugs. Their ovicidal and larvicidal actions, Category: alcohols-buliding-blocks, the publication is Revista Brasileira de Medicina (1974), 31(11), 791-4, database is CAplus.

Of 9 chemotherapeutic anthelmintics tested in vitro against eggs and larvae of Ascaris lumbricoides, Trichuris trichiura, and Ancylostoma caninum, pyrantel pamoate [22204-24-6] and tetrachloroethylene [127-18-4] (10 and 100 mg each) inhibited development of A. caninum; similar results were obtained with 1 mg tetramisole-HCl (I-HCl) [5086-74-8] and thiabendazole (II) [148-79-8]. Stilbazium iodide [3784-99-4], pyrvinium pamoate [3546-41-6], and bephenium hydroxynaphthoate [3818-50-6] showed anthelmintic activity which was directly related to the concentrations None of the compounds tested showed embryogenic blocking activity against A. lumbricoides or T. trichiura. Prophylactic treatments of contaminated soil or organic fertilizer are apparently ineffective.

Revista Brasileira de Medicina published new progress about 3818-50-6. 3818-50-6 belongs to alcohols-buliding-blocks, auxiliary class Anti-infection,Antiparasitic, name is N-Benzyl-N,N-dimethyl-2-phenoxyethanaminium 3-hydroxy-2-naphthoate, and the molecular formula is C28H29NO4, Category: alcohols-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts