Month: December 2022

Schmidt, Tobias published the artcileBiotransformation of trans-1-chloro-3,3,3-trifluoropropene (trans-HCFO-1233zd), Product Details of C3H5F3O, the publication is Toxicology and Applied Pharmacology (2013), 268(3), 343-351, database is CAplus and MEDLINE.

Trans-1-Chloro-3,3,3-trifluoropropene (trans-HCFO-1233zd) is a novel foam blowing and precision cleaning agent with a very low impact for global warming and ozone depletion. trans-HCFO-1233zd also has a low potential for toxicity in rodents and is neg. in genotoxicity testing. The biotransformation of trans-HCFO-1233zd and kinetics of metabolite excretion with urine were assessed in vitro and in animals after inhalation exposures. For in vitro characterization, liver microsomes from rats, rabbits and humans were incubated with trans-HCFO-1233zd. Male Sprague Dawley rats and female New Zealand White rabbits were exposed to 2,000, 5,000 and 10,000 ppm for 6 h and urine was collected for 48 h after the end of the exposure. Study specimens were analyzed for metabolites using ¹⁹F NMR, LC-MS/MS and GC/MS. S-(3,3,3-trifluoro-trans-propenyl)-glutathione was identified as predominant metabolite of trans-HCFO-1233zd in all microsomal incubation experiments in the presence of glutathione. Products of the oxidative biotransformation of trans-HCFO-1233zd were only minor metabolites when glutathione was present. In rats, both 3,3,3-trifluorolactic acid and N-acetyl-(3,3,3-trifluoro-trans-propenyl)-L-cysteine were observed as major urinary metabolites. 3,3,3-Trifluorolactic acid was not detected in the urine of rabbits. Quantitation showed rapid excretion of both metabolites in both species (t_1/2 < 6 h) and the extent of biotransformation of trans-HCFO-1233zd was determined as approx. 0.01% of received dose in rabbits and approx. 0.002% in rats. trans-HCFO-1233zd undergoes both oxidative biotransformation and glutathione conjugation at very low rates. The low extent of biotransformation and the rapid excretion of metabolites formed are consistent with the very low potential for toxicity of trans-HCFO-1233zd in mammals.

Toxicology and Applied Pharmacology 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 C3H5F3O, Product Details of C3H5F3O.

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

Azarani, A. published the artcileElectron transfer reactions between excited diarylmethyl and triarylmethyl carbocations and aromatic donors, Computed Properties of 596-38-3, the publication is Journal of Photochemistry and Photobiology, A: Chemistry (1991), 57(1-3), 175-89, database is CAplus.

The excited singlet states of diarylmethyl and triarylmethyl carbocations were characterized by fluorescence. The dibenzosuberenyl, xanthenyl, and 9-phenylxanthenyl cations are strongly fluorescent and have fluorescence lifetimes in the 30-40 ns range in 2,2,2-trifluoroethanol. The fluorescence of each of these cations is efficiently quenched by a variety of substituted aromatics (e.g., cumene, anisole, toluene) with rate constants in excess of 10⁹ M^-1 s^-1. There is a correlation between the observed rate constants and the oxidation potential of the aromatic quencher which suggests that an electron transfer process occurs to generate a radical/radical cation pair. This hypothesis is confirmed by irradiation of the dibenzosuberenyl cation in the presence of benzyltrimethylsilane. This reaction produces 5-benzyldibenzocycloheptene, which is formed by addition of the benzyl radical produced via cleavage of the silane radical cation to either the dibenzosuberenyl radical or cation. Quenching studies suggest that the efficiency of product formation is controlled by the competition between cage escape and back electron transfer for the initial geminate radical/radical ion pair.

Journal of Photochemistry and Photobiology, A: 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, Computed Properties of 596-38-3.

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

Johnson, Wilbur Jr. published the artcileSafety assessment of alkyl glyceryl ethers as used in cosmetics, Formula: C11H24O3, the publication is International Journal of Toxicology (2013), 32(5S), 5S-21S, database is CAplus and MEDLINE.

A review. Alkyl glyceryl ethers function mostly as skin-conditioning agents in cosmetic products applied to the skin and hair. The Cosmetic Ingredient Review expert panel reviewed the available animal toxicity and clin. data, including the low dermal absorption, and concluded that the alkyl glyceryl ethers are safe in the present practices of use and concentration described in this safety assessment.

International Journal of Toxicology published new progress about 70445-33-9. 70445-33-9 belongs to alcohols-buliding-blocks, auxiliary class Aliphatic Chain, name is 3-((2-Ethylhexyl)oxy)propane-1,2-diol, and the molecular formula is C11H24O3, Formula: C11H24O3.

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

Alanthadka, Anitha published the artcileNickel-Catalyzed Double Dehydrogenative Coupling of Secondary Alcohols and β-Amino Alcohols To Access Substituted Pyrroles, SDS of cas: 96-20-8, the publication is Journal of Organic Chemistry (2019), 84(21), 13557-13564, database is CAplus and MEDLINE.

Herein, we demonstrate the first nickel-catalyzed double dehydrogenative condensation of secondary alcs. and β-amino alcs. in one pot to the pyrrole derivatives A series of 2,5- and 2,3,5-substituted pyrroles were obtained in â‰?3% yield, releasing water and hydrogen gas as byproducts. Initial mechanistic studies, including defined Ni catalyst, deuterium labeling experiments, quant. determination of hydrogen gas evaluation, and detection of water generation in the reaction mixture, were performed.

Journal of Organic Chemistry published new progress about 96-20-8. 96-20-8 belongs to alcohols-buliding-blocks, auxiliary class Amine,Aliphatic hydrocarbon chain,Alcohol, name is 2-Aminobutan-1-ol, and the molecular formula is C4H11NO, SDS of cas: 96-20-8.

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

Aly, Nesma published the artcileCosmetic Potential of a Recombinant 50 kDa Protein, Category: alcohols-buliding-blocks, the publication is Cosmetics (2022), 9(1), 8, database is CAplus.

Collagen and its derivative proteins have been widely used as a major component for cosmetic formulations as a natural ingredient and moisturizer. Most com. available collagens are animal-derived collagen type I and other forms of collagen, such as type III collagen, are far less prevalent in animals, making extraction and purification extremely difficult and expensive. Here, we report the production of a 50 kDa protein produced in yeast that is 100% identical to the N-terminus of the human type III collagen. This recombinant protein has a larger mol. weight than most incumbent recombinant collagen proteins available for personal care applications. We report the industrialization of both the fermentation and purification processes to produce a final recombinant protein product. This final protein product was shown to be safe for general applications to human skin and compatible with common formulation protocols, including ethanol-based formulations. This recombinant collagen type III protein was also shown to uniquely stimulate both collagen type I and type III production and secretion by primary human dermal fibroblasts. The unique combination of biostimulation, compatibility with beauty product formulations and demonstrated com. production, make this novel recombinant type III collagen a good candidate for broad application in the cosmetics industry.

Cosmetics published new progress about 111-29-5. 111-29-5 belongs to alcohols-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ploymers, name is Pentane-1,5-diol, and the molecular formula is C5H12O2, Category: alcohols-buliding-blocks.

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

Guan, Renpeng published the artcileDecarboxylative oxygenation of carboxylic acids with O₂via a non-heme manganese catalyst, HPLC of Formula: 90-64-2, the publication is Green Chemistry (2022), 24(7), 2946-2952, database is CAplus.

Decarboxylative oxygenation of carboxylic acids using a non-heme manganese catalyst under blue light irradiation with O₂ as the sole oxidant. Featuring mild reaction conditions, the protocol allowed readily available carboxylic acids to be converted into a wide variety of valuable aldehydes, ketones and amides. Mechanistic studies indicated that the decarboxylation and oxygenation involved the formation of active Mn-oxygen species.

Green Chemistry published new progress about 90-64-2. 90-64-2 belongs to alcohols-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Alcohol,Natural product, name is 2-Hydroxy-2-phenylacetic acid, and the molecular formula is C8H8O3, HPLC of Formula: 90-64-2.

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

Hayes, Nandini V. L. published the artcileSelective calcium-dependent interaction of calmodulin with the head domain of synapsin 1, SDS of cas: 70539-42-3, the publication is Biochemical Journal (1991), 275(1), 93-7, database is CAplus and MEDLINE.

The calcium-dependent regulatory protein calmodulin is a critical element in the machinery regulating exocytosis at nerve terminals. T. Okabe and K. Sobue (1987) showed that calmodulin interacts with one of the proteins intimately connected with the neuronal exocytotic process, i.e. synapsin 1. Here, the site at which calmodulin interacts with synapsin 1 was studied. It is possible to generate chem. crosslinked Ca²⁺-dependent complexes between synapsin 1 and calmodulin in vitro, and covalent crosslinking was used in conjunction with calmodulin affinity chromatog. to identify fragments of synapsin 1 that interact with calmodulin. Ca²⁺-dependent calmodulin binding is restricted to the head domain (residues 1-453 in bovine synapsin 1). Within this domain the binding site is located in a unique 11-kDa Staphylococcus aureus V8 proteinase-generated fragment. This fragment does not contain the site for cAMP-dependent phosphorylation and therefore does not represent the N terminus of the protein.

Biochemical Journal 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 C18H20N2O12, SDS of cas: 70539-42-3.

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

Van de Voorde, Babs published the artcilePotential of poly(alkylene terephthalate)s to control endothelial cell adhesion and viability, Related Products of alcohols-buliding-blocks, the publication is Materials Science & Engineering, C: Materials for Biological Applications (2021), 112378, database is CAplus and MEDLINE.

Poly(ethylene terephthalate) (PET) is known for its various useful characteristics, including its applicability in cardiovascular applications, more precisely as synthetic bypass grafts for large diameter (â‰?6 mm) blood vessels. Although it is widely used, PET is not an optimal material as it is not interactive with endothelial cells, which is required for bypasses to form a complete endothelium. Therefore, in this study, poly(alkylene terephthalate)s (PATs) have been studied. They were synthesized via a single-step solution polycondensation reaction, which requires mild reaction conditions and avoids the use of a catalyst or additives like heat stabilizers. A homologous series was realized in which the alkyl chain length varied from 5 to 12 methylene groups (n = 5-12). Molar masses up to 28,000 g/mol were obtained, while various odd-even trends were observed with modulated differential scanning calorimetry (mDSC) and rapid heat-cool calorimetry (RHC) to access the thermal properties within the homologous series. The synthesized PATs have been subjected to in vitro cell viability assays using Human Umbilical Vein Endothelial Cells (HUVECs) and Human Dermal Microvascular Endothelial Cells (HDMECs). The results showed that HUVECs adhere and proliferate most pronounced onto PAT(n = 9) surfaces, which could be attributed to the surface roughness and morphol. as determined by at. force microscopy (AFM) (i.e. R_q = 204.7 nm). HDMECs were investigated in the context of small diameter vessels and showed superior adhesion and proliferation after seeding onto PAT_(n ₌ ₆₎ substrates. These preliminary results already pave the way towards the use of PAT materials as substrates to support endothelial cell adhesion and growth. Indeed, as superior endothelial cell interactivity compared to PET was observed, time-consuming and costly surface modifications of PET grafts could be avoided by exploiting this novel material class.

Materials Science & Engineering, C: Materials for Biological Applications published new progress about 111-29-5. 111-29-5 belongs to alcohols-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ploymers, name is Pentane-1,5-diol, and the molecular formula is C20H17FO4S, Related Products of alcohols-buliding-blocks.

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

Lazarus, Robert A. published the artcileMechanism of hydrolysis of phosphorylethanolamine triesters. Multiple catalytic effects of an intramolecular amino group, Safety of 2-((2,2,2-Trifluoroethyl)amino)ethanol, the publication is Journal of the American Chemical Society (1979), 101(15), 4300-12, database is CAplus.

Intramol. displacement reactions at P are examined in N-alkyl-O-(arylphenylphosphoryl)ethanolamines in 45% dioxane-water (volume) at 35°. The examination of the pH-rate profiles, the detection of external buffer catalysis, and the observation of D solvent effects reveal the concurrent operation of 3 types of P-O bond cleavage mechanisms: electrostatic catalysis by the protonated ammonium moiety of external nucleophilic attack by buffer bases at D, general base-catalyzed intramol. nucleophilic attack by the amino function to form the cyclic phosphoramidate, and intramol. amine-assisted water displacement of the substituted phenol. A Broensted plot for the general base-catalyzed cyclization reaction supports either a concerted mechanism for the cyclization process bypassing the formation of a pentacovalent intermediate with a discrete lifetime or a mechanism involving H bonding stabilization of the rate-determining decomposition of the intermediate providing that this is faster than the diffusion away of the catalyst. In either case the lifetime of the pentacovalent intermediate is <10^-12s.

Journal of the American Chemical Society published new progress about 371-99-3. 371-99-3 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethylated Building Blocks, name is 2-((2,2,2-Trifluoroethyl)amino)ethanol, and the molecular formula is C4H8F3NO, Safety of 2-((2,2,2-Trifluoroethyl)amino)ethanol.

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

Lazarus, Robert A. published the artcileMechanism of hydrolysis of phosphorylethanolamine diesters. Intramolecular nucleophilic amine participation, Computed Properties of 371-99-3, the publication is Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999) (1980), 373-9, database is CAplus.

Intramol. displacement reactions at P in 7 RNHCH₂CH₂OP(O)(O^–)OAr (R = Et, Ar = substituted Ph) and 4 analogs (R = MeOCH₂CH₂, CF₃CH₂) were examined by pH-rate profiles and ³¹P NMR of the products of hydrolysis in H₂O at 35° and ionic strength 1.0 (KCl). The amine has a nucleophilic role. A rate enhancement of 10^6-7 is observed Structure-reactivity correlations derived using different pK_a values for amines and leaving groups give Broensted β_nucleophile and β_1g values of â‰?.7 and and â‰?1.25, resp. An uncoupled concerted mechanism is involved. The role of amine and oxyanion groups in the nucleophilic reactions of di- and triesters is discussed. Changing the catalyst from carboxy to an amino group increases the reactivity of a diester 1000-fold compared with a triester.

Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999) published new progress about 371-99-3. 371-99-3 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethylated Building Blocks, name is 2-((2,2,2-Trifluoroethyl)amino)ethanol, and the molecular formula is C4H8F3NO, Computed Properties of 371-99-3.

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