Author: tianli

Baek, Myung-Jin published the artcileLow band gap conjugated polymers consisting of alternating dodecyl thieno[3,4-b]thiophene-2-carboxylate and one or two thiophene rings: Synthesis and photovoltaic property, SDS of cas: 239075-02-6, the publication is Synthetic Metals (2010), 160(11-12), 1197-1203, database is CAplus.

In order to develop conjugated polymers with low band gaps and deep HOMO levels, copolymers consisting of alternating dodecyl thieno[3,4-b]thiophene-2-carboxylate and one (DTT-T₁) or two thiophene rings (DTT-T₂) were synthesized. The estimated optical band gap and HOMO level of DTT-T₁ and DTT-T₂ were ∼1.58/1.61 and ∼-5.15/-5.20 eV, resp., indicating that the polymers have relatively low band gaps and deep HOMO levels, as compared to many other reported polymers. Photovoltaic devices were fabricated using DTT-T₂ and a fullerene derivative (PCBM), and whose power conversion efficiency was 0.21% under the illumination of AM 1.5 (100 mW/cm²). The low conversion efficiency of the devices was attributed to the inefficiency of exciton formation due to the low absorption coefficient and self-quenching of the polymer and the un-optimized device conditions.

Synthetic Metals published new progress about 239075-02-6. 239075-02-6 belongs to alcohols-buliding-blocks, auxiliary class Thiophene,Boronic acid and ester,Boronate Esters, name is 5,5′-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,2′-bithiophene, and the molecular formula is C20H28B2O4S2, SDS of cas: 239075-02-6.

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

Shim, Young Key published the artcileNew synthetic route to 1,4-dihydropyridine monoacid derivatives, Quality Control of 101-98-4, the publication is Taehan Hwahakhoe Chi (1988), 32(2), 144-8, database is CAplus.

A novel synthetic route to 1,4-dihydropyridine mono carboxylic acid derivatives is described. Allyl Me 2,6-dimethyl-4-(3′-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate I (R = allyl) was treated with Pd(OAc)₂ in dioxane for 30 min at 100° C with reflux to give the mono acid I (R = H; II) in 94% yield. II was converted to Nicardipine (I, R = CH₂CH₂NMeCH₂Ph) and its derivatives in 70∼85% yield.

Taehan Hwahakhoe Chi published new progress about 101-98-4. 101-98-4 belongs to alcohols-buliding-blocks, auxiliary class Amine,Benzene,Alcohol, name is 2-(Benzyl(methyl)amino)ethanol, and the molecular formula is C10H10CoF6P, Quality Control of 101-98-4.

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

Tessensohn, Malcolm E. published the artcileMeasuring the Relative Hydrogen-Bonding Strengths of Alcohols in Aprotic Organic Solvents, Safety of 3,3,3-Trifluoropropan-1-ol, the publication is ChemPhysChem (2015), 16(1), 160-168, database is CAplus and MEDLINE.

Voltammetric experiments with 9,10-anthraquinone and 1,4-benzoquinone performed under controlled moisture conditions indicate that the hydrogen-bond strengths of alcs. in aprotic organic solvents can be differentiated by the electrochem. parameter ΔE_p^red = |E_p^red(1)-E_p^red(2)|, which is the potential separation between the two 1-electron reduction processes. This electrochem. parameter is inversely related to the strength of the interactions and can be used to differentiate between primary, secondary, tertiary alcs., and even diols, as it is sensitive to both their steric and electronic properties. The results are highly reproducible across two solvents with substantially different hydrogen-bonding properties (CH₃CN and CH₂Cl₂) and are supported by d. functional theory calculations The numerous solvent-alc. interactions are less significant than the quinone-alc. hydrogen-bonding interactions. The utility of ΔE_p^red was illustrated by comparisons between (1) 3,3,3-trifluoro-n-propanol and 1,3-difluoroisopropanol and (2) ethylene glycol and 2,2,2-trifluoroethanol.

ChemPhysChem 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 C6H12Br2, Safety of 3,3,3-Trifluoropropan-1-ol.

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

Duraiswamy, Athisayamani Jeyaraj published the artcileDiscovery and Optimization of a Porcupine Inhibitor, Application In Synthesis of 23351-09-9, the publication is Journal of Medicinal Chemistry (2015), 58(15), 5889-5899, database is CAplus and MEDLINE.

Wnt proteins regulate various cellular functions and serve distinct roles in normal development throughout life. Wnt signaling is dysregulated in various diseases including cancers. Porcupine (PORCN) is a membrane-bound O-acyltransferase that palmitoleates the Wnts and hence is essential for their secretion and function. The inhibition of PORCN could serve as a therapeutic approach for the treatment of a number of Wnt-dependent cancers. Herein, the authors describe the identification of a Wnt secretion inhibitor from cellular high throughput screening. Classical SAR based cellular optimization provided us with a PORCN inhibitor I with nanomolar activity and excellent bioavailability that demonstrated efficacy in a Wnt-driven murine tumor model. Finally, the authors also discovered that enantiomeric PORCN inhibitors show very different activity in the reporter assay, suggesting that such compounds may be useful for mode of action studies on the PORCN O-acyltransferase.

Journal of Medicinal Chemistry 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 C10H9NO, Application In Synthesis of 23351-09-9.

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

Gerard, Baudouin published the artcileSynthesis of Stereochemically and Skeletally Diverse Fused Ring Systems from Functionalized C-Glycosides, Category: alcohols-buliding-blocks, the publication is Journal of Organic Chemistry (2013), 78(11), 5160-5171, database is CAplus and MEDLINE.

A diversity-oriented synthesis (DOS) strategy was developed for the synthesis of stereochem. diverse fused-ring systems containing a pyran moiety. Each scaffold contains an amine and Me ester for further diversification via amine capping and amide coupling. Scaffold diversity was evaluated in comparison to previously prepared scaffolds by a shape-based principal moments of inertia (PMI) anal.

Journal of Organic Chemistry published new progress about 57044-25-4. 57044-25-4 belongs to alcohols-buliding-blocks, auxiliary class Epoxides,Chiral,Aliphatic hydrocarbon chain,Alcohol, name is (R)-Oxiran-2-ylmethanol, and the molecular formula is C3H6O2, Category: alcohols-buliding-blocks.

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

Shin, Seoungwoo published the artcileAnti-skin-aging activity of a standardized extract from Panax ginseng leaves in vitro and in human volunteer, Synthetic Route of 70445-33-9, the publication is Cosmetics (2017), 4(2), 18/1-18/12, database is CAplus.

Ginseng leaves contain high saponin composition and content, but are used less often than the root part. To develop a use for the leaves that exploits their properties, we studied ginseng leaves as the raw material of anti-aging cosmetics. This study highlights an assessment of the cellular activity and clin. efficacy of ginseng leaf extract, providing necessary information relevant to the development of new cosmetic products. Panax ginseng leaf purified extracts (PGLE) were shown to have high contents of Rb3 and Rb2. Rb3, the major chem. components of PGLE, promoted collagen synthesis though the activation of transforming growth factor-β (TGF-β) in human skin fibroblast cells. In addition, the possibility of PGLE as an anti-skin-aging agent has also been clin. validated. Our anal. of the crow’s feet wrinkle showed that there was a decrease in the depth of deep furrows in the region of interest (RI) treated with PGLE lotion over an eight-week period. Based on these results, we suggest the possibility that PGLE, having high levels of Rb3, be considered as an attractive, wrinkle-reducing candidate for topical application.

Cosmetics 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 C15H14O, Synthetic Route of 70445-33-9.

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

Park, Sung Min published the artcilePopulation pharmacokinetic and pharmacodynamic modeling of transformed binary effect data of triflusal in healthy Korean male volunteers: a randomized, open-label, multiple dose, crossover study, Computed Properties of 328-90-5, the publication is BMC Pharmacology and Toxicology (2014), 75/1-75/21, 21 pp., database is CAplus and MEDLINE.

Background Triflusal is a drug that inhibits platelet aggregation. In this study we investigated the dose-exposure- response relationship of a triflusal formulation by population pharmacokinetic (PK) and pharmacodynamic (PD) modeling of its main active metabolite, hydroxy-4-(trifluoromethyl) benzoic acid (HTB). Methods This study was a randomized, open-label, multiple-dose, two-period, two-treatment, comparative crossover design. All volunteers received a single oral loading dose of 900 mg of triflusal on Day 1, followed by a dose of 600 mg/day from Day 2 to 9. Using data from 34 healthy volunteers, 476 HTB plasma concentration data points and 340 platelet aggregation data points were used to construct PK and PD models resp. using NONMEM (version 6.2). As the PD endpoint was qual., we implemented binary anal. of ‘inhibition’ and ‘non-inhibition’ rather than using the actual value of the test. The final PK-PD model was evaluated using a visual predictive check (VPC) and bootstrap. Results The time-concentration profile of HTB over the entire dosing period was described by a one-compartment model with a first-order formation rate constant for HTB. Weight was selected as a covariate for clearance and volume of triflusal, resp. The structure and the population estimates for triflusal PK were as follows: oral clearance (CL/F) = 0.2 · (weight/71.65)0.845 L/h, oral volume of distribution (V/F) = 8.3 · (weight/71.65) L, and kf = 0.341 h-1. A sigmoid relationship between triflusal concentration and the probability of significant inhibition with shape factor was chosen as the final PD model. No time delay between concentration and response was identified. The final structure between predicted concentration (Cpred,ij γ) and the probability of inhibition of platelet aggregation (IPA) relationship was as follows: Probability of IPA = Cpred,ij19 / (84.9 μg/mL19 + Cpred,ij19). Thus, we concluded this relationship is more like quantal concentration-response relationship. The current dosing regimen was considered to be efficacious based on the EC50 estimate of 84.9 μg/mL obtained in this study. Conclusions A PK and binary probability PD model of triflusal was successfully developed for Korean healthy volunteers. The model may be used to further prediction inhibition of platelet aggregation by triflusal.

BMC Pharmacology and Toxicology published new progress about 328-90-5. 328-90-5 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Carboxylic acid,Benzene,Phenol, name is 2-Hydroxy-4-(trifluoromethyl)benzoic acid, and the molecular formula is C8H5F3O3, Computed Properties of 328-90-5.

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

Park, Seung Koo published the artcileHighly fluorinated and photocrosslinkable liquid prepolymers for flexible optical waveguides, Quality Control of 129301-42-4, the publication is Journal of Materials Chemistry (2011), 21(6), 1755-1761, database is CAplus.

We evaluate highly fluorinated liquid prepolymers and their UV-cured films for flexible optical waveguide applications. Two liquid prepolymers, 2,3,5,6,2′,3′,5′,6′-octafluoro-4,4′-bis-[2-{2-[1,1-difluoro-2-(2,3,5,6-tetrafluoro-4-vinyl-phenoxy)-ethoxy]-1,1,2,2-tetrafluoro-ethoxy}-2,2-difluoro-ethoxy]-biphenyl (7) and 2,3,5,6,2′,3′,5′,6′-octafluoro-4,4′-bis-[2-(2-{2-[1,1-difluoro-2-(2,3,5,6-tetrafluoro-4-vinyl-phenoxy)-ethoxy]-1,1,2,2-tetrafluoro-ethoxy}-1,1,2,2-tetrafluoro-ethoxy)-2,2-difluoro-ethoxy]-biphenyl (8), are synthesized with decafluorobiphenyl, 2,3,4,5,6-pentafluoro styrene, and fluorinated triethylene glycol or fluorinated tetraethylene glycol. The prepolymers are photocurable to give flexible and transparent films. The refractive indexes of the films made from the prepolymers are controlled with their blending composition, 1.417-1.437 at a wavelength of 1.31 μm. The optical losses of the films prepared from prepolymers 7 and 8 are 0.25 and 0.23 dB cm^-1 at a wavelength of 1.31 μm, resp. The films are thermostable at temperatures over 400°. The ultimate stress, initial modulus, and elongation of the films prepared from prepolymers 7 and 8 are 17.1 MPa, 1.25 GPa, and 1.5% and 12.3 MPa, 0.44 GPa, and 6.9%, resp. Optical waveguides fabricated from the prepolymers are flexible without any substrate film and the optical losses at a bending radius of 1.5 mm are under 0.2 dB. We identify the liquid prepolymers as possible good candidate materials for flexible optical waveguide applications by studying the optical transmission in flexible optical waveguides fabricated from them.

Journal of Materials Chemistry published new progress about 129301-42-4. 129301-42-4 belongs to alcohols-buliding-blocks, auxiliary class Fluoride,Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2,2′-((Perfluoroethane-1,2-diyl)bis(oxy))bis(2,2-difluoroethanol), and the molecular formula is C6H6F8O4, Quality Control of 129301-42-4.

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

Lee, Seo Yoon published the artcilepH-Dependent interaction mechanism of lignin nanofilms, Recommanded Product: 2-Phenylethanethiol, the publication is Nanoscale (2021), 13(46), 19568-19577, database is CAplus and MEDLINE.

Lignin has been spotlighted as an abundant renewable bioresource for use in material technologies and applications such as biofuels, binders, composites, and nanomaterials for drug delivery. However, owing to its complex and irregular structure, it is difficult to investigate its fundamental interaction mechanism, which is necessary to promote its use. In this study, a surface forces apparatus (SFA) was used to investigate the pH-dependent mol. interactions between a lignin nanofilm and five functionalized self-assembled monolayers (SAMs). The lignin nanofilm adhered most strongly to the amine-functionalized SAM, indicating that the mol. interactions with lignin were mainly electrostatic and cation-π interactions. The force-distance profile between lignin and a methyl-functionalized SAM revealed pH-dependent interactions similar to those between two lignin nanofilms. This finding indicates that the dominant cohesion mechanism is hydrophobic interactions. A quartz crystal microbalance with dissipation was used to investigate the adsorption of free lignin mols. on functionalized SAMs. Lignin mols., which were free in solution, were most effectively adsorbed to the phenyl-functionalized SAM. To investigate whether the nanoscopic interaction forces could be extended to macroscopic properties, the compressive strength of activated carbon-lignin composites prepared at different pH values was evaluated. As the pH increased, the compressive strength decreased owing to the reduced hydrophobic interactions between the activated carbon and lignin, consistent with the SFA results. These quant. results regarding lignin interactions can advance the potential use of lignin as an eco-friendly biomaterial.

Nanoscale 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

Choi, Younghun published the artcileIdentification, quantification, and prioritization of new emerging pollutants in domestic and industrial effluents, Korea: Application of LC-HRMS based suspect and non-target screening, Application of Triisopropanolamine, the publication is Journal of Hazardous Materials (2021), 123706, database is CAplus and MEDLINE.

The present study was designed to identify recently (or rarely) recognized or unreported substances (RRS or URS) contained in the effluents from water treatment plants in two industrialized urban areas, Gumi and Daegu, in Korea. In addition to 30 initial targets, 72 substances were identified through suspect and non-target screening (SNTS). Among them were 4 RRSs and 22 URSs, resp. The quant. analyses were applied to 35 pharmaceuticals, 15 pesticides, 13 poly-/perfluorinated alkyl substances (PFASs), 2 organophosphate flame retardants (OPFRs), 2 corrosion inhibitors, and 3 metabolites. The highest average concentration was observed for benzotriazole, followed by those for niflumic acid, and metformin. Effluents from Gumi mainly contained benzotriazole and metformin whereas niflumic acid and tramadol were the major components in effluents from Daegu. According to a scoring system based on risk relevant parameters, higher priorities were given to telmisartan, PFOA, and cimetidine. Yet, priorities for some substances were area specific (e.g., benzotriazole from Gumi, PFASs from Daegu), reflecting differences in industry profiles and populations. Many of the RRSs and URSs were recognized as potential hazards. The new identifications and evaluations should be taken into consideration for constant monitoring and management, as do the previously recognized contaminants.

Journal of Hazardous Materials published new progress about 122-20-3. 122-20-3 belongs to alcohols-buliding-blocks, auxiliary class Organic Pigment, name is Triisopropanolamine, and the molecular formula is C9H21NO3, Application of Triisopropanolamine.

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