Author: tianli

Gasparic, Jiri published the artcileIdentification of organic compounds. XL. Chromatographic methods for analyzing mixtures of alkyl phenols, SDS of cas: 1139-46-4, the publication is Journal of Chromatography (1961), 408-17, database is CAplus.

cf. CA 55, 12157e. Mixtures of alkyl phenols (I) were obtained by alkylation of the phenols with isobutylene or diisobutylene. Monohydric I were separated and identified by paper chromatog. in solvent systems including HCONMe₂/C₆H₁₄ or paraffin oil/MeOH/H₂O. HCONH₂-impregnated paper and the solvent system C₆H₆/CHCl₃ are recommended for separating alkyl derivatives of pyrocatechols. For anal. purposes, the pyrocatechol derivatives can also be separated on polyamide powder columns with aqueous alc. as eluent. I and alkylcresols are also separated and identified by gas chromatog. on a nonpolar (silicone oil) and a polar (Polydiol 400 3,5-dinitrobenzoate) liquid phase. R_f values in 6 solvent systems and colors with o-chloro-p-nitroaniline (before and after spraying with O.1N NaOH) and diazotized sulfanilic acid are tabulated for PhOH and 25 I. R_f values are also tabulated for pyrocatechol and 4 alkylated derivatives in 3 solvent systems. Retention volumes are given for PhOH and 15 I.

Journal of Chromatography published new progress about 1139-46-4. 1139-46-4 belongs to alcohols-buliding-blocks, auxiliary class Benzene,Phenol, name is 4-(2,4,4-Trimethylpentan-2-yl)benzene-1,2-diol, and the molecular formula is C14H22O2, SDS of cas: 1139-46-4.

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

Tian, Zhenyu published the artcileSuspect and Nontarget Screening for Contaminants of Emerging Concern in an Urban Estuary, Safety of Triisopropanolamine, the publication is Environmental Science & Technology (2020), 54(2), 889-901, database is CAplus and MEDLINE.

This study used suspect and nontarget screening with high-resolution mass spectrometry to characterize the occurrence of contaminants of emerging concern (CECs) in the nearshore marine environment of Puget Sound (WA). In total, 87 non-polymeric CECs were identified; those confirmed with reference standards (45) included pharmaceuticals, herbicides, vehicle-related compounds, plasticizers, and flame retardants. Eight polyfluoroalkyl substances were detected; perfluorooctanesulfonic acid (PFOS) concentrations were as high as 72-140 ng/L at one location. Low levels of methamphetamine were detected in 41% of the samples. Transformation products of pesticides were tentatively identified, including two novel transformation products of tebuthiuron. While a hydrodynamic simulation, anal. results, and dilution calculations demonstrated the prevalence of wastewater effluent to nearshore marine environments, the identity and abundance of selected CECs revealed the addnl. contributions from stormwater and localized urban and industrial sources. For the confirmed CECs, risk quotients were calculated based on concentrations and predicted toxicities, and eight CECs had risk quotients >1. Dilution in the marine estuarine environment lowered the risks of most wastewater-derived CECs, but dilution alone is insufficient to mitigate risks of localized inputs. These findings highlighted the necessity of suspect and nontarget screening and revealed the importance of localized contamination sources in urban marine environments.

Environmental Science & Technology 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 C4H12N2O2S, Safety of Triisopropanolamine.

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

Scuotto, M. published the artcileOutstanding effects on antithrombin activity of modified TBA diastereomers containing an optically pure acyclic nucleotide analogue, Recommanded Product: (R)-Oxiran-2-ylmethanol, the publication is Organic & Biomolecular Chemistry (2014), 12(28), 5235-5242, database is CAplus and MEDLINE.

Herein, we report optically pure modified acyclic nucleosides as ideal probes for thrombin binding aptamer (TBA) modification. These new monomers offer unique advantages in exploring the role played in thrombin inhibition by a single residue modification at key positions of the TBA structure.

Organic & Biomolecular 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 C16H20N2, Recommanded Product: (R)-Oxiran-2-ylmethanol.

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

Espinosa, Emmanuelle Pales published the artcileLectins associated with the feeding organs of the oyster Crassostrea virginica can mediate particle selection, Recommanded Product: (2R,3S,4S,5S,6R)-2-(Hydroxymethyl)-6-(4-isothiocyanatophenoxy)tetrahydro-2H-pyran-3,4,5-triol, the publication is Biological Bulletin (Woods Hole, MA, United States) (2009), 217(2), 130-141, database is CAplus and MEDLINE.

Despite advances in the study of particle selection in suspension-feeding bivalves, the mechanisms upon which bivalves rely to discriminate among particles have not been elucidated. We hypothesized that particle sorting in suspension-feeding bivalves could be based, in part, on a biochem. recognition mechanism mediated by lectins within the mucus that covers the feeding organs. Using Crassostrea virginica, the Eastern oyster, our investigations demonstrated that lectins from oyster mucus can specifically bind several microalgal species as well as different types of red blood cells (RBC), triggering their agglutination. Agglutination of microalgal species and RBC varied with the source of mucus (gills vs. labial palps). Hemagglutination and hemagglutination inhibition assays emphasized that mucus contains several lectins. In feeding experiments, Nitzschia closterium and Tetraselmis maculata were sep. incubated with mucus before being fed to oysters. Results showed that pre-treating these microalgae with mucus significantly alters the ability of oysters to sort particles. In another experiment, oysters were fed a mixture of microspheres coated with either bovine serum albumin (BSA) or glucosamide-BSA. Results show that oysters preferentially ingest microspheres with bound carbohydrates, highlighting probable interactions between lectins and carbohydrates in the mechanisms of microalgae recognition. This study confirms the presence of lectins in mucus that covers the feeding organs of oysters and suggests a new concept with regard to particle processing by suspension-feeding bivalves: specific interactions between carbohydrates on the surface of particles and lectins within the mucus mediate the selection and rejection processes.

Biological Bulletin (Woods Hole, MA, United States) published new progress about 96345-79-8. 96345-79-8 belongs to alcohols-buliding-blocks, auxiliary class Sugar Units,Gal and Man, name is (2R,3S,4S,5S,6R)-2-(Hydroxymethyl)-6-(4-isothiocyanatophenoxy)tetrahydro-2H-pyran-3,4,5-triol, and the molecular formula is C13H15NO6S, Recommanded Product: (2R,3S,4S,5S,6R)-2-(Hydroxymethyl)-6-(4-isothiocyanatophenoxy)tetrahydro-2H-pyran-3,4,5-triol.

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

Linclau, Bruno published the artcileIntramolecular OH…Fluorine Hydrogen Bonding in Saturated, Acyclic Fluorohydrins: The γ-Fluoropropanol Motif, Formula: C3H5F3O, the publication is Chemistry – A European Journal (2015), 21(49), 17808-17816, database is CAplus and MEDLINE.

Fluorination is commonly exercised in compound property optimization. However, the influence of fluorination on hydrogen-bond (HB) properties of adjacent functional groups, as well as the HB-accepting capacity of fluorine itself, is still not completely understood. Although the formation of OH…F intramol. HBs (IMHBs) was established for conformationally restricted fluorohydrins, such interaction in flexible compounds remained questionable. Herein is demonstrated for the first time-and in contrast to earlier reports-the occurrence of OH…F IMHBs in acyclic saturated γ-fluorohydrins, even for the parent 3-fluoropropan-1-ol. The relative stereochem. has a crucial influence on the corresponding ^h1J(OH…F) values, as illustrated by syn- and anti-4-fluoropentan-2-ol (6.6 and 1.9 Hz). The magnitude of OH…F IMHBs and their strong dependence on the overall mol. conformational profile, fluorination motif, and alkyl substitution level, is rationalized by quantum chem. calculations For a given alkyl chain, the rule of shielding applies to OH…F IMHB energies. Surprisingly, the predicted OH…F IMHB energies are only moderately weaker than these of the corresponding OH…OMe. These results provide new insights of the impact of fluorination of aliphatic alcs., with attractive perspectives for rational drug design.

Chemistry – A European Journal 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, Formula: C3H5F3O.

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

Wang, Shiru published the artcileCoupling Suspect and Nontarget Screening with Mass Balance Modeling to Characterize Organic Micropollutants in the Onondaga Lake-Three Rivers System, COA of Formula: C9H21NO3, the publication is Environmental Science & Technology (2021), 55(22), 15215-15226, database is CAplus and MEDLINE.

Characterizing the occurrence, sources, and fate of organic micropollutants (OMPs) in lake-river systems serves as an important foundation for constraining the potential impacts of OMPs on the ecosystem functions of these critical landscape features. In this work, we combined suspect and nontarget screening with mass balance modeling to investigate OMP contamination in the Onondaga Lake-Three Rivers system of New York. Suspect and nontarget screening enabled by liquid chromatog.-high-resolution mass spectrometry led to the confirmation and quantification of 105 OMPs in water samples collected throughout the lake-river system, which were grouped by their concentration patterns into wastewater-derived and mixed-source clusters via hierarchical cluster anal. Out of these 105 OMPs, four OMPs (i.e., galaxolidone, diphenylphosphinic acid, N-butylbenzenesulfonamide, and triisopropanolamine) were prioritized and identified by nontarget screening based on their characteristic vertical distribution patterns during thermal stratification in Onondaga Lake. Mass balance modeling performed using the concentration and discharge data highlighted the export of OMPs from Onondaga Lake to the Three Rivers as a major contributor to the OMP budget in this lake-river system. Overall, this work demonstrated the utility of an integrated screening and modeling framework that can be adapted for OMP characterization, fate assessment, and load apportionment in similar surface water systems.

Environmental Science & Technology 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 C7H7ClN2S, COA of Formula: C9H21NO3.

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

Nuin, Edurne published the artcilePhotosensitivity to triflusal: formation of a photoadduct with ubiquitin demonstrated by photophysical and proteomic techniques, Product Details of C8H5F3O3, the publication is Frontiers in Pharmacology (2016), 277/1-277/8, database is CAplus and MEDLINE.

Triflusal is a platelet aggregation inhibitor chem. related to acetylsalicylic acid, which is used for the prevention and/or treatment of vascular thromboembolisms, which acts as a prodrug. Actually, after oral administration it is absorbed primarily in the small intestine, binds to plasma proteins (99%) and is rapidly biotransformed in the liver into its deacetylated active metabolite 2-hydroxy-4-trifluoromethylbenzoic acid (HTB). In healthy humans, the half-life of triflusal is ca. 0.5 h, whereas for HTB it is ca. 35 h. From a pharmacol. point of view, it is interesting to note that HTB is itself highly active as a platelet anti-aggregant agent. Indeed, studies on the clin. profile of both drug and metabolite have shown no significant differences between them. It has been evidenced that HTB displays ability to induce photoallergy in humans. This phenomenon involves a cell-mediated immune response, which is initiated by covalent binding of a light-activated photosensitizer (or a species derived therefrom) to a protein. In this context, small proteins like ubiquitin could be appropriate models for investigating covalent binding by means of MS/MS and peptide fingerprint anal. In previous work, it was shown that HTB forms covalent photoadducts with isolated lysine. Interestingly, ubiquitin contains seven lysine residues that could be modified by a similar reaction. With this background, the aim of the present work is to explore adduct formation between the triflusal metabolite and ubiquitin as model protein upon sunlight irradiation, combining proteomic and photophys. (fluorescence and laser flash photolysis) techniques. Photophys. and proteomic anal. demonstrates monoadduct formation as the major outcome of the reaction. Interestingly, addition can take place at any of the ε-amino groups of the lysine residues of the protein and involves replacement of the trifluoromethyl moiety with a new amide function. This process can in principle occur with other trifluoroarom. compounds and may be responsible for the appearance of undesired photoallergic side effects.

Frontiers in Pharmacology 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, Product Details of C8H5F3O3.

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

Molins-Molina, Oscar published the artcilePhotobinding of triflusal to human serum albumin investigated by fluorescence, proteomic analysis, and computational studies, Application In Synthesis of 328-90-5, the publication is Frontiers in Pharmacology (2019), Consuelo 1028, database is CAplus and MEDLINE.

Triflusal is a platelet antiaggregant employed for the treatment and prevention of thromboembolic diseases. After administration, it is biotransformed into its active metabolite, the 2-hydroxy-4-trifluoromethylbenzoic acid (HTB). We present here an investigation on HTB photobinding to human serum albumin (HSA), the most abundant protein in plasma, using an approach that combines fluorescence, MS/MS, and peptide fingerprint anal. as well as theor. calculations (docking and mol. dynamics simulation studies). The proteomic anal. of HTB/HSA photolyzates shows that HTB addition takes place at the e-amino groups of the Lys137, Lys199, Lys205, Lys351, Lys432, Lys525, Lys541 and Lys545 residues and involves replacement of the trifluoromethyl moiety of HTB with a new amide function. Only Lys199 is located in an internal pocket of the protein, and the remaining modified residues are placed in the external part. Docking and mol. dynamic simulation studies reveal that HTB supramol. binding to HSA occurs in the “V-cleft” region and that the process is assisted by the presence of Glu/Asp residues in the neighborhood of the external Lys, in agreement with the exptl. observed modifications. In principle, photobinding can occur with other trifluoroarom. compounds and may be responsible for the appearance of undesired photoallergic side effects.

Frontiers in Pharmacology 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, Application In Synthesis of 328-90-5.

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

Montes, Victor A. published the artcileUltrafast Dynamics of Triplet Excitons in Alq₃-Bridge-Pt(II)porphyrin Electroluminescent Materials, Formula: C20H28B2O4S2, the publication is Journal of the American Chemical Society (2007), 129(42), 12598-12599, database is CAplus and MEDLINE.

Excited-state dynamics are crucial for maximizing the performance of organic light-emitting diodes (OLEDs). Because electron-hole recombination yields singlet and triplet excited states in a 3:1 ratio, it is important to harvest the energy of triplets in light-emitting processes. Self-assembled multichromophore electroluminescent materials consisting of a trisquinolinolate Al(III) (Alq₃) donor, fluorene-based conjugated oligomers as a bridge, and Pt(II) tetraphenylporphyrin as an acceptor and phosphorescent emitter are described. In these materials, the energy of singlet as well as triplet states is harvested and emitted as red phosphorescence from the porphyrin acceptor. Attention was devoted to the triplet exciton dynamics, which was studied by ultrafast transient spectroscopy, and the observations are compared with phosphorescence in thin films and with electroluminescence from OLEDs. Exothermicity of the forward Alq₃-to-fluorene bridge triplet transfer appears to be a less stringent requirement for triplet transfer electroluminescence. In contradistinction, the energy alignment between the bridge and Pt(II)porphyrin emitter is of crucial importance. The triplet exciton dynamics has a dominant effect on the electroluminescence properties of conjugated donor-bridge-acceptor materials. The triplet-energy transfer operates on an ultrafast time scale (k_TTET = (4-6) × 10¹⁰ s^-1) and requires careful energy alignment of the components (³ΔE_D-B ≈ ³ΔE_B-A ≥ 0.1 eV) to prevent endothermic energy transfer and severe quenching of the electroluminescence. This is the 1st time triplet dynamics was directly observed in donor-acceptor electroluminescent materials and direct connection to device efficiency was established.

Journal of the American Chemical Society 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, Formula: C20H28B2O4S2.

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

Leal-Duaso, Alejandro published the artcileGlycerol as a source of designer solvents: physicochemical properties of low melting mixtures containing glycerol ethers and ammonium salts, Synthetic Route of 70445-33-9, the publication is Physical Chemistry Chemical Physics (2017), 19(41), 28302-28312, database is CAplus and MEDLINE.

In this work we report the preparation of mixtures of several alkyl glyceryl ethers, as hydrogen bond donor compounds, with two ammonium salts, choline chloride and N,N,N-triethyl-2,3-dihydroxypropan-1-aminium chloride. The stability of the mixtures at different molar ratios and temperatures has been evaluated in order to determine the formation of low melting mixtures Liquid and stable mixtures have been characterized and their physico-chem. properties such as d., viscosity, refractive index, conductivity and surface tension have been measured in the temperature range of 293.15 K to 343.15 K. Comparison of the mixtures prepared herein with the ones containing glycerol and choline chloride evidences the possibility of tuning the physico-chem. properties by changing the substitution pattern in the hydrogen bond donor compound or in the ammonium salt, thus broadening the scope of application of these mixtures

Physical Chemistry Chemical Physics 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, Synthetic Route of 70445-33-9.

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