Author: tianli

Shumeiko, Bogdan published the artcileSemi-Batch Hydrotreatment of Lignin-Derived Phenolic Compounds over Raney-Ni with a Continuous Regeneration of the H-Donor Solvent, HPLC of Formula: 645-56-7, the publication is ChemSusChem (2022), 15(1), e202102099, database is CAplus and MEDLINE.

Lignin can be converted into useful precursors of fuels and fine chems. by thermochem. conversion followed by catalytic hydrogenation using metal catalysts at severe reaction conditions. Thus, mild hydrogenation would significantly improve the sustainability of lignin valorization. Here, hydrogenation of phenols, alkylphenols, and methoxyphenols was achieved at mild reaction conditions (70° and atm. pressure) via H-transfer hydrogenation over Raney-Ni catalyst in iso-PrOH and 2-butanol solvents. The transfer hydrogenation was feasible at the mild conditions, but the complexity of the reactant greatly decreased or even completely suppressed its reactivity. The position of the functional group (o-, m-, p-position) had a great effect on the reactivity of phenols. Also, 2-butanol enhanced the conversion of phenols in comparison with iso-PrOH. When comparing classic hydrogenation with H-transfer hydrogenation in presence of external H₂, external H₂ not only regenerated H-donor solvent and ensured stable performance but also increased conversion of phenols and alkylphenols. However, the absence of external H₂ boosted the conversion of methoxy phenols. Finally, phenols extracted from a pyrolysis oil aqueous phase were hydrogenated. The conversion of phenols was greatly affected by competitive adsorption of different compounds present in the reaction mixture External H₂ promoted hydrogenation of the complex reaction mixture and prevented condensation of the reactive species in contrast to the H-transfer hydrogenation.

ChemSusChem published new progress about 645-56-7. 645-56-7 belongs to alcohols-buliding-blocks, auxiliary class Liquid Crystal &OLED Materials, name is 4-Propylphenol, and the molecular formula is C9H5F3O, HPLC of Formula: 645-56-7.

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

Iglesias-Carres, Lisard published the artcilePotential of Phenolic Compounds and Their Gut Microbiota-Derived Metabolites to Reduce TMA Formation: Application of an In Vitro Fermentation High-Throughput Screening Model, HPLC of Formula: 621-37-4, the publication is Journal of Agricultural and Food Chemistry (2022), 70(10), 3207-3218, database is CAplus and MEDLINE.

Trimethylamine N-oxide (TMAO) is a pro-atherosclerotic product of dietary choline metabolism generated by a microbiome-host axis. The first step in this pathway is the enzymic metabolism of choline to trimethylamine (TMA) by the gut microbiota. This reaction could be targeted to reduce atherosclerosis risk. We aimed to evaluate potential inhibitory effects of select dietary phenolics and their relevant gut microbial metabolites on TMA production via a human ex vivo-in vitro fermentation model. Various phenolics inhibited choline use and TMA production The most bioactive compounds tested (caffeic acid, catechin, and epicatechin) reduced TMA-d₉ formation (compared to control) by 57.5 ± 1.3 to 72.5 ± 0.4% at 8 h and preserved remaining choline-d₉ concentrations by 194.1 ± 6.4 to 256.1 ± 6.3% at 8 h. These inhibitory effects were achieved without altering cell respiration or cell growth. However, inhibitory effects decreased at late fermentation times, which suggested that these compounds delay choline metabolism rather than completely inhibiting TMA formation. Overall, caffeic acid, catechin, and epicatechin were the most effective noncytotoxic inhibitors of choline use and TMA production Thus, these compounds are proposed as lead bioactives to test in vivo.

Journal of Agricultural and Food Chemistry 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 C8H8O3, HPLC of Formula: 621-37-4.

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

Blute, Irena published the artcilePhase behavior of alkyl glycerol ether surfactants, Category: alcohols-buliding-blocks, the publication is Tenside, Surfactants, Detergents (1998), 35(3), 207-212, database is CAplus.

The phase behavior and phys. properties of a series of alkyl (C₆, C₈, C₁₂ and iso-C₈) monoglycerol ethers and 2-hydroxyalkyl (C₆, C₈, C₁₂) monoglycerol ethers are presented. The binary phase diagram for the surfactants shows very little dependence on temperature It can be seen that as the alkyl chain length increases the tendency to form lamellar liquid crystalline phases increases. The branched alkyl chain shows no formation of lamellar phases even at high concentrations of surfactant. The difference in phase behavior between the surfactants is attributed to the variation in the critical packing parameter of the surfactants. The presence of an addnl. hydroxyl group in the alkyl chain causes temperature-independent solubility behavior. Ternary phase diagrams were prepared using dodecane as the oil phase. Hexyl glycerol ether was the only one of the alkyl glycerol ethers that was sufficiently water-soluble to determine the surface tension and CMC. The CMC was 15 mM and surface tension was 26 mN m^-1.

Tenside, Surfactants, Detergents 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, Category: alcohols-buliding-blocks.

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

Jeppesen, Troels E. published the artcileOxime Coupling of Active Site Inhibited Factor Seven with a Nonvolatile, Water-Soluble Fluorine-18 Labeled Aldehyde, Category: alcohols-buliding-blocks, the publication is Bioconjugate Chemistry (2019), 30(3), 775-784, database is CAplus and MEDLINE.

A nonvolatile fluorine-18 aldehyde prosthetic group was developed from [¹⁸F]SFB, and used for site-specific labeling of active site inhibited factor VII (FVIIai). FVIIai has a high affinity for tissue factor (TF), a transmembrane protein involved in angiogenesis, proliferation, cell migration, and survival of cancer cells. A hydroxylamine N-glycan modified FVIIai (FVIIai-ONH₂) was used for oxime coupling with the aldehyde [¹⁸F]2 under mild and optimized conditions in an isolated RCY of 4.7 ± 0.9%, and a synthesis time of 267 ± 5 min (from EOB). Retained binding and specificity of the resulting [¹⁸F]FVIIai to TF was shown in vitro. TF-expression imaging capability was evaluated by in vivo PET/CT imaging in a pancreatic human xenograft cancer mouse model. The conjugate showed exceptional stability in plasma (>95% at 4 h) and a binding fraction of 90%. In vivo PET/CT imaging showed a mean tumor uptake of 3.8 ± 0.2% ID/g at 4 h post-injection, a comparable uptake in liver and kidneys, and low uptake in normal tissues. In conclusion, FVIIai was labeled with fluorine-18 at the N-glycan chain without affecting TF binding. In vitro specificity and a good in vivo imaging contrast at 4 h postinjection was demonstrated.

Bioconjugate Chemistry published new progress about 6346-09-4. 6346-09-4 belongs to alcohols-buliding-blocks, auxiliary class Amine,Aliphatic hydrocarbon chain,Ether, name is 4,4-Diethoxybutan-1-amine, and the molecular formula is C8H19NO2, Category: alcohols-buliding-blocks.

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

Kamal, Ahmed published the artcileLipase-catalyzed resolution of 1-chloro-3-[(4-morpholin-4-yl-1,2,5-thiadiazole-3-yl)oxy]propan-2-ol, COA of Formula: C6H9N3O2S, the publication is Journal of Molecular Catalysis B: Enzymatic (2008), 54(1-2), 55-59, database is CAplus.

Lipase-catalyzed resolution of 1-chloro-3-[(4-morpholin-4-yl-1,2,5-thiadiazole-3-yl)oxy]propan-2-ol (5) is described using vinyl acetate as acyl donor. The effect of different lipases from various sources in several solvents has been studied. This intermediate 5 is utilized in the preparation of enantiomerically enriched (R) and (S)-timolol.

Journal of Molecular Catalysis B: Enzymatic published new progress about 30165-97-0. 30165-97-0 belongs to alcohols-buliding-blocks, auxiliary class Morpholine,Thiadiazole,Alcohol, name is 4-Morpholino-1,2,5-thiadiazol-3-ol, and the molecular formula is C6H9N3O2S, COA of Formula: C6H9N3O2S.

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

Scott, W. E. published the artcileVernonia anthelmintica. Effect of storage on the epoxy content of the seed oil and trivernolin, Recommanded Product: 2,5-Bis(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol, the publication is Journal of the American Oil Chemists’ Society (1965), 42(2), 147-9, database is CAplus.

V. anthelmintica seeds from India and Pakistan varied somewhat in the amount of oil that they contained, but the oils did not vary significantly in their epoxy content. Storage of the whole seed for periods of up to 3 years did not affect the quality of the oil, but the activity of the seed enzyme system seemed to increase with time. Free fatty acid (I) develops rapidly after the seed is ground. The epoxy content of low-I V. anthelmintica oil and trivernolin changed only slightly when these products were stored at room temperature for 6 months. The viscosity of the samples that were exposed to light increased greatly, indicating changes in the phys. nature of the products. A similar behavior was exhibited by both products when they were stored under N at 100° and by trivernolin at 4°.

Journal of the American Oil Chemists’ Society published new progress about 903-19-5. 903-19-5 belongs to alcohols-buliding-blocks, auxiliary class Benzene,Phenol, name is 2,5-Bis(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol, and the molecular formula is C6H4ClNO2, Recommanded Product: 2,5-Bis(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol.

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

Hurd, Charles D. published the artcileThienol, Quality Control of 17236-59-8, the publication is Journal of the American Chemical Society (1950), 5543-6, database is CAplus.

Thiophene-2-ol (I) was obtained by oxidizing 2-thienylmagnesium bromide (16.3 g. 2-bromothiophene, 18.5 g. iso-PrBr, and 6.5 g. Mg in 200 cc. ether) with dry O at 0°, hydrolyzing the product with dilute H₂SO₄, saturating with NaCl, and extracting the aqueous solution and the ether solution with 20% NaOH; 25% I, light yellow liquid, b₆ 80-84°, and 29% 2,2′-bithiophene, were obtained. I was vacuum-distilled in N; the colorless center fraction on cooling formed long needles, m. 7-9°, b₇₆₀ 217-19° (in N), d²⁰₄ 1.255, n²⁰_D 1.5644, mol. refraction 25.93, soluble in hexane 42%, in H₂O 6%, miscible in all other common solvents. Also prepared were the acetate, solidified at -10° to -20°; benzoate, fine colorless crystals, m. 44-5°; Me 2-thienyl ether, 5-phenylazothienolophene-2-ol, m. 120-25°, and 2(or 4)-benzylidene-3(or 2)-butenothiolactone, m. 97.5-8.5°. The infrared and ultraviolet spectra gave evidence that I exists as keto-enol tautomers. It gives a red color with FeCl₃, is a weak acid, undergoes characteristic reactions of the phenolic OH group, and reacts readily with diazotized amines in alk. solution The presence of the thiolactone was indicated by ring fission occurring in warm acid or alkali or during methylation with MeI or Me₂SO₄, and by the ready condensation with BzH. Under conditions sufficient for quant. monobromination of phenol, I consumed 1/3 equivalent of Br. Oxidation of 3-thienylmagnesium bromide gave a low yield of a steam-volatile liquid, very weakly acidic, having a phenolic odor and giving an intense vermilion with FeCl₃; it apparently coupled with diazotized aniline. It is suggested that this compound was thiophene-3-ol.

Journal of the American Chemical Society published new progress about 17236-59-8. 17236-59-8 belongs to alcohols-buliding-blocks, auxiliary class Thiophene,Alcohol, name is Thiophen-3-ol, and the molecular formula is C4H4OS, Quality Control of 17236-59-8.

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

Gago-Ferrero, Pablo published the artcileSuspect Screening and Regulatory Databases: A Powerful Combination To Identify Emerging Micropollutants, Product Details of C9H21NO3, the publication is Environmental Science & Technology (2018), 52(12), 6881-6894, database is CAplus and MEDLINE.

This study demonstrates that regulatory databases combined with the latest advances in high resolution mass spectrometry (HRMS) can be efficiently used to prioritize and identify new, potentially hazardous pollutants being discharged into the aquatic environment. Of the approx. 23000 chems. registered in the database of the National Swedish Product Register, 160 potential organic micropollutants were prioritized through quant. knowledge of market availability, quantity used, extent of use on the market, and predicted compartment-specific environmental exposure during usage. Advanced liquid chromatog. (LC)-HRMS-based suspect screening strategies were used to search for the selected compounds in 24 h composite samples collected from the effluent of three major wastewater treatment plants (WWTPs) in Sweden. In total, 36 tentative identifications were successfully achieved, mostly for substances not previously considered by environmental scientists. Of these substances, 23 were further confirmed with reference standards, showing the efficiency of combining a systematic prioritization strategy based on a regulatory database and a suspect-screening approach. These findings show that close collaboration between scientists and regulatory authorities is a promising way forward for enhancing identification rates of emerging pollutants and expanding knowledge on the occurrence of potentially hazardous substances in the environment.

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 C9H21NO3, Product Details of C9H21NO3.

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

Ziegler, Felix published the artcileConfinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes, Synthetic Route of 111-29-5, the publication is ACS Catalysis (2021), 11(18), 11570-11578, database is CAplus.

For entropic reasons, the synthesis of macrocycles via olefin ring-closing metathesis (RCM) is impeded by competing acyclic diene metathesis (ADMET) oligomerization. With cationic molybdenum imido alkylidene N-heterocyclic carbene (NHC) complexes confined in tailored ordered mesoporous silica, RCM can be run with macrocyclization selectivities up to 98% and high substrate concentrations up to 0.1 M. Mol. dynamics simulations show that the high conversions are a direct result of the proximity between the surface-bound catalyst, proven by extended X-ray absorption spectroscopy, and the surface-located substrates. Back-diffusion of the macrocycles decreases with decreasing pore diameter of the silica and is responsible for the high macrocyclization efficiency. Also, Z-selectivity increases with decreasing pore diameter and increasing Tolman electronic parameter of the NHC. Running reactions at different concentrations allows for identifying the optimum substrate concentration for each material and substrate combination.

ACS Catalysis 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 C8H17Br, Synthetic Route of 111-29-5.

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

Gonzalez-Gil, Lorena published the artcileBiotransformation of organic micropollutants by anaerobic sludge enzymes, Quality Control of 85618-21-9, the publication is Water Research (2019), 202-214, database is CAplus and MEDLINE.

Biotransformation of organic micropollutants (OMPs) in wastewater treatment plants ultimately depends on the enzymic activities developed in each biol. process. However, few research efforts have been made to clarify and identify the role of enzymes on the removal of OMPs, which is an essential knowledge to determine the biotransformation potential of treatment technologies. Therefore, the purpose of the present study was to investigate the enzymic transformation of 35 OMPs under anaerobic conditions, which have been even less studied than aerobic systems. Initially, 13 OMPs were identified to be significantly biotransformed (>20%) by anaerobic sludge obtained from a full-scale anaerobic digester, predestining them as potential targets of anaerobic enzymes. Native enzymes were extracted from this anaerobic sludge to perform transformation assays with the OMPs. In addition, the effect of detergents to recover membrane enzymes, as well as the effects of cofactors and inhibitors to promote and suppress specific enzymic activities were evaluated. In total, it was possible to recover enzymic activities towards 10 out of these 13 target OMPs (acetyl-sulfamethoxazole and its transformation product sulfamethoxazole, acetaminophen, atenolol, clarithromycin, citalopram, climbazole, erythromycin, and terbutryn, venlafaxine) as well as towards 8 non-target OMPs (diclofenac, iopamidol, acyclovir, acesulfame, and 4 different hydroxylated metabolites of carbamazepine). Some enzymic activities likely involved in the anaerobic biotransformation of these OMPs were identified. Thereby, this study is a starting point to unravel the still enigmatic biotransformation of OMPs in wastewater treatment systems.

Water Research published new progress about 85618-21-9. 85618-21-9 belongs to alcohols-buliding-blocks, auxiliary class Tetrahydropyran,Chiral,sulfides,Alcohol, name is (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(octylthio)tetrahydro-2H-pyran-3,4,5-triol, and the molecular formula is C14H28O5S, Quality Control of 85618-21-9.

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