Month: December 2022

Saraeian, Alireza published the artcileCatalyst Property Effects on Product Distribution during the Hydrodeoxygenation of Lignin Pyrolysis Vapors over MoO₃/γ-Al₂O₃, Name: 4-Propylphenol, the publication is ACS Sustainable Chemistry & Engineering (2021), 9(19), 6685-6696, database is CAplus.

Hydrodeoxygenation (HDO) of three model compounds (i.e., anisole, 4-propylphenol, and 2-butanone) and real lignin pyrolysis vapors was investigated at 673 K and ~1.7 bar of H₂ over a series of MoO₃/γ-Al₂O₃ catalysts with MoO₃ loadings ranging from 0 to 19 wt % as well as bulk MoO₃. Extensive characterization revealed catalyst acidity (strength) and the degree of MoO_x oligomerization as the two main parameters in determining product distribution. Strong Lewis acid sites of γ-Al₂O₃ were found to catalyze transalkylation, dealkylation, dehydration, and condensation reactions, the latter of which also led to high coke yields (up to 50 C%). The addition of MoO₃ progressively reduced the amount of strong Lewis acid sites and generated weaker Lewis and Bronsted acid sites with lower selectivity to condensation reactions resulting in lower coke yields. The growth of MoO_x domains depended on MoO₃ loading over the γ-Al₂O₃ support. At MoO₃ loadings higher than 8 wt %, crystalline orthorhombic MoO₃ phases were found, which behaved similar to bulk MoO₃ in catalyzing hydrogenation and HDO reactions. The integration of MoO_x species and acidity from the γ-Al₂O₃ support enabled the modulation of product selectivity. This work provides information for enabling the rational design of supported MoO₃ catalysts to allow for maximizing the production of valuable chems. (i.e., alkenes and aromatics) from HDO of lignin (or biomass) pyrolysis vapors.

ACS Sustainable Chemistry & Engineering 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 C9H12O, Name: 4-Propylphenol.

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

Mahapatra, Mausumi published the artcileFormation of Induced-Fit Chiral Templates by Amino Acid-Functionalized Pd(111) Surfaces, SDS of cas: 57044-25-4, the publication is Journal of Physical Chemistry C (2015), 119(7), 3556-3563, database is CAplus.

Chiral probe mols., propylene oxide, and glycidol are used to measure the enantioselectivity of a range of amino acid-functionalized Pd(111) surfaces. Only those surfaces that contain tetrameric amino acid assemblies are found to be enantioselective, indicating that they act as chiral templates in which several modifiers operate in concert to form a chiral reaction pocket. It has previously been shown that the tetramers assemble from antiparallel anionic-zwitterionic dimers where three of the amino acids then undergo a concerted translational motion to form a more stable tetramer. However, d. functional theory calculations reveal that the most stable tetramer has a pocket that is too small to accommodate the chiral probes, while the more open antiparallel anionic-zwitterionic dimer structure provides sufficient space for the epoxide to adsorb enantioselectively on the most stable atop palladium adsorption site. Amino acid destabilization is confirmed by its lower desorption temperature measured in temperature-programmed desorption.

Journal of Physical Chemistry C 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, SDS of cas: 57044-25-4.

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

Jirasek, Fabian published the artcileSolid-liquid equilibrium in the system 2-keto-L-gulonic acid + sodium-2-keto-L-gulonate + water, Application of (3S,4R,5S)-3,4,5,6-Tetrahydroxy-2-oxohexanoic acid, the publication is Fluid Phase Equilibria (2018), 318-322, database is CAplus.

The solid-liquid equilibrium (SLE) in the ternary system 2-keto-L-gulonic acid (HKGA) + sodium-2-keto-L-gulonate (NaKGA) + water was studied exptl. at temperatures between 275 and 313 K and ambient pressure. At these conditions, HKGA and NaKGA precipitate as monohydrates: HKGA·H₂O and NaKGA·H₂O, resp. Phase diagrams with one eutonic point are found for all temperatures A thermodn. model of the SLE that is based on an extended version of the Debye-Huckel theory was developed and the dissociation constant of HKGA as well as the solubility products of HKGA·H₂O and NaKGA·H₂O were determined The agreement between the exptl. data and the results from the model is excellent.

Fluid Phase Equilibria published new progress about 526-98-7. 526-98-7 belongs to alcohols-buliding-blocks, auxiliary class Sugar Units,Other Sugar Units, name is (3S,4R,5S)-3,4,5,6-Tetrahydroxy-2-oxohexanoic acid, and the molecular formula is C6H10O7, Application of (3S,4R,5S)-3,4,5,6-Tetrahydroxy-2-oxohexanoic acid.

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

Jia, Yong published the artcileAn aldo-keto reductase with 2-keto-L-gulonate reductase activity functions in L-tartaric acid biosynthesis from vitamin C in Vitis vinifera, Formula: C6H10O7, the publication is Journal of Biological Chemistry (2019), 294(44), 15932-15946, database is CAplus and MEDLINE.

Tartaric acid has high economic value as an antioxidant and flavorant in food and wine industries. L-Tartaric acid biosynthesis in wine grape (Vitis vinifera) uses ascorbic acid (vitamin C) as precursor, representing an unusual metabolic fate for ascorbic acid degradation Reduction of the ascorbate breakdown product 2-keto-L-gulonic acid to L-idonic acid constitutes a critical step in this L-tartaric acid biosynthetic pathway. However, the underlying enzymic mechanisms remain obscure. Here, we identified a V. vinifera aldo-keto reductase, Vv2KGR, with 2-keto-L-gulonic acid reductase activity. Vv2KGR belongs to the D-isomer-specific 2-hydroxyacid dehydrogenase superfamily and displayed the highest similarity to the hydroxyl pyruvate reductase isoform 2 in Arabidopsis thaliana. Enzymic analyses revealed that Vv2KGR efficiently reduces 2-keto-L-gulonic acid to L-idonic acid and uses NADPH as preferred coenzyme. Moreover, Vv2KGR exhibited broad substrate specificity toward glyoxylate, pyruvate, and hydroxypyruvate, having the highest catalytic efficiency for glyoxylate. We further determined the X-ray crystal structure of Vv2KGR at 1.58 Å resolution Comparison of the Vv2KGR structure with those of D-isomer-specific 2-hydroxyacid dehydrogenases from animals and microorganisms revealed several unique structural features of this plant hydroxyl pyruvate reductase. Substrate structural anal. indicated that Vv2KGR uses two modes (A and B) to bind different substrates. 2-Keto-L-gulonic acid displayed the lowest predicted free-energy binding to Vv2KGR among all docked substrates. Hence, we propose that Vv2KGR functions in L-tartaric acid biosynthesis. To the best of our knowledge, this is the first report of a D-isomer-specific 2-hydroxyacid dehydrogenase that reduces 2-keto-L-gulonic acid to L-idonic acid in plants.

Journal of Biological Chemistry published new progress about 526-98-7. 526-98-7 belongs to alcohols-buliding-blocks, auxiliary class Sugar Units,Other Sugar Units, name is (3S,4R,5S)-3,4,5,6-Tetrahydroxy-2-oxohexanoic acid, and the molecular formula is C6H10O7, Formula: C6H10O7.

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

Vichapong, Jitlada published the artcileAlternative spectrophotometric method for determination of bilirubin and urobilinogen in urine samples using simultaneous injection effective mixing flow analysis, Quality Control of 85618-21-9, the publication is Analytical Methods (2013), 5(9), 2419-2426, database is CAplus.

A new approach based on simultaneous injection effective mixing flow anal. (SIEMA) system was developed for the successive spectrophotometric determination of urobilinogen and bilirubin in urinary samples. A 4-channel SIEMA system consisted of a syringe pump, two 5-cross connectors, four holding coils (two of four were used for urobilinogen determination, and other two of four were used for bilirubin determination), five solenoid valves, a mixing coil and a spectrophotometer. For urobilinogen assay, the color development was based on the reaction with p-diethylaminobenzaldehyde (p-DEABA) in the presence of strong hydrochloric acid. On the other hand, bilirubin was measured by the reaction with diazotized sulfanilic acid in the presence of n-octyl-β-d-thioglucoside (OTG) which served as a solubilizing agent to form OTG-azobilirubin. Firstly for bilirubin determination, aliquots of sample and reagent solutions were aspirated into two individual holding coils by a syringe pump, and then the aspirated zones were simultaneously dispensed in the reverse direction to the detector flow cell. Secondary for urobilinogen determination, aliquots of sample and reagent for urobilinogen were aspirated into other two holding coils, followed by the similar spectrophotometric detection. Under optimal conditions, the automated method provided linearity up to 100.0 mg L^-1 for urobilinogen and 5.0 mg L^-1 for bilirubin. The 3σ limit of detections (LODs) for urobilinogen and bilirubin were 1.0 mg L^-1 and 0.003 mg L^-1, resp. The relative standard deviations (RSDs, n = 11) of 30 mg L^-1 urobilinogen and 1.0 mg L^-1 for bilirubin were 1.5% and 1.0%, resp. Sample throughput of the whole assay of both urobilinogen and bilirubin was 30 h^-1. The proposed method can be applied to trace urobilinogen and bilirubin in urine samples and the results are useful for screening diabetic diagnostic.

Analytical Methods 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 C6H10O7, Quality Control of 85618-21-9.

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

Warshaw, Erin M. published the artcilePatch Testing to Ethylhexylglycerin: The North American Contact Dermatitis Group Experience, 2013-2018, COA of Formula: C11H24O3, the publication is Dermatitis (2022), 33(1), 36-41, database is CAplus and MEDLINE.

Ethylhexylglycerin (EHG) is a recently recognized contact allergen. The aims of the study were to characterize individuals with pos. patch test reactions to EHG and to analyze reaction strength, clin. relevance, and allergen sources. This study was a retrospective anal. of the patients patch tested to EHG (5petrolatum) by the North American Contact Dermatitis Group (2013-2018). Of 15,560 patients tested to EHG, 39 (0.25) had pos. (final interpretation of “allergic”) reactions. Most were female (71.8) and/or older than 40 years (76.9). There were no statistically significant differences between age, sex, or atopic history when compared with EHG-neg. patients. The most common anat. sites of dermatitis were the face (28.2) and scattered generalized distribution (25.6). Most EHG-pos. reactions were + (35.9) or ++ (33.3). Current clin. relevance was high (79.5); none, however, were related to occupation. Personal care products were the most common source of exposure to EHG (59.0). Ethylhexylglycerin is a rare contact allergen; the pos. frequency of 0.25is similar to other low allergenic preservatives including parabens, benzyl alc., and phenoxyethanol. The patch test concentration of 5.0seems to be nonirritating. Although relatively uncommon, EHG reactions were usually clin. relevant (79.5), often because of moisturizers/lotions/creams.

Dermatitis 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 C17H20ClN3, COA of Formula: C11H24O3.

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

Sereikaite, Jolanta published the artcileCongo red interaction with α-proteins, Quality Control of 70539-42-3, the publication is Acta Biochimica Polonica (2006), 53(1), 87-91, database is CAplus.

The ability of Congo red to form complexes with α-proteins, human growth hormone and human interferon-α2b, was found by absorption difference spectroscopy. A human growth hormone-Congo red complex was isolated by gel-permeation chromatog., and its visible absorption spectrum was registered in comparison to free dye. The ability of Congo red to induce dimerization of human growth hormone was demonstrated using chem. crosslinking agents 1,3,5-triacryloyl-hexahydro-s-triazine and ethylene glycol bis(succinimidylsuccinate).

Acta Biochimica Polonica 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 C11H10O, Quality Control of 70539-42-3.

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

Sereikaite, Jolanta published the artcileCongo red interaction with alpha-proteins., HPLC of Formula: 70539-42-3, the publication is Acta biochimica Polonica (2006), 53(1), 87-92, database is MEDLINE.

The ability of Congo red to form complexes with alpha-proteins, human growth hormone and human interferon-alpha2b, was found by absorption difference spectroscopy. A human growth hormone-Congo red complex was isolated by gel-permeation chromatography, and its visible absorption spectrum was registered in comparison to free dye. The ability of Congo red to induce dimerization of human growth hormone was demonstrated using chemical cross-linking agents 1,3,5-triacryloyl-hexahydro-s-triazine and ethylene glycol bis(succinimidylsuccinate).

Acta biochimica Polonica 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 C18H26ClN3O, HPLC of Formula: 70539-42-3.

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

Loska, Rafal published the artcileA three-component synthesis of aryl(heteroaryl)acylamides, Safety of 4,4-Diethoxybutan-1-amine, the publication is Organic & Biomolecular Chemistry (2015), 13(38), 9872-9882, database is CAplus and MEDLINE.

A three-component reaction of azole or azine N-oxides, 1,1-difluorostyrenes and amines gives amides of α-aryl-α-heteroarylacetic or propionic acids. The key step is 1,3-dipolar cycloaddition between N-oxide and difluorostyrene leading to the acyl fluoride intermediate, which has been identified and characterized by NMR spectroscopy. The whole process is an example of selective functionalization of C-H bonds in both 5- and 6-membered heterocyclic systems.

Organic & Biomolecular 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, Safety of 4,4-Diethoxybutan-1-amine.

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

King, Sandra M. published the artcileDevelopment of a method for the N-arylation of amino acid esters with aryl triflates, Application of 4-(1H-Pyrrol-1-yl)phenol, the publication is Organic Letters (2016), 18(16), 4128-4131, database is CAplus and MEDLINE.

A general method for the N-arylation of amino acid esters with aryl triflates is described. Both α- and β-amino acid esters, including Me, tert-Bu, and benzyl esters, are viable substrates. Reaction optimization was carried out by design of experiment (DOE) anal. using JMP software. The mild reaction conditions, which use t-BuBrettPhos Pd G3 or G4 precatalyst, result in minimal racemization of the amino acid ester. This method is the first synthetic application of the t-BuBrettPhos Pd G4 precatalyst. Mechanistic studies show that the observed erosion in enantiomeric excess is due to racemization of the amino acid ester starting material and not of the product.

Organic 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 C10H9NO, Application of 4-(1H-Pyrrol-1-yl)phenol.

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