Tag: M.W=300-350

Abdulradha, Shaima K. published the artcileStudy of the Interaction Between Reduced Graphene Oxide and NO₂ Gas Molecules via Density Functional Theory (DFT), COA of Formula: C24H12, the publication is International Journal of Nanoscience (2022), 21(2), 2250009, database is CAplus.

Electronic properties such as d. of state, energy gap, HOMO (the HOMO) level, LUMO (the LUMO) level and d. of bonds, as well as spectroscopic properties like IR (IR), Raman scattering, force constant, and reduced masses for coronene C₂₄, reduced graphene oxide (rGO) C₂₄O₅ and interaction between C₂₄O₅ and NO₂ gas mols. were investigated. D. functional theory (DFT) with the exchange hybrid function B3LYP with 6-311G** basis sets through the Gaussian 09W software program was used to do these calculations Gaussian view 05 was employed as a supplementary software to investigate the geometrical structure of C₂₄, C₂₄O₅ and the interaction of C₂₄O₅ with NO₂ gas mol. It shows the energy gap of coronene C₂₄ 3.5eV because the effect of quantum confinement and the Coulomb interaction geometry greatly influence the quasi-particle band gap and C₂₄O_x where x = 1-7 was from 0.89eV to 1.6862eV a function of number of oxygen atoms and compared with the experiment value of graphene oxide which was between 1eV and 2.2eV. The spectroscopic properties were compared with the experiment value of graphene, graphene oxide and NO₂ longitudinal optical (LO) modes of 1585, 1582 and 1600cm^-1, resp. The transition state of the interaction of rGO with nitrogen dioxide and Gibbs energy, enthalpy, activation entropy and reaction at various temperatures between 25¡ã C and 100¡ã C were calculated The activation energy of C₂₄O₅ with nitrogen dioxide decreases with increasing temperature

International Journal of Nanoscience published new progress about 191-07-1. 191-07-1 belongs to catalysis-chemistry, auxiliary class Electronic Materials, name is Coronene, and the molecular formula is C24H12, COA of Formula: C24H12.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Xu, Weiqiang published the artcileThe crystal structures of ten supramolecular salts of benzylamine and organic acids, Safety of 2,2′-Dithiodibenzoic acid, the publication is Journal of Molecular Structure (2020), 128554, database is CAplus.

This article studies the benzylamine based supramol. adducts in ten crystalline solids, where the acids have been integrated. Addition of the benzylamine to the solution of organic acid makes the corresponding supramol. assemblies. All the compounds crystallize as their organic salts with the acidic H moved to the NH₂ of the benzylamine and they have been featured via IR, mp, EA and XRD in detail. The key driving force is attributed to the classical H-bonds from benzylamine and the acids. The other extensive non-covalent interactions also play great functions in space association with the mol. counter partners in relevant crystals. The homo, hetero supramol. synthons or both were built at these salts, and the characteristic R²₄(8), R³₄(10) and R⁴₄(12) graph sets have been frequently established in the salts due to the H-bonds and non-covalent associations For the synergistic effects of the classical H-bonds and the various non-covalent bonds, these salts adopted 1D/2D/3D arrangements.

Journal of Molecular Structure published new progress about 119-80-2. 119-80-2 belongs to catalysis-chemistry, auxiliary class sulfides,Carboxylic acid,Benzene, name is 2,2′-Dithiodibenzoic acid, and the molecular formula is C5H8N2O, Safety of 2,2′-Dithiodibenzoic acid.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Wen, Yixian published the artcileExposure to two-dimensional ultrathin Ti3C2 (MXene) nanosheets during early pregnancy impairs neurodevelopment of offspring in mice, Quality Control of 6217-54-5, the publication is Journal of Nanobiotechnology (2022), 20(1), 108, database is CAplus and MEDLINE.

Two-dimensional ultrathin Ti3C2 (MXene) nanosheets have been extensively explored for various biomedical applications. However, safety issues and the effects of Ti3C2 on human health remain poorly understood. To explore the influence on fetal or offspring after exposure to Ti3C2 nanosheets, we established a mouse model exposed to different doses of Ti3C2 nanosheets during early pregnancy in this study. We found that Ti3C2 nanosheets had negligible effect on the reproductive ability of maternal mice, including average pregnancy days, number of new-borns, and neonatal weight, etc. Unexpectedly, abnormal neurobehavior and pathol. changes in the cerebral hippocampus and cortex in adult offspring were observed following Ti3C2 nanosheet treatment. In further studies, it was found that Ti3C2 exposure led to developmental and functional defects in the placenta, including reduced area of labyrinth, disordered secretion of placental hormones, and metabolic function derailment. The long-chain unsaturated fatty acids were significantly higher in the placenta after Ti3C2 exposure, especially docosahexaenoic acid (DHA) and linoleic acid. The metabolic pathway anal. showed that biosynthesis of unsaturated fatty acids was upregulated while linoleic acid metabolism was downregulated. These developmental and functional defects, particularly metabolic function derailment in placenta may be the cause for the neuropathol. in the offspring. This is the first report about the effects of Ti3C2 nanosheet exposure on pregnancy and offspring. The data provides a better understanding of Ti3C2 nanosheets safety. It is suggested that future studies should pay more attention to the long-term effects of nanomaterials exposure, including the health of offspring in adulthood, rather than only focus on short-term effects, such as pregnancy outcomes. Metabolomics could provide clues for finding the prevention targets of the biol. neg. effect of Ti3C2 nanosheets.

Journal of Nanobiotechnology published new progress about 6217-54-5. 6217-54-5 belongs to catalysis-chemistry, auxiliary class Alkenyl,Carboxylic acid,Aliphatic hydrocarbon chain,Metabolic Enzyme,RAR/RXR,Natural product, name is Docosahexaenoic Acid, and the molecular formula is C21H37BO, Quality Control of 6217-54-5.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Wang, Shanyu published the artcileChanges in lipid profiles and volatile compounds of shrimp (Penaeus vannamei) submitted to different cooking methods, Synthetic Route of 6217-54-5, the publication is International Journal of Food Science and Technology (2022), 57(7), 4234-4244, database is CAplus.

Herein, the effect of three common cooking methods (boiling, baking and microwaving) on lipids and volatile compounds in shrimp (Penaeus vannamei) was assessed. The results revealed that contents of phospholipid, triglyceride, cholesterol and free fatty acids in the cooked shrimp significantly declined when compared to the raw shrimp. And these decreases occurred especially in the boiling and microwaving treatment. Among free fatty acids, the contents of palmitic acid (C16:0), oleic acid (C18:1n9c) and linoleic acid (C18:2n6c) also decreased greatly in the boiled and microwaved shrimp, while EPA and DHA enhanced in each cooked group (P < 0.05). Furthermore, microwaved samples exhibited higher levels of oxidation parameters, such as acid value (AV) and thiobarbituric acid-reactive substances (TBARS). For volatile compounds, a total of 31 volatile compounds were detected by GC-IMS, and these contents increased after cooking. Aliphatic volatile compounds, including 1-octen-3-one, pentane-1-ol, 1-propanol, octanal, heptanal, pentanal and hexanal, were main flavor contributors in cooked shrimp, with higher contents observed in microwaved shrimp. In addition, the correlation anal. showed that linoleic acid was a substrate for 15 volatile compounds of cooked shrimp meat. These results indicate that microwave cooking exerts more influences on lipid profiles in shrimp and consequently caused more volatile compounds

International Journal of Food Science and Technology published new progress about 6217-54-5. 6217-54-5 belongs to catalysis-chemistry, auxiliary class Alkenyl,Carboxylic acid,Aliphatic hydrocarbon chain,Metabolic Enzyme,RAR/RXR,Natural product, name is Docosahexaenoic Acid, and the molecular formula is C6H8O6, Synthetic Route of 6217-54-5.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Xu, Nan published the artcileChemical characteristics and sources of organic aerosols across the Taiwan Strait, Formula: C24H12, the publication is Atmospheric Pollution Research (2022), 13(2), 101312, database is CAplus.

Although increasing attention is drawn to particulate air pollution across the Taiwan Strait, few studies have focused on the organic component, which comprises a large portion in ambient aerosols. Synchronous observations were conducted at seven sites in Taiwan and Fujian to explore the chem. properties and source contributions of organic aerosols across the Taiwan Strait. In total, 134 organic matters were quantified by gas chromatog.-mass spectrometry. Compared to other areas in China, the proportions of n-alkanes and PAHs in the quantified organic constituent were relatively lower across the Taiwan Strait, with alkanoic acids and dicarboxylic acids higher, indicating less primary source contribution and more secondary formation influence. The chem. mass balance (CMB) model showed that cooking and vehicle emissions were the richest primary sources of organic carbon (OC) across the Taiwan Strait, accounting for 21% and 15% on average, followed by biomass burning and vegetative detritus. Coal burning had little influence in early summer across the Taiwan Strait. The percentages of diesel vehicle contributions were higher at sites in Taiwan than in Fujian, which was also verified by a higher elemental carbon (EC) to OC ratio. The contribution of biomass burning increased significantly when large amounts of fire points observed across the Taiwan Strait. This work highlights the chem. characteristics of organic aerosols and the interaction of particulate air pollution across the Taiwan Strait in a typical monsoon transition case. Sources of OC and potential origin areas of PM2.5 were also investigated to support cross-strait pollution control policies.

Atmospheric Pollution Research published new progress about 191-07-1. 191-07-1 belongs to catalysis-chemistry, auxiliary class Electronic Materials, name is Coronene, and the molecular formula is C3H8N2S, Formula: C24H12.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Hamacher, K. published the artcileElectrochemical cell for separation of [¹⁸F]fluoride from irradiated ¹⁸O-water and subsequent no carrier added nucleophilic fluorination, Category: catalysis-chemistry, the publication is Applied Radiation and Isotopes (2002), 56(3), 519-523, database is CAplus and MEDLINE.

An electrochem. cell was designed allowing the anodic deposition of n.c.a. [¹⁸F]fluoride solubilized in an ¹⁸O-water target and subsequent n.c.a. nucleophilic ¹⁸F-fluorination. The recovery of the deposited [¹⁸F]fluoride can be achieved in the presence of an aprotic solvent containing a phase-transfer catalyst (PTC). The radioisotope adsorbed electrochem. at the cylindrical surface of a glassy carbon electrode can be dried easily by washing the cell twice with dry aprotic solvents while maintaining a low elec. field. This simple washing step makes an azeotropic drying process obsolete. Accordingly, less basic cryptates like [K?2.2.2.]oxalate or triflate can be used for nucleophilic ¹⁸F-fluorination because loss of activity as a consequence of azeotropic drying under conditions of low basicity does not occur. The usefulness of this technique is exemplified for the n.c.a. synthesis of various ¹⁸F-labeled compounds The radiotracers were synthesized with higher radiochem. yields and under much easier conditions than the conventional ¹⁸F-fluorination procedure which includes an addnl. drying step of the PTC.

Applied Radiation and Isotopes published new progress about 17351-62-1. 17351-62-1 belongs to catalysis-chemistry, auxiliary class Salt,Amine, name is Tetrabutylammonium hydrogencarbonate, and the molecular formula is C17H37NO3, Category: catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Ihantola, Tuukka published the artcileGenotoxic and inflammatory effects of spruce and brown coal briquettes combustion aerosols on lung cells at the air-liquid interface, Safety of Coronene, the publication is Science of the Total Environment (2022), 806(Part_1), 150489, database is CAplus and MEDLINE.

Solid fuel usage in residential heating and cooking is one of the largest sources of ambient and indoor air particulate matter, which causes adverse effects on the health of millions of peoples worldwide. Emissions from solid fuel combustion, such as biomass or coal, are detrimental to health, but toxicol. responses are largely unknown. In the present study, we compared the toxicol. responses regarding cytotoxicity, inflammation and genotoxicity of spruce (SPR) and brown coal briquette (BCB) combustion aerosols on human alveolar epithelial cells (A549) as well as a coculture of A549 and differentiated human monocytic cells (THP-1) into macrophages exposed at the air-liquid interface (ALI). We included both the high emissions from the first hour and moderate emissions from the third hour of the batch combustion experiment in one ALI system, whereas, in the second ALI system, we exposed the cells during the whole 4-h combustion experiment, including all combustion phases. Physico-chem. properties of the combustion aerosol were analyzed both online and offline. Both SPR and BCB combustion aerosols caused mild cytotoxic but notable genotoxic effects in co-cultured A549 cells after one-hour exposure. Inflammatory response anal. revealed BCB combustion aerosols to cause a mild increase in CXCL1 and CXCL8 levels, but in the case of SPR combustion aerosol, a decrease compared to control was observed

Science of the Total Environment published new progress about 191-07-1. 191-07-1 belongs to catalysis-chemistry, auxiliary class Electronic Materials, name is Coronene, and the molecular formula is C24H12, Safety of Coronene.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Hawkins, Paige M. E. published the artcilePotent bactericidal antimycobacterials targeting the chaperone ClpC1 based on the depsipeptide natural products Ecumicin and Ohmyungsamycin A, Application of Fmoc-Pro-OH, the publication is Journal of Medicinal Chemistry (2022), 65(6), 4893-4908, database is CAplus and MEDLINE.

Ohmyungsamycin A and ecumicin are structurally related cyclic depsipeptide natural products that possess activity against Mycobacterium tuberculosis (Mtb), the causative agent of tuberculosis (TB). Herein, we describe the design and synthesis of a library of analogs of these two natural products using an efficient solid-phase synthesis and late-stage macrolactamization strategy. Lead analogs possessed potent activity against Mtb in vitro (min. inhibitory concentration 125-500 nM) and were shown to inhibit protein degradation by the mycobacterial ClpC1-ClpP1P2 protease with an associated enhancement of ClpC1 ATPase activity. The most promising analog from the series exhibited rapid bactericidal killing activity against Mtb, capable of sterilizing cultures after 7 days, and retained bactericidal activity against hypoxic non-replicating Mtb. This natural product analog was also active in an in vivo zebrafish model of infection.

Journal of Medicinal Chemistry published new progress about 71989-31-6. 71989-31-6 belongs to catalysis-chemistry, auxiliary class Amino acide derivatives,pyrrolidine, name is Fmoc-Pro-OH, and the molecular formula is C20H19NO4, Application of Fmoc-Pro-OH.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Prado-Cabrero, Alfonso published the artcileIntensive production of the harpacticoid copepod Tigriopus californicus in a zero-effluent ‘water’ bioreactor, Application In Synthesis of 6217-54-5, the publication is Scientific Reports (2022), 12(1), 466, database is CAplus and MEDLINE.

Aquaculture is looking for substitutes for fishmeal and fish oil to maintain its continued growth. Zooplankton is the most nutritious option, but its controlled mass production has not yet been achieved. In this context, we have developed a monoalgal green water closed-loop bioreactor with the microalgae Tetraselmis chui that continuously produced the harpacticoid copepod Tigriopus californicus. During 145 days of operation, the 2.2 m3 bioreactor produced 3.9 kg (wet weight) of Tigriopus with (dry weight) 0.79 ¡À 0.29% eicosapentaenoic acid (EPA), 0.82 ¡À 0.26% docosahexaenoic acid (DHA), 1.89 ¡À 0,60% 3S,3S-astaxanthin and an essential amino acid index (EAAI) of 97% for juvenile Atlantic salmon. The reactor kept the pH stable over the operation time (pH 8.81 ¡À 0.40 in the algae phase and pH 8.22 ¡À 2.96 in the zooplankton phase), while constantly removed nitrate (322.6 mg L-1) and phosphate (20.4 mg L-1) from the water. As a result of the stable pH and nutrient removal, the bioreactor achieved zero effluent discharges. The upscaling of monoalgal, closed-loop green water bioreactors could help standardize zooplankton mass production to supply the aquafeeds industry.

Scientific Reports published new progress about 6217-54-5. 6217-54-5 belongs to catalysis-chemistry, auxiliary class Alkenyl,Carboxylic acid,Aliphatic hydrocarbon chain,Metabolic Enzyme,RAR/RXR,Natural product, name is Docosahexaenoic Acid, and the molecular formula is C22H32O2, Application In Synthesis of 6217-54-5.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Takeuchi, Tomoki published the artcileDiscovery of Aryloxyphenyl-Heptapeptide Hybrids as Potent and Selective Matrix Metalloproteinase-2 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis, Computed Properties of 71989-31-6, the publication is Journal of Medicinal Chemistry (2022), 65(12), 8493-8510, database is CAplus and MEDLINE.

Matrix metalloproteinase-2 (MMP2) is a zinc-dependent endopeptidase that plays important roles in the degradation of extracellular matrix proteins. MMP2 is considered to be an attractive target for the treatment of various diseases such as cancer, arthritis, and fibrosis. In this study, we have developed a novel class of MMP2-selective inhibitors by hybridizing the peptide that binds to a zinc ion and S2-S5 pockets with small mols. that bind to the S1′ pocket. Structural modifications based on X-ray crystallog. revealed that the introduction of 2,4-diaminobutanoic acid (Dab) at position 4 dramatically enhanced MMP2 selectivity by forming an electrostatic interaction with Glu130. After improving the metabolic and chem. stability, TP0556351 (9)(I) was identified. It exhibited potent MMP2 inhibitory activity (IC₅₀ = 0.20 nM) and extremely high selectivity. It suppressed the accumulation of collagen in a bleomycin-induced idiopathic pulmonary fibrosis model in mice, demonstrating the efficacy of MMP2-selective inhibitors for fibrosis.

Journal of Medicinal Chemistry published new progress about 71989-31-6. 71989-31-6 belongs to catalysis-chemistry, auxiliary class Amino acide derivatives,pyrrolidine, name is Fmoc-Pro-OH, and the molecular formula is C38H74Cl2N2O4, Computed Properties of 71989-31-6.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia