Tag: M.W=300-350

Khazaei, Mohammad published the artcileSelective removal of mercury(II) from water using a 2,2-dithiodisalicylic acid-functionalized graphene oxide nanocomposite, kinetic, thermodynamic, and reusability studies, Product Details of C14H10O4S2, the publication is Journal of Molecular Liquids (2018), 189-198, database is CAplus.

2,2-Dithiodisalicylic acid-functionalized magnetic graphene oxide (Fe₃O₄@DTSA_GO) was used for the selective removal of Hg(II) from aqueous solution The equilibrium was reached after 10 min and the maximum Hg(II) adsorption capacity of the Fe₃O₄@DTSA_GO nanocomposite was 283.5 mg g^-1. The Hg(II) adsorption ability increased with the pH value of the aqueous solution Isotherm and kinetic studies revealed the Sips isotherm model and pseudo-second kinetic model to provide the best fit to the exptl. results. The pos. value of ¦¤H¡ã indicated endothermic interactions between Hg(II) and Fe₃O₄@DTSA_GO, while the neg. ¦¤G¡ã revealed a spontaneous reaction and the pos. ¦¤S¡ã an increase of the randomness at the solid-solute interface during the adsorption process. The selective removal of Hg(II) by the nanocomposite confirmed the presence of higher-affinity binding sites for Hg(II) than for Cd(II), Co(II), Zn(II), and Ni(II) ions. Furthermore, the Fe₃O₄@DTSA_GO nanocomposite exhibited excellent preferential adsorption for Hg(II) spiked in drinking water samples. EDTA 0.01 N was found to be an efficient elution agent for nanocomposite regeneration, with which over 84% of the adsorbed Hg(II) was recovered after five adsorption/desorption cycles.

Journal of Molecular Liquids 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 C14H10O4S2, Product Details of C14H10O4S2.

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

Al-Hamdani, Yasmine S. published the artcileInteractions between large molecules pose a puzzle for reference quantum mechanical methods, HPLC of Formula: 191-07-1, the publication is Nature Communications (2021), 12(1), 3927, database is CAplus and MEDLINE.

Quantum-mech. methods are used for understanding mol. interactions throughout the natural sciences. Quantum diffusion Monte Carlo (DMC) and coupled cluster with single, double, and perturbative triple excitations [CCSD(T)] are state-of-the-art trusted wavefunction methods that have been shown to yield accurate interaction energies for small organic mols. These methods provide valuable reference information for widely-used semi-empirical and machine learning potentials, especially where exptl. information is scarce. However, agreement for systems beyond small mols. is a crucial remaining milestone for cementing the benchmark accuracy of these methods. We show that CCSD(T) and DMC interaction energies are not consistent for a set of polarizable supramols. While there is agreement for some of the complexes, in a few key systems disagreements of up to 8 kcal mol^-1 remain. These findings thus indicate that more caution is required when aiming at reproducible non-covalent interactions between extended mols.

Nature Communications 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, HPLC of Formula: 191-07-1.

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

Kuboyama, Takeshi published the artcileStoichiometry-focused ¹⁸F-labeling of alkyne-substituted oligodeoxynucleotides using azido([¹⁸F]fluoromethyl)benzenes by Cu-catalyzed Huisgen reaction, Synthetic Route of 17351-62-1, the publication is Bioorganic & Medicinal Chemistry (2011), 19(1), 249-255, database is CAplus and MEDLINE.

A novel method for ¹⁸F-radiolabeling of oligodeoxynucleotides (ODNs) by a Cu-catalyzed Huisgen reaction has been developed by using the lowest possible amount of the precursor biomol. for the realization of stoichiometry-oriented PET (positron emission tomog.) chem. Under the optimized cyclization conditions of p- or m-azido([¹⁸F]fluoromethyl)benzene and alkyne-substituted ODN (20 nmol) at 40 ¡ãC for 15 min in the presence of CuSO₄, TBTA [tris((1-benzyl-1H-1,2,3-triazol-4-yl)methyl)amine], and sodium ascorbate (2:1:2), the synthesis of ¹⁸F-labeled ODNs with sufficiently high radioactivities of 2.1-2.5 GBq and specific radioactivities of 1800-2400 GBq/¦Ìmol have been accomplished for use in animal and human PET studies.

Bioorganic & Medicinal Chemistry 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, Synthetic Route of 17351-62-1.

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

Gade, Swapna M. published the artcileSynthesis of glycidol from glycerol and dimethyl carbonate using ionic liquid as a catalyst, Synthetic Route of 17351-62-1, the publication is Catalysis Communications (2012), 184-188, database is CAplus.

Transesterification of di-Me carbonate with glycerol has been investigated using various ionic liquids as catalysts. Synthesis of glycidol with high selectivity (78%) has been achieved using tetramethylammonium hydroxide ([TMA][OH]) as a catalyst at 80 ¡ãC. Effect of various reaction conditions on the activity and selectivity was investigated and catalyst concentration had a significant influence on conversion as well as selectivity to glycidol. Activity as well as selectivity of the catalyst decreased significantly with increase in moisture content. Recycle experiment indicated slight drop in glycerol conversion and selectivity to glycidol because of dilution of reaction mixture and also the presence of products from the initial experiment

Catalysis Communications 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, Synthetic Route of 17351-62-1.

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

Kubota, L. T. published the artcileElectrochemical investigation of some aromatic redox mediators immobilized on titanium phosphate, Name: 5,9-Diaminobenzo[a]phenoxazin-7-ium acetate, the publication is Quimica Analitica (Barcelona) (2000), 19(Supl. 1), 15-27, database is CAplus.

Some phenazines, phenoxazines, and phenothiazines as well as riboflavin were immobilized on amorphous titanium phosphate (TP) by adsorption from aqueous solutions The immobilized organic redox compounds revealed a reasonable electron transfer rate and with a formal potential (E¡ã’) at pH 7.0 more pos. than that observed for their corresponding aqueous soluble counterparts. This shift in the E¡ã’ was partly assigned to the acidity of TP. The E¡ã’ of the immobilized redox compound remained virtually constant with a variation of the solution pH between 1 and 8 and was attributed to the protection effect of the matrix. Attenuated total reflectance IR spectroscopy (ATRIS) of methylene blue and riboflavin adsorbed onto TP deposited on ZnSe-prism was also used to shed further light on the interaction between these aromatic redox compounds and TP, as ATRIS is sensitive to the mode of adsorption of mols. on surfaces. Four of the immobilized compounds (Nile blue, methylene blue, toluidine blue O, methylene violet) were shown to be efficient as electron transfer mediators to electrocatalytically oxidize NADH in aqueous solution at pH 7.0. The kinetic parameters such as apparent Michaelis-Menten constant were obtained for these four immobilized mediators.

Quimica Analitica (Barcelona) published new progress about 10510-54-0. 10510-54-0 belongs to catalysis-chemistry, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Inhibitor,Inhibitor, name is 5,9-Diaminobenzo[a]phenoxazin-7-ium acetate, and the molecular formula is C18H15N3O3, Name: 5,9-Diaminobenzo[a]phenoxazin-7-ium acetate.

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

Rauf, Abdul published the artcileQuantitative structure-property relationship of Ev-degree and Ve-degree based topological indices with physico-chemical properties of benzene derivatives and application, Recommanded Product: Coronene, the publication is International Journal of Quantum Chemistry (2022), 122(5), e26851, database is CAplus.

A quant. structure-property relationship study was performed for the prediction of phys. properties of 22 benzene derivatives using ev-degree and ve-degree topol. indexes. A topol. index is designed by transforming a chem. structure into a numeric number These topol. indexes correlate certain physico-chem. properties like mol. weight, enthalpy, b.p. and ¦Ð-electron energy of ¦Â-unit of benzene derivatives At first, a simple linear regression model was developed using ve-degree and ev-degree topol. indexes and the certain phys. properties of the considered benzene derivatives It is found that the atom bond connectivity index (ABC^ve) possesses the best correlating ability among several topol. indexes to predict the b.p., the ve-degree based Randic index R^ve is the best predictor of enthalpy, the ev degree based Randic index Rev is the best predictor of ¦Ð-electron energy, the sum connectivity index ¦Ö^ve is the best predictor of mol. weight Second, multiple linear regressions were used for prediction the phys. properties (mol. weight, b.p., enthalpy and ¦Ð-electron energy of ¦Â-unit) on the basis of six predictor such as M₁^¦Âve, M₂^¦Âve, GA^ve, ¦Ö^ve, R^ve, and H^ve indexes. This multi-linear regression model shows the 100% variation in ¦Ð-electron energy of ¦Â-unit. A Maple software based algorithm is used for the calculations of topol. indexes and the statistical anal. is performed with the SPSS software. The calculations of the ev and ve degree based topol. indexes of chem. structure of styrene-butadiene rubber are presented at the end to illustrate the given Maple algorithm.

International Journal of Quantum Chemistry 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, Recommanded Product: Coronene.

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

Rauf, Abdul published the artcileQuantitative structure-property relationship of edge weighted and degree-based entropy of benzene derivatives, Quality Control of 191-07-1, the publication is International Journal of Quantum Chemistry (2022), 122(3), e26839, database is CAplus.

The topol. indexes are used to predict the phys. properties of chem. compounds It is an efficient technique in avoiding valuable and long laboratory experiments For this, we computed the weighted degree and weighted edge-based topol. indexes and developed a quant. structure-property relationship between these entropy indexes and the scaling phys. properties of benzene derivatives We developed a Maple based algorithm to compute these indexes and the correlation between topol. indexes and phys. properties have been developed with the software SPSS. Our study reveals that the redefined third Zagreb entropy ENTReZG3 is the most significant parameter and has good prediction ability for the phys. properties b.p. and mol. weight

International Journal of Quantum Chemistry 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, Quality Control of 191-07-1.

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

Tang, Zeyuan published the artcileDimerization of dehydrogenated polycyclic aromatic hydrocarbons on graphene, Quality Control of 191-07-1, the publication is Journal of Chemical Physics (2022), 156(13), 134703, database is CAplus and MEDLINE.

Dimerization of polycyclic aromatic hydrocarbons (PAHs) is an important, yet poorly understood, step in the on-surface synthesis of graphene (nanoribbon), soot formation, and growth of carbonaceous dust grains in the interstellar medium (ISM). The on-surface synthesis of graphene and the growth of carbonaceous dust grains in the ISM require the chem. dimerization in which chem. bonds are formed between PAH monomers. An accurate and cheap method of exploring structure rearrangements is needed to reveal the mechanism of chem. dimerization on surfaces. This work has investigated the chem. dimerization of two dehydrogenated PAHs (coronene and pentacene) on graphene via an evolutionary algorithm augmented by machine learning surrogate potentials and a set of customized structure operators. Different dimer structures on surfaces have been successfully located by our structure search methods. Their binding energies are within the exptl. errors of temperature programmed desorption measurements. The mechanism of coronene dimer formation on graphene is further studied and discussed. (c) 2022 American Institute of Physics.

Journal of Chemical Physics 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 C12H10F2Si, Quality Control of 191-07-1.

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

Choi, Jin published the artcileEffects of dietary docosahexaenoic acid enrichment in Artemia feed on the growth, survival, and fatty acid composition of Pacific cod (Gadus macrocephalus) larvae, Recommanded Product: Docosahexaenoic Acid, the publication is Aquaculture Research (2022), 53(12), 4353-4362, database is CAplus.

Optimal larviculture techniques have yet to be established for Pacific cod (Gadus macrocephalus), particularly in relation to the nutritional quality of live prey. Elevated mortality during early life stages is a major concern during the production of Pacific cod larvae; this seems to be related to, among other things, nutritional deficiency during the early feeding stage, particularly the quantities and proportions of highly unsaturated fatty acids in live food. With the aim of improving the growth and survival of larval Pacific cod while also determining the optimum level of dietary docosahexaenoic acid (DHA), we investigated the effects of four levels of dietary DHA (0%, 3%, 6%, and 9% of total fatty acids [TFAs]) on the growth, survival, and tissue fatty composition of larvae. The actual DHA concentrations of the diets were 0.22%, 3.09%, 5.88%, and 9.28% of TFAs for D1, D2, D3, and D4 diets resp. From 43 to 64 days post hatch, larvae were fed the exptl. diets. Larvae fed D3 diet had the highest survival rates, total length, and total weight at the end of the feeding trial. The fatty acid composition of the whole larval body reflected the corresponding dietary composition Overall, these results suggest that a DHA level of 4.85%-8.50% of TFAs is optimal in the diet of larval Pacific cod during Artemia feeding.

Aquaculture Research 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, Recommanded Product: Docosahexaenoic Acid.

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

Wang, Yiqing published the artcileNumerical analysis of very rich propagating spherical flames: Soot formation and its impact on the determination of laminar flame speed, HPLC of Formula: 191-07-1, the publication is Combustion and Flame (2022), 111860, database is CAplus.

Fuel-rich combustion is a promising technique to produce hydrogen by reforming hydrocarbons. Predictive modeling of the fuel reforming process needs a reliable chem. mechanism which is usually validated using laminar flame speed (LFS) data. While LFSs have been extensively employed to optimize mechanisms under fuel-lean, stoichiometric, and slightly fuel-rich conditions, it remains a formidable challenge to measure the LFSs of very rich mixtures (e.g., equivalence ratio ?¡Ý2) due to significant soot formation in such conditions, which leads to the LFS data under fuel-rich conditions being rather scarce. To overcome the challenge, a clear understanding of soot formation and its impact on LFS measurements is required. In this work, a series of one-dimensional outwardly propagating spherical flames (OPFs) with and without considering soot formation are simulated for rich ethylene/air mixtures (2.0¡Ü?¡Ü3.5), in order to understand soot dynamics and morphol. in the OPFs and to quantify the effects of soot formation on the determination of LFS using the OPF method under fuel-rich conditions. To this end, a detailed chem. accounting for major pathways of PAH formation up to A7 (coronene, C₂₄H₁₂) is employed and coupled with a state-of-the-art soot model considering nucleation, condensation, coagulation, surface growth, oxidation, and fragmentation. It is found that soot dynamics and morphol. are very sensitive to the change in equivalence ratio and flame radius. Specifically, surface growth and oxidation play a dominant role in soot formation/evolution and can balance each other at ? = 2.0, resulting in limited soot formation. However, the PAH-based condensation can dominate over other processes at ?¡Ý2.5 and hence a large amount of soot is observed Moreover, the maximum value of primary particle diameters would tend to a constant as the flame radius increases. The results also show that the ratio between total soot mass and the mass of burned gas, msoot/mburned, follows an exponential law given by msoot/mburned = 100.47?-3.76, implying that soot formation can be exponentially enhanced by increasing equivalence ratio. Furthermore, it is found that under very rich conditions, the presence of soot has a significant impact on the determination of LFS, which leads to the measured LFS at ? = 3.5 being 22% lower than 1D planar adiabatic flame speed. This is mainly attributed to the thermal and flow effects of soot radiation, i.e., the reduction of flame temperature and neg. flow speed of the burned gas. The above findings suggest that the impact of soot radiation should be carefully treated when determining the LFSs of rich premixed mixtures at ?¡Ý2.0.

Combustion and Flame 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 C18H35NO, HPLC of Formula: 191-07-1.

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