Month: December 2022

Liu, Mingyuan published the artcileVertical profile and assessment of soil pollution from a typical coking plant by suspect screening and non-target screening using GC/QTOF-MS, Quality Control of 613-33-2, the publication is Science of the Total Environment (2022), 151278, database is CAplus and MEDLINE.

A comprehensive workflow for suspect screening and non-target screening with gas chromatog. coupled with quadrupole time-of-flight mass spectrometry (GC/QTOF-MS) was used to characterize the pollution characteristics of soil samples in a typical coking plant in China. Suspect screening confirmed 57 chems. including PAHs, alkyl PAHs, and phthalates contained in high-resolution personal compound database and library (PCDL). Non-target screening detected 88 chems. from soil samples in the NIST 17 library. A total of 122 chems. were screened in soil samples, and many of them were of emerging concern. Their presence in the soil obtained from coking operations was underestimated, such as the oxygenated PAHs (naphtho[2,1-b]furan and 9H-fluoren-9-one), and the alkyl biphenyls compounds (4,4¡ä-dimethylbiphenyl, 3,3¡ä-dimethylbiphenyl, 4-methyl-1,1¡ä-biphenyl and 2,2¡ä,5,5¡ä-tetramethyl-1,1¡ä-biphenyl). Toxicity assays by luminescent bacteria proved that the extracts from soil samples at different depths showed varying toxicity to V. qinghaiensis sp.-Q67. Soil extracts from a depth of 20-40 cm exhibited the greatest toxicity to luminescent bacteria compared with the other six-layered soil samples, which was correlated with the number of detectable pollutants and total organic carbon content. This study provided a screening method for suspect and non-target contaminants in urban industrial soil sites, which was important in identifying localized contamination sources.

Science of the Total Environment published new progress about 613-33-2. 613-33-2 belongs to catalysis-chemistry, auxiliary class Benzene, name is 4,4′-Dimethyldiphenyl, and the molecular formula is C14H14, Quality Control of 613-33-2.

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

Popiol, Justyna published the artcileThe involvement of xanthone and (E)-cinnamoyl chromophores for the design and synthesis of novel sunscreening agents, Related Products of catalysis-chemistry, the publication is International Journal of Molecular Sciences (2021), 22(1), 34, database is CAplus and MEDLINE.

In this study, seventeen novel mols. I [R¹ = H, 6-MeO, 7-Cl; R² = ([3-(2-chlorophenyl)prop-2-enoyl]oxy)methyl, ([3-phenylprop-2-enoyl]oxy)methyl, (3-([3-(4-methoxyphenyl)prop-2-enoyl]oxy)propoxy)methyl, etc.] by combining in the structures two chromophores: xanthone and (E)-cinnamoyl moiety were designed and synthesized. The UV spectroscopic properties of the tested compounds I were confirmed in chloroform solutions They acted as UVB or UVA/UVB absorbers. The most promising compound I [R¹ = 6-MeO, R² = ([3-(2,4-dimethoxyphenyl)prop-2-enoyl]oxy)methyl] absorbed UV radiation in the range 290-369 nm. Its photoprotective activity and functional photostability were further evaluated after wet milling and incorporation in the cream base. This tested formulation with compound I [R¹ = 6-MeO, R² = ([3-(2,4-dimethoxyphenyl)prop-2-enoyl]oxy)methyl] possessed very beneficial UV protection parameters (SPFin vitro of 19.69 ¡À 0.46 and UVA PF of 12.64 ¡À 0.32) which were similar as broad-spectrum UV filter tris-biphenyl triazine. Addnl., compound I [R¹ = 6-MeO, R² = ([3-(2,4-dimethoxyphenyl)prop-2-enoyl]oxy)methyl] was characterized by high values of critical wavelength (381 nm) and UVA/UVB ratio (0.830) thus it was a good candidate for broad-spectrum UV filter and it might protect skin against UVA-induced photoaging. Compound I [R¹ = 6-MeO, R² = ([3-(2,4-dimethoxyphenyl)prop-2-enoyl]oxy)methyl] were also shown to be photostable, non-cytotoxic at concentrations up to 50¦ÌM when tested on five cell lines and non-mutagenic in Ames test. It also possessed no estrogenic activity, according to the results of MCF-7 breast cancer model. Addnl., its favorable lipophilicity (miLogP = 5.62) does not predispose it to penetrate across the skin after topical application.

International Journal of Molecular Sciences published new progress about 16909-09-4. 16909-09-4 belongs to catalysis-chemistry, auxiliary class Alkenyl,Carboxylic acid,Benzene,Ether, name is (E)-3-(2,4-Dimethoxyphenyl)acrylic acid, and the molecular formula is C11H12O4, Related Products of catalysis-chemistry.

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

Spino, Claude published the artcileA Chiral Cyclohexanone Linked to Polystyrene for Solid-Phase Synthesis of Chiral ¦Á-Carbonyls, Recommanded Product: 2-Methyl-4-phenylbutanoic acid, the publication is Journal of Combinatorial Chemistry (2005), 7(2), 345-352, database is CAplus and MEDLINE.

Two chiral cyclohexanones were linked to polystyrene resin. The polymer-bound auxiliaries were subjected to a sequence of four reactions, the last of which cleaves the desired ¦Á-chiral carbonyl compound off the resin, concurrently regenerating the resin-bound auxiliary in its original form. Thus, addition of vinyllithiums, derived from alkenyl iodides R¹CH₂CH₂CH:CHI (R¹ = n-Pr, Ph, Me₃CSiMe₂O), to the resin-bound cyclohexanone I (X = resin) followed by chloroformylation / cuprate addition gave the resin-bound alkylidenecyclohexanes II (R² = Me, Me₃C, Ph, 1-naphthyl, etc.), which were cleaved by ozonation to give, after reduction of oxidation if required, a set of non-racemic alcs., aldehydes and carboxylic acids ZCHR²CH₂CH₂R¹ (Z = HOCH₂, CHO, HO₂C). The resin can then be reused.

Journal of Combinatorial Chemistry published new progress about 1949-41-3. 1949-41-3 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene, name is 2-Methyl-4-phenylbutanoic acid, and the molecular formula is C13H9FO, Recommanded Product: 2-Methyl-4-phenylbutanoic acid.

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

Birsen Buldum, Cansin published the artcileCurable benzoxazine/siloxane hybrid networks from renewable phenolics and glycerol, Computed Properties of 13822-56-5, the publication is European Polymer Journal (2022), 111329, database is CAplus.

Siloxane bearing benzoxazines from renewable phenolics such as vanillin and coumarin were prepared and reacted with glycerol by silyl ether exchange reactions to yield processable, soft, and curable bio-hybrid gels. Moreover, these benzoxazine-based gels were cured below 200¡ãC favored by the catalytic effect of hydroxyl groups present on glycerol moieties to yield bio-hybrid polybenzoxazines. All the synthesized intermediates, gels, and ultimate networks were characterized by ¹H, ¹³C NMR, FTIR, and UV-Vis analyses. The curing behavior and thermal stabilities of the monomers, glycerol-based gels and related polybenzoxazines were investigated by differential scanning calorimeter (DSC) and thermogravimetric anal. (TGA). Moreover, the activation energies of polymerization of benzoxazine monomers were determined by DSC using the Kissinger and Ozawa methods.

European Polymer Journal published new progress about 13822-56-5. 13822-56-5 belongs to catalysis-chemistry, auxiliary class Organic Silicones, name is 3-(Trimethoxysilyl)propan-1-amine, and the molecular formula is C6H17NO3Si, Computed Properties of 13822-56-5.

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

Utinans, M. published the artcileSynthesis and properties of 5-(5-amino-3,6-dichloro-1,4-benzoquinon-2-yl)-2-(dimethylamino)thiazoles, COA of Formula: C3H8N2S, the publication is Khimiya Geterotsiklicheskikh Soedinenii (1991), 410-15, database is CAplus.

The reaction of (trichlorobenzoquinonyl)triazole I (R = Cl) with secondary amines gave the corresponding 5-amino derivatives I [R = dialkylamino (II)]. The reduction and redox potentials of some II were studied.

Khimiya Geterotsiklicheskikh Soedinenii published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C28H41N2P, COA of Formula: C3H8N2S.

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

Guo, Ruqing published the artcileSynthesis of Vinylsulfones Via Palladium-Catalyzed Decarboxylative Coupling of Cinnamic Acids with Aromatic Sulfinic Acid Sodium Salts, Computed Properties of 1772-76-5, the publication is Catalysis Letters (2014), 144(8), 1377-1383, database is CAplus.

Abstract: A highly efficient synthesis of vinylsulfones was achieved via decarboxylative cross-coupling reaction of cinnamic acids with aromatic sulfinic acid sodium salts catalyzed by Pd(OAc)₂ and dppb in the presence of Ag₂CO₃. The reaction was found to furnish various vinylsulfones in good yields instead of the expected desulfitative product stilbenes. Mechanistic investigation also suggested that the decarboxylation is likely to take place after the transmetallation step.

Catalysis Letters published new progress about 1772-76-5. 1772-76-5 belongs to catalysis-chemistry, auxiliary class Benzenes, name is (E)-3-(3-Nitrophenyl)acrylic acid, and the molecular formula is C9H7NO4, Computed Properties of 1772-76-5.

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

Zhou, Qianghui published the artcileBioconjugation by Native Chemical Tagging of C-H Bonds, COA of Formula: C25H21N3O4, the publication is Journal of the American Chemical Society (2013), 135(35), 12994-12997, database is CAplus and MEDLINE.

A general C-H functionalization method for the tagging of natural products and pharmaceuticals is described. An azide-containing sulfinate reagent allows the appendage of azidoalkyl chains onto heteroaromatics, the product of which can then be attached to a monoclonal antibody by a “click” reaction. This strategy expands the breadth of bioactive small mols. that can be linked to macromols. in a manner that is beyond the scope of existing methods in bioconjugation to permit tagging of the “seemingly untaggable”.

Journal of the American Chemical Society published new progress about 1395786-30-7. 1395786-30-7 belongs to catalysis-chemistry, auxiliary class Inhibitor, name is Dbco-maleimide, and the molecular formula is C38H24F4O4P2, COA of Formula: C25H21N3O4.

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

Morrelli, Derek published the artcileRole of solvent dielectric constant on the enthalpy-entropy compensation in the hindered amide bond rotation, Product Details of C8H8O2, the publication is Chemical Physics Letters (2022), 139412, database is CAplus.

Dynamic NMR (DNMR) experiments are performed on a series of analogs derived from N, N-diethyl-m-toluamide (DEET) in six different solvents of varying dielec. constant from toluene-d₈ (¦Å = 2.38) to DMSO-d₆ (¦Å = 46.7). The thermodn. parameters of the restricted rotation to the solvent dielec. constant do not have a straightforward correlation relationship between them. However, the activation enthalpy and entropy of more than sixty different exptl. measurements indicate that enthalpy-entropy compensation (EEC) was independent of the solvent condition with a compensation temperature of 287.81 ¡À 3.95 K. The results, therefore, support the broader role of EEC on the partial amide bond dynamics in the DEET analogs over the temperature range studied.

Chemical Physics Letters published new progress about 118-90-1. 118-90-1 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Natural product, name is 2-Methylbenzoic acid, and the molecular formula is C8H8O2, Product Details of C8H8O2.

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

Szonyi, F. published the artcileNew methods of preparation of 2-(perfluoroalkyl)ethylamines, Related Products of catalysis-chemistry, the publication is Journal of Fluorine Chemistry (1991), 55(1), 85-92, database is CAplus.

(Perfluoroalkyl)ethyl azides R_fCH₂CH₂N₃ (R_f = perfluoroethyl, -butyl, –n-hexyl, or –n-octyl) were reduced to the corresponding amines by 4 methods, i.e., Ph₃P/NH₄OH, N₂H₄.H₂O/Raney Ni, NaBH₄ under phase-transfer conditions, or Zn/AcOH.

Journal of Fluorine Chemistry published new progress about 30670-30-5. 30670-30-5 belongs to catalysis-chemistry, auxiliary class Polyfluoroalkanes, name is 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecan-1-amine, and the molecular formula is C11H15NO2, Related Products of catalysis-chemistry.

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

Moldovan, Rares-Petru published the artcileDesign, radiosynthesis and preliminary biological evaluation in mice of a brain-penetrant ¹⁸F-Labelled ¦Ò₂ receptor ligand, Formula: C17H37NO3, the publication is International Journal of Molecular Sciences (2021), 22(11), 5447, database is CAplus and MEDLINE.

The ¦Ò₂ receptor (transmembrane protein 97), which is involved in cholesterol homeostasis, is of high relevance for neoplastic processes. The upregulated expression of ¦Ò₂ receptors in cancer cells and tissue in combination with the antiproliferative potency of ¦Ò₂ receptor ligands motivates the research in the field of ¦Ò₂ receptors for the diagnosis and therapy of different types of cancer. Starting from the well described 2-(4-(1H-indol-1-yl)butyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline class of compounds, we synthesized a novel series of fluorinated derivatives bearing the F-atom at the aromatic indole/azaindole subunit. RM273 (2-[4-(6-fluoro-1H-pyrrolo[2,3-b]pyridin-1-yl)butyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline) was selected for labeling with ¹⁸F and evaluation regarding detection of ¦Ò₂ receptors in the brain by positron emission tomog. Initial metabolism and biodistribution studies of [¹⁸F]RM273 in healthy mice revealed promising penetration of the radioligand into the brain. Preliminary in vitro autoradiog. on brain cryosections of an orthotopic rat glioblastoma model proved the potential of the radioligand to detect the upregulation of ¦Ò₂ receptors in glioblastoma cells compared to healthy brain tissue. The results indicate that the herein developed ¦Ò₂ receptor ligand [¹⁸F]RM273 has potential to assess by non-invasive mol. imaging the correlation between the availability of ¦Ò₂ receptors and properties of brain tumors such as tumor proliferation or resistance towards particular therapies.

International Journal of Molecular Sciences 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, Formula: C17H37NO3.

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