Tag: M.W=300-350

Zhang, Hanwen published the artcileAn improved strategy for the synthesis of [¹⁸F]-labeled arabinofuranosyl nucleosides, Category: catalysis-chemistry, the publication is Nuclear Medicine and Biology (2012), 39(8), 1182-1188, database is CAplus and MEDLINE.

The expression of the herpes simplex virus type-1 thymidine kinase (HSV1-tk) gene can be imaged efficaciously using a variety of 2′-[¹⁸F]fluoro-2′-deoxy-1-¦Â-D-arabinofuranosyl-uracil derivatives [¹⁸F]-F(X)AU (X = I, Et, Me), e.g. I. However, the application of these derivatives in clin. and translational studies has been impeded by their complicated and long syntheses (3-5 h). To remedy these issues, in the study at hand we have investigated whether microwave or combined catalysts could facilitate the coupling reaction between sugar and nucleobase and, further, have probed the feasibility of establishing a novel approach for [¹⁸F]-F(X)AU synthesis. We have demonstrated that the rate of the trimethylsilyl trifluoromethanesulfonate (TMSOTf)-catalyzed coupling reaction between the 2-deoxy-sugar and uracil derivatives at 90 ¡ãC can be significantly accelerated by microwave-driven heating or by the addition of Lewis acid catalyst (SnCl₄). Further, we have observed that the stability of the ¦Á- and ¦Â-anomers of [¹⁸F]-F(X)AU derivatives differs during the hydrolysis step. Using the microwave-driven heating approach, overall decay-corrected radiochem. yields of 19%-27% were achieved for [¹⁸F]-FXAU in 120 min at a specific activity of > 22 MBq/nmol (595 Ci/mmol). Ultimately, we believe that these high yielding syntheses of [¹⁸F]-F(I)AU, [¹⁸F]-F(Me)AU and [¹⁸F]-F(Et)AU will facilitate routine production for clin. applications.

Nuclear Medicine and Biology 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 C8H7ClO3, Category: catalysis-chemistry.

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

Wen, Wuqiang published the artcileStructure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis, Category: catalysis-chemistry, the publication is Journal of Medicinal Chemistry (2022), 65(3), 2656-2674, database is CAplus and MEDLINE.

Fructose-1,6-bisphosphate aldolase (FBA) represents an attractive new antifungal target. Here, we employed a structure-based optimization strategy to discover a novel covalent binding site (C292 site) and the first-in-class covalent allosteric inhibitors of FBA from Candida albicans (CaFBA). Site-directed mutagenesis, liquid chromatog.-mass spectrometry, and the crystallog. structures of APO-CaFBA, CaFBA-G3P, and C157S-I revealed that S268 is an essential pharmacophore for the catalytic activity of CaFBA, and L288 is an allosteric regulation switch for CaFBA. Furthermore, most of the CaFBA covalent inhibitors exhibited good inhibitory activity against azole-resistant C. albicans, and compound II can inhibit the growth of azole-resistant strains 103 with the MIC₈₀ of 1¦Ìg/mL. Collectively, this work identifies a new covalent allosteric site of CaFBA and discovers the first generation of covalent inhibitors for fungal FBA with potent inhibitory activity against resistant fungi, establishing a structural foundation and providing a promising strategy for the design of potent antifungal drugs.

Journal of Medicinal Chemistry 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 C20H28B2O4S2, Category: catalysis-chemistry.

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

Cui, Jingtao published the artcileComprehensive lipid profiles of sea cage aquaculture cobia (Rachycentron canadum) based on lipidomics, Application In Synthesis of 6217-54-5, the publication is Journal of Food Composition and Analysis (2022), 104664, database is CAplus.

Cobia (Rachycentron canadum) is a significant fish species for mariculture with high nutritional value. This research aims to comprehensively investigate the lipid profiles of cobia tissues, including fatty acid profiles, characteristics of phospholipids (PL) and triacylglycerols (TAG), and lipid mol. species. The results showed that cobia contained high levels of total lipids (2.89 -32.09% of wet weight), docosahexaenoic acid (DHA, 10.83 -14.69% of total fatty acids) and eicosapentaenoic acid (EPA, 3.54 -9.68%). Compared with TAG, higher levels of polyunsaturated fatty acids, DHA/EPA in particular, were concentrated in PL. Interestingly, DHA was predominantly distributed in the sn-1 position of PL and the sn-2 position of TAG, whereas EPA was predominantly distributed in the external positions of PL and TAG. Addnl., at least 693 mol. species from 23 subclasses were identified by ultrahigh-performance liquid chromatog.-quadrupole exactive-mass spectrometry (UPLC-Q-Exactive-MS). Glycerophospholipids (63.19 -66.61%) and glycerolipids (19.17 -22.21%) were the major lipid classes in cobia tissues, and the majority of them contained DHA and EPA. Hence, this comprehensive anal. will help to evaluate the lipid nutritional values and facilitate exploitation in cobia consumption and processing.

Journal of Food Composition and Analysis 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

Fumagalli, Gabriele published the artcileTargeting a novel KRAS binding site: Application of one-component stapling of small (5-6-mer) peptides, Recommanded Product: Fmoc-Pro-OH, the publication is Journal of Medicinal Chemistry (2021), 64(23), 17287-17303, database is CAplus and MEDLINE.

RAS proteins are central in the proliferation of many types of cancer, but a general approach toward the identification of pan-mutant RAS inhibitors has remained unresolved. In this work, we describe the application of a binding pharmacophore identified from anal. of known RAS binding peptides to the design of novel peptides. Using a chem. divergent approach, we generated a library of small stapled peptides from which we identified compounds with weak binding activity. Exploration of structure-activity relationships (SARs) and optimization of these early compounds led to low-micromolar binders of KRAS that block nucleotide exchange.

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, Recommanded Product: Fmoc-Pro-OH.

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

Kielbasa, Anna published the artcileA novel non-derivatization HPLC/UV method for the determination of some n-3 free fatty acids in breast milk matrix, Recommanded Product: Docosahexaenoic Acid, the publication is Microchemical Journal (2022), 107789, database is CAplus.

The mother¡ä s milk is a valuable source of many nutrients, including fatty acids (FAs). The most important fatty acids are polyunsaturated fatty acids (PUFAs), including linoleic and alpha-linolenic acids (ALA) that are essential for humans, as well as fatty acids that are formed by desaturation and elongation, such as eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA) that occur in small amounts in breast milk. The content of exogenous fatty acids in milk is influenced by maternal age, genetics, hormones, infections, metabolic disorders, medications, dietary habits, supplementation, adiposity, lactation stage, feeding method, intervals between breastfeeding, and duration of breastfeeding. The proposed method for isolating fatty acids from breast milk has a recovery rate of 80-92% (SD of 4-9). Most importantly, derivatization to Me esters is not necessary. Due to low limits of detection (e.g. 0.009¦Ìg/mL of milk for DHA) and quantification (e.g. 0.090 ¦Ìg/mL of milk for DHA), as well as high linearity (R2 = 0.9997), this method can be effectively used to identify and quantify three unsaturated fatty acids in breast milk using HPLC/UV. The developed method for the isolation and determination of PUFAs in breast milk can be widely applied in routine research, e.g. in milk banks.

Microchemical Journal 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

Ballesteros-Gomez, Ana published the artcileMultifunctional vesicular coacervates as engineered supramolecular solvents for wastewater treatment, Computed Properties of 10510-54-0, the publication is Chemosphere (2019), 569-576, database is CAplus and MEDLINE.

In this study, multifunctional supramol. solvents (SUPRASs) able to simultaneously extract ionic, polar and hydrophobic organic compounds from wastewater have been developed. SUPRASs were synthesized in aqueous solutions containing mixtures of carboxylic acids and carboxylates that underwent spontaneous self-assembly and coacervation under the addition of tetraalkylammonium ions. These SUPRAS consisted of coacervate droplets made up of large unilamellar vesicular aggregates bridged by tetraalkylammonium ions. Both, the high kinetic stability of vesicles and their strong interaction with tetraalkylammonium ions through different bonds working cooperatively, made supramol. nanostructures in the SUPRAS chem. stable, which minimized the presence of solvent residues in the treated water. The suitability of the synthesized SUPRASs to behave as multifunctional extractants in water treatment was investigated by their application to the removal of anionic, cationic and ionizable dyes and PAHs. All the variables affecting the extraction process were optimized (i.e. chain length of the tetraalkylammonium ion, fractional SUPRAS phase volume, pH, ionic strength, pollutant concentration and stirring time/rate). All the pollutants selected were efficiently removed at room temperature and a fractional SUPRAS phase volume of 0.01. Applicability of the SUPRAS-based treatment to the efficient removal of dyes in textile effluents and benzo(a)pyrene in tap water was proved.

Chemosphere 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, Computed Properties of 10510-54-0.

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

Li, Zibo published the artcileAutomated synthesis of 2′-deoxy-2′-[¹⁸F]fluoro-5-methyl-1-¦Â-D-arabinofuranosyluracil ([¹⁸F]-FMAU) using a one reactor radiosynthesis module, SDS of cas: 17351-62-1, the publication is Nuclear Medicine and Biology (2011), 38(2), 201-206, database is CAplus and MEDLINE.

2′-Deoxy-2′-[¹⁸F]fluoro-5-methyl-1-¦Â-D-arabinofuranosyluracil ([¹⁸F]-FMAU) is an established PET probe used to monitor cellular proliferation. For clin. applications, a fully automated cGMP-compliant radiosynthesis would be preferred. However, the current synthesis of [¹⁸F]-FMAU requires a multistep procedure, making the development of an automated protocol difficult and complicated. Recently, we have developed a significantly simplified one-pot reaction condition for the synthesis of [¹⁸F]-FMAU in the presence of Friedel-Crafts catalysts. Here, we report a fully automated synthesis of [¹⁸F]-FMAU based on a one reactor radiosynthesis module using our newly developed synthetic method. The product was purified on a semi-preparative high-performance liquid chromatog. integrated with the synthesis module using 6% EtOH in 10 mM phosphate buffer or 8% MeCN/water. [¹⁸F]-FMAU was obtained in 12¡À3% radiochem. yield (decay corrected overall yield based on [¹⁸F]-F^–, n=4) with 383¡À33 mCi/¦Ìmol specific activity at the time of injection. The ¦Á/¦Â anomer ratio was 4:6. The overall reaction time was about 150 min from the end of bombardment and the radiochem. purity was >99%. This automated synthesis should also be suitable for the production of other 5-substituted thymidine analogs.

Nuclear Medicine and Biology 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, SDS of cas: 17351-62-1.

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

Kong, Dongqing published the artcilePolycyclic Aromatic Hydrocarbons as a New Class of Promising Cathode Materials for Aluminum-Ion Batteries, COA of Formula: C24H12, the publication is Angewandte Chemie, International Edition (2022), 61(3), e202114681, database is CAplus and MEDLINE.

As an emerging post-lithium battery technol., aluminum ion batteries (AIBs) have the advantages of large Al reserves and high safety, and have great potential to be applied to power grid energy storage. But current graphite cathode materials are limited in charge storage capacity due to the formation of stage-4 graphite-intercalated compounds (GICs) in the fully charged state. Herein, we propose a new type of cathode materials for AIBs, namely polycyclic aromatic hydrocarbons (PAHs), which resemble graphite in terms of the large conjugated ¦Ð bond, but do not form GICs in the charge process. Quantum chem. calculations show that PAHs can bind AlCl₄^– through the interaction between the conjugated ¦Ð bond in the PAHs and ₄^–, forming on-plane interactions. The theor. specific capacity of PAHs is neg. correlated with the number of benzene rings in the PAHs. Then, under the guidance of theor. calculations, anthracene, a three-ring PAH, was evaluated as a cathode material for AIBs. Electrochem. measurements show that anthracene has a high specific capacity of 157 mAh g^-1 (at 100 mA g^-1) and still maintains a specific capacity of 130 mAh g^-1 after 800 cycles. This work provides a feasible “theory guides practice” research model for the development of energy storage materials, and also provides a new class of promising cathode materials for AIBs.

Angewandte Chemie, International Edition 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

Al-Haideri, Lina Majeed Haider published the artcileDFT calculations of structural and electronic features for mono and dual Pb-doped models of graphene, Recommanded Product: Coronene, the publication is Indian Journal of Physics (2022), 96(10), 2795-2800, database is CAplus.

Mono and dual lead (Pb)-doped models of graphene were investigated in this work by means of performing d. functional theory (DFT) calculations Coronene was considered in this work as a representative structure of graphene in a mol. scale. For dual Pb-doped models, two conformations of Cis and Trans were investigated by putting two Pb atoms at the same side of graphene in the Cis model and locating two Pb atoms at the opposite sides in the Trans model. The models were optimized to obtain the minimized energy structures, which were confirmed by the evaluated non-imaginary frequencies. Mol. and at. features were obtained to recognize the effects of Pb dopant on structural and electronic features of graphene for making a comparison for the investigated models. As the main achievements of this work, the models were successfully optimized by better benefits of formation of the Cis model in comparison with the other models. Based on the evaluated electronic features, developments of further applications could be expected for such models systems.

Indian Journal of 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 C24H12, Recommanded Product: Coronene.

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

Distefano, Alessia published the artcileCarbon dots surface chemistry drives fluorescent properties: New tools to distinguish isobaric peptides, HPLC of Formula: 71989-31-6, the publication is Journal of Colloid and Interface Science (2022), 405-414, database is CAplus and MEDLINE.

The possibility to design rational carbon dots surface functionalization for specific anal. and bioanal. applications is hindered by the lack of a full knowledge of the surface chem. features driving fluorescent properties. In this model study, we have synthesized four different peptides, three of which are isobaric and not distinguishable by common MSMS experiments After having characterized the peptides conformations by CD analyses, we have covalently bonded all four peptides to carbon dots by using different exptl. procedures, which produce different functional groups on the carbon dots surface. The peptide orientations obtained on the differently functionalized surface of the nanoparticles were different and produced different fluorescent responses. The reported results indicate the possibility to design amino and carboxyl enriched surface carbon dots to answer specific chem. requirements, paving the way for the use of these nanoparticles as a versatile and useful new chem. and biochem. tool.

Journal of Colloid and Interface Science 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, HPLC of Formula: 71989-31-6.

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