Month: November 2022

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

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

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

Yang, Haicun published the artcileHigh-efficient surface tailoring via reverse atom transfer radical polymerization and reversible addition-fragmentation chain-transfer polymerization in an aqueous system initiated by a monocenter redox pair, Formula: C6H17NO3Si, the publication is Journal of Polymer Science (Hoboken, NJ, United States) (2022), 60(10), 1571-1587, database is CAplus.

The commonly used multi-center initiation methods always lead to the formation of quantities of homopolymer in the surface tailoring based on reverse atom transfer radical polymerization (ATRP) and reversible addition-fragmentation chain-transfer (RAFT) polymerization In this study, a monocenter redox pair constructed of silica bearing tert-Bu hydroperoxide groups and ascorbic acid (SiO₂-TBHP/AsAc) was applied to substitute the commonly used initiation method of R-supported RAFT grafting polymerization All the propagating radicals were restricted on the surface of solid particles during the whole procedure theor., resulting in a higher grafting efficiency of 95.1% combined with the “controllable” feature at 10 h. This redox pair was also used to initiate the reverse ATRP in miniemulsion successfully with a grafting efficiency of 86.3% at 10 h. The grafting efficiency obtained under this monocenter initiation method was significantly higher than that of the frequently reported surface modification by reverse ATRP and RAFT polymerization In addition, the high-efficient surface tailoring was traced and confirmed by NMR, Fourier transform IR, XPS, thermogravimetric anal., transmission electron microscopy, and other anal. tests. The advantage of this monocenter redox pair will open a new avenue for the potential “high-efficient” surface tailoring of various materials.

Journal of Polymer Science (Hoboken, NJ, United States) 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 C21H37BO, Formula: C6H17NO3Si.

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

Li, Deng-Kui published the artcileThe Synthesis of 3-Arylquinolines from o-Nitrobenzaldehydes and ¦Â-Nitrostyrenes via an Iron-Promoted Reductive Cyclization, Application In Synthesis of 4230-93-7, the publication is ChemistrySelect (2017), 2(3), 1048-1051, database is CAplus.

An iron-mediated one-pot synthesis of 3-arylquinolines from o-nitrobenzaldehydes and ¦Â-nitrostyrenes has been developed. Iron acted in dual roles to trigger the reduction of o-nitrobenzaldehydes and reduction hydrolysis of ¦Â-nitrostyrenes, which subsequently integrated to quinoline derivatives

ChemistrySelect published new progress about 4230-93-7. 4230-93-7 belongs to catalysis-chemistry, auxiliary class Alkenyl,Nitro Compound,Benzene,Ether, name is 1,2-Dimethoxy-4-(2-nitrovinyl)benzene, and the molecular formula is C10H11NO4, Application In Synthesis of 4230-93-7.

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

Wang, Peng published the artcileSolvent-dependent regioselective oxidation of trans-chalcones using aqueous hydrogen peroxide, Computed Properties of 1772-76-5, the publication is Journal of the Brazilian Chemical Society (2013), 24(3), 518-522, database is CAplus.

A novel method for regioselective oxidation of trans-chalcones with hydrogen peroxide in acetonitrile to afford cinnamic acids is reported. Only trans-¦Â-arylacrylic acids were observed A wide range of functionalized products can be effectively produced from various chalcones in good to excellent yields.

Journal of the Brazilian Chemical Society 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 C18H35NO, Computed Properties of 1772-76-5.

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

Alajarin, Mateo published the artcile4-Alkenyl-2-aminothiazoles: Smart Dienes for Polar [4 + 2] Cycloadditions, Computed Properties of 6972-05-0, the publication is European Journal of Organic Chemistry (2013), 2013(3), 474-489, database is CAplus.

An exhaustive investigation into the [4 + 2] cycloadditions of 4-alkenyl-2-aminothiazoles with a wide range of dienophiles has been carried out. 4-Alkenyl-2-aminothiazoles acted as good in-out dienes, reacting with dienophiles bearing electron-withdrawing groups. The heteroannulations, typically conducted under mild conditions, were endo-selective when cyclic dienophiles were used, and regioselective when the reactions are conducted with unsym. dienophiles. The endo-selective processes presumably took place by concerted but highly asynchronous mechanisms. In contrast, the low levels of endo selectivity and the lack of stereospecificity in the reactions with certain acyclic dienophiles indicated a stepwise mechanism with a zwitterion as the most plausible intermediate. The course of the reaction changed when the highly reactive PTAD and TCNE are used as dienophiles, since in these cases, only addition products were obtained. Calculations of the HOMO and LUMO energy values of representative 4-alkenyl-2-aminothiazoles, and the results of ¦Ð-facial diastereoselective processes by using chiral substrates are also disclosed.

European Journal of Organic Chemistry 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 C3H8N2S, Computed Properties of 6972-05-0.

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

Alajarin, Mateo published the artcile5-Alkenylthiazoles as In-Out Dienes in Polar [4+2] Cycloaddition Reactions, Formula: C3H8N2S, the publication is European Journal of Organic Chemistry (2013), 2013(33), 7500-7511, database is CAplus.

5-Alkenyl-2-thiazolamine derivatives react as in-out dienes with a wide range of electron-poor dienophiles leading to the corresponding cycloaddition products in good to excellent yields. A [4+2] cycloaddition of 5-alkenyl-2-aminothiazole derivatives can be classified as site-selective because only the diene group incorporating a formal carbon-carbon double bond (C-C double bond) of the heterocycle and that of the side-chain is involved. Calculations of the HOMO energy values of representative 5-alkenyl-2-aminothiazole derivatives were disclosed. The cycloaddition is endo-selective with N-phenylmaleimide or maleic anhydride and regioselective when the reactions are conducted with nonsym. dienophiles. Completely oxidized cycloadducts are obtained in a reaction of 5-alkenyl-2-aminothiazoles with naphthoquinone or di-Me acetylenedicarboxylate (DMAD). Unexpectedly, a reaction with 4-phenyl-1,2,4-triazoline-3,5-dione (PTAD) was not stereospecific. A mechanism placed at the concerted/stepwise boundary is proposed. The synthesis of the target compounds was achieved by a reaction of N,N-dimethyl-5-[2-(phenyl)ethenyl]-2-thiazolamine 1-phenyl-1H-pyrrole-2,5-dione (maleimide), 2,5-furandione (maleic anhydride), 4-phenyl-3H-1,2,4-triazole-3,5(4H)-dione, 1,1,2,2-ethenetetracarbonitrile, 1,4-naphthalenedione, 2-butynedioic acid 1,4-di-Me ester, di-Me fumarate, 2-propenoic acid Me ester.

European Journal of Organic Chemistry 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 C3H8N2S, Formula: C3H8N2S.

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

Alajarin, Mateo published the artcileOn the [2+2] Cycloaddition of 2-Aminothiazoles and Dimethyl Acetylenedicarboxylate. Experimental and Computational Evidence of a Thermal Disrotatory Ring Opening of Fused Cyclobutenes, Safety of 1,1-Dimethylthiourea, the publication is Journal of Organic Chemistry (2006), 71(14), 5328-5339, database is CAplus and MEDLINE.

The reaction of 2-(phenylamino)- and 2-(dimethylamino)thiazoles with di-Me acetylenedicarboxylate led unexpectedly to di-Me 6-(phenylamino)- and 6-(dimethylamino)-3,4-pyridinedicarboxylates. Those compounds reasonably result from a sequence of reactions initiated by a [2 + 2] cycloaddition of the alkyne to the formal C:C of the thiazole ring. These pyridines were obtained in nearly all the cases assayed as the exclusive reaction products under rather mild conditions and in fair to good yields. In contrast, the regioisomeric 2-amino-3,4-pyridinedicarboxylates, which would result from a [4 + 2] cycloaddition followed by sulfur extrusion, were only obtained in one particular case. The two reaction paths leading alternatively to both regioisomers were investigated computationally. The resp. [2 + 2] and [4 + 2] cycloadducts were found to be formed stepwise from a common dipolar intermediate. Notably, the step following the [2 + 2] cycloaddition (i.e., the ring opening of the fused cyclobutene intermediate to give an all-cis 1,3-thiazepine) was found to take place in a disrotatory mode. Although geometric constraints and electronic factors may reduce the energy for the disrotation, the implication of the fused five-membered ring in the electronic reorganization leading to the 1,3-thiazepine is determinant. In this sense, this step could be regarded also as a thermally allowed six-electron five-center disrotatory electrocyclic ring opening. The proposed mechanism was exptl. supported by the isolation of several intermediates and other exptl. facts.

Journal of Organic Chemistry 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 C3H8N2S, Safety of 1,1-Dimethylthiourea.

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