Month: October 2022

Wang, Ziyu; Pan, Jianbin; Li, Qian; Zhou, Yi; Yang, Sen; Xu, Jing-Juan; Hua, Daoben published the artcile< Improved AIE-Active Probe with High Sensitivity for Accurate Uranyl Ion Monitoring in the Wild Using Portable Electrochemiluminescence System for Environmental Applications>, Safety of 1,2-Bis(4-bromophenyl)-1,2-diphenylethene, the main research area is AIE uranyl ion sensor electrochemiluminescence system.

The development of highly sensitive and selective uranyl ion (UO22+) probes has attracted significant attention owing to the threat to human health caused by high toxicity, radioactivity, and long half-life. Herein, the development of aggregation-induced emission (AIE) active polymer dots (Pdots) is described for an accurate UO22+ monitoring using a portable electrochemiluminescence (ECL) system. An AIE-active polymer containing tetraphenylethene and boron ketoiminate moieties is prepared into Pdots and modified with ssDNA to capture UO22+, which can amplify the ECL signal of the Pdots through a resonance energy transfer mechanism. This probe provides an ultralow detection limit of 10.6 pM/2.5 ppt, which is at least two orders of magnitude lower than the known UO22+ luminescent probes. Only UO22+ can provide an obvious ECL enhancement among the various metal ions, indicating the excellent selectivity of this probe. Furthermore, a portable ECL analyzer is designed to realize UO22+ measurements in the wild. The anodic ECL mechanism of UO22+ is discovered and ECL technol. is first applied in monitoring radioactive substances. This study provides a novel strategy for the development of accurate UO22+ probes and a practical UO22+ monitoring method, indicating its potential application in the environmental and energy fields.

Advanced Functional Materials published new progress about Aggregation-induced emission. 184239-35-8 belongs to class bromides-buliding-blocks, and the molecular formula is C26H18Br2, Safety of 1,2-Bis(4-bromophenyl)-1,2-diphenylethene.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Darcy, Julia W.; Kolmar, Scott S.; Mayer, James M. published the artcile< Transition State Asymmetry in C-H Bond Cleavage by Proton-Coupled Electron Transfer>, COA of Formula: C9H9BrO3, the main research area is fluorenylbenzoate oxidation lactone multiple site concerted proton electron transfer.

The selective transformation of C-H bonds is a longstanding challenge in modern chem. A recent report details C-H oxidation via multiple-site concerted proton-electron transfer (MS-CPET), where the proton and electron in the C-H bond are transferred to sep. sites. Reactivity at a specific C-H bond was achieved by appropriate positioning of an internal benzoate base. Here, we extend that report to reactions of a series of mols. with differently substituted fluorenyl-benzoates and varying outer-sphere oxidants. These results probe the fundamental rate vs. driving force relationships in this MS-CPET reaction at carbon by sep. modulating the driving force for the proton and electron transfer components. The rate constants depend strongly on the pKa of the internal base, but depend much less on the nature of the outer-sphere oxidant. These observations suggest that the transition states for these reactions are imbalanced. D. functional theory (DFT) was used to generate an internal reaction coordinate, which qual. reproduced the exptl. observation of a transition state imbalance. Thus, in this system, homolytic C-H bond cleavage involves concerted but asynchronous transfer of the H+ and e-. The nature of this transfer has implications for synthetic methodol. and biol. systems.

Journal of the American Chemical Society published new progress about Activation enthalpy. 17100-65-1 belongs to class bromides-buliding-blocks, and the molecular formula is C9H9BrO3, COA of Formula: C9H9BrO3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Kudisch, Max; Lim, Chern-Hooi; Thordarson, Pall; Miyake, Garret M. published the artcile< Energy Transfer to Ni-Amine Complexes in Dual Catalytic, Light-Driven C-N Cross-Coupling Reactions>, Safety of 3-Bromobenzotrifluoride, the main research area is energy transfer cross coupling reaction photocatalyst.

Dual catalytic light-driven cross-coupling methodologies utilizing a Ni(II) salt with a photocatalyst (PC) have emerged as promising methodologies to forge aryl C-N bonds under mild conditions. The recent discovery that the PC can be omitted and the Ni(II) complex directly photoexcited suggests that the PC may perform energy transfer (EnT) to the Ni(II) complex, a mechanistic possibility that has recently been proposed in other systems across dual Ni photocatalysis. Here, we report the first studies in this field capable of distinguishing EnT from electron transfer (ET), and the results are consistent with Förster-type EnT from the excited state [Ru(bpy)3]Cl2 PC to Ni-amine complexes. The structure and speciation of Ni-amine complexes that are the proposed EnT acceptors were elucidated by crystallog. and spectroscopic binding studies. With the acceptors known, quant. Förster theory was utilized to predict the ratio of quenching rate constants upon changing the PC, enabling selection of an organic phenoxazine PC that proved to be more effective in catalyzing C-N cross-coupling reactions with a diverse selection of amines and aryl halides.

Journal of the American Chemical Society published new progress about C-N bond. 401-78-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3, Safety of 3-Bromobenzotrifluoride.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Zhang, Qian-Qian; Li, Yaokai; Wang, Di; Chen, Zeng; Li, Yuhao; Li, Shuixing; Zhu, Haiming; Lu, Xinhui; Chen, Hongzheng; Li, Chang-Zhi published the artcile< Intrinsically Chemo- and Thermostable Electron Acceptors for Efficient Organic Solar Cells#>, SDS of cas: 6942-39-8, the main research area is organic solar cell heterojunction stability.

The traditional preparation of non-fullerene acceptors (NFAs) via Knoevenagel condensation reaction (KCR) of aldehyde and active methylene leaves vulnerable and reversible exocyclic vinyl bonds in structures, which undermine the intrinsic chemo- and photostability of NFAs. In this work, we demonstrate a new access to acceptor-donor-acceptor (A-D-A) NFAs via Stille coupling between new electron deficient groups and classic donor core in over 90% yield, wherein the robust carbon-carbon bonds, replacing the exocyclic double bonds from traditional KCR, result in stable A-D-A acceptors, Q1-XF (X representing 0, 2 and 4 fluorine atoms, resp.). Among the three studied examples, Q1-4F exhibits improved optoelectronic and electron transport properties, leading to the best photovoltaic performance with optimal charge kinetics for Q1-4F based OSCs. Overall, this strategy can lead to a new way for developing stable photovoltaic materials.

Bulletin of the Chemical Society of Japan published new progress about Electric current-potential relationship. 6942-39-8 belongs to class bromides-buliding-blocks, and the molecular formula is C8H6BrFO2, SDS of cas: 6942-39-8.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Bouz, Ghada; Bouz, Sarah; Jandourek, Ondrej; Konecna, Klara; Barta, Pavel; Vinsova, Jarmila; Dolezal, Martin; Zitko, Jan published the artcile< Synthesis, biological evaluation, and in silico modeling of N-substituted quinoxaline-2-carboxamides>, Application In Synthesis of 3959-07-7, the main research area is N substituted quinoxaline 2 carboxamides synthesis; Mycobacterium tuberculosis; antimycobacterial; cytotoxicity; molecular docking; pyrazinamide; quinoxaline; tuberculosis.

Despite the established treatment regimens, tuberculosis remains an alarming threat to public health according to WHO. Novel agents are needed to overcome the increasing rate of resistance and perhaps achieve eradication. As part of our long-term research on pyrazine derived compounds, we prepared a series of their ortho fused derivatives, N-phenyl- and N-benzyl quinoxaline-2-carboxamides, and evaluated their in vitro antimycobacterial activity. In vitro activity against Mycobacterium tuberculosis H37Ra (represented by min. inhibitory concentration, MIC) ranged between 3.91-500μg/mL, with most compounds having moderate to good activities (MIC < 15.625μg/mL). The majority of the active compounds belonged to the N-benzyl group. In addition to antimycobacterial activity assessment, final compounds were screened for their in vitro cytotoxicity. N-(naphthalen-1-ylmethyl)quinoxaline-2-carboxamide (compound 29) was identified as a potential antineoplastic agent with selective cytotoxicity against hepatic (HepG2), ovarian (SK-OV-3), and prostate (PC-3) cancer cells lines. Mol. docking showed that human DNA topoisomerase and vascular endothelial growth factor receptor could be potential targets for 29. Pharmaceuticals published new progress about Antimycobacterial agents. 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Application In Synthesis of 3959-07-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Wang, Weibo; Li, Zhixinyi; Gao, Wei; Liu, Xiaoyu; Lv, You; Hao, Zesheng; Tang, Liangfu; Li, Kun; Zhao, Bin; Fan, Zhijin published the artcile< Design, Synthesis, and Evaluation of Novel Isothiazole-Purines as a Pyruvate Kinase-Based Fungicidal Lead Compound>, HPLC of Formula: 3959-07-7, the main research area is isothiazole purine preparation pyruvate kinase inhibitor fungicide phytopathogenic fungi; fungicidal activity; molecular docking; pyruvate kinase inhibitors.

Target identification is one of the most important bases for novel pesticide development; pyruvate kinase (PK) was discovered as a potent fungicide target in our previous studies. To continue the PK-based fungicide development, novel isothiazole-purine derivatives were rationally designed and synthesized. Bioassay results showed that compound 5ai displayed excellent in vitro activity against Rhizoctonia solani with an EC50 of 1.5μg/mL, which was superior to those of pos. controls diflumetorim with its EC50 of 19.8μg/mL and PK-based lead YZK-C22 with its EC50 of 4.2μg/mL. Compounds (I) (5.2μg/mL) and (II) (4.5μg/mL) displayed better activities against Gibberella zeae with their EC50s falling between 4.0 and 5.5μg/mL, while YZK-C22 showed an EC50 of 6.4μg/mL. In addition, (III) exhibited promising in vivo activity against Erysiphe graminis and Puccinia sorghi Schw. with 100% efficacy at 10μg/mL and 90% efficacy at 2μg/mL against P. sorghi Schw. Compound (IV) showed good PK inhibitory activity with an IC50 of 38.8μmol/L, and it was well docked into the active site of the target enzyme PK, which was slightly more active than YZK-C22 with its IC50 of 42.4μmol/L. Our studies discovered that isothiazole-purines were PK-based fungicidal leads deserving of further study.

Journal of Agricultural and Food Chemistry published new progress about Agrochemical fungicides. 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, HPLC of Formula: 3959-07-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Qi, Qingkai; Jiang, Shan; Qiao, Qinglong; Wei, Jinbei; Xu, Bin; Lu, Xiaocun; Xu, Zhaochao; Tian, Wenjing published the artcile< Direct observation of intramolecular coplanarity regulated polymorph emission of a tetraphenylethene derivative>, Category: bromides-buliding-blocks, the main research area is tetraphenylethene preparation crystal polymorphism electronic transition.

Polymorphism makes it possible to clarify the relationship between emission property and crystal structure. However, based on the exact mol. conformation in tetraphenylethene polymorphisms, it is still challenging to evaluate the difference of intramol. coplanarity without the support of calculation because of the complex combination of four different torsion angles between four peripheral benzenes and the central ethylene plane. Here, by using a di-formyl-functionalized tetraphenylethene derivative, two ideal polymorphisms with a consistent trend of the corresponding torsion angles have been obtained. For the first time, we explicitly demonstrated that intramol. coplanarity is the underlying cause of the polymorphism-dependent emission of tetraphenylethene derivatives

Chinese Chemical Letters published new progress about Bathochromic effect. 184239-35-8 belongs to class bromides-buliding-blocks, and the molecular formula is C26H18Br2, Category: bromides-buliding-blocks.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Li, Baixue; Liu, Yong; Nie, Han; Qin, Anjun; Tang, Ben Zhong published the artcile< Phosphazene Base-Mediated Azide-Alkyne Click Polymerization toward 1,5-Regioregular Polytriazoles>, Safety of 1,2-Bis(4-bromophenyl)-1,2-diphenylethene, the main research area is phosphazene base azide alkyne click polymerization regioregular polytriazole.

Cu(I)-catalyzed azide-alkyne click polymerization has become a powerful tool for the construction of 1,4-regioregular polytriazoles (PTAs). However, the polymerization toward the synthesis of 1,5-regioregular PTAs has been rarely reported, and the structure-property relationship between 1,5- and 1,4-regioregular PTAs needs to be studied further. In this work, an efficient superbase of phosphazene base (t-BuP4)-mediated azide-alkyne click polymerization was developed, and soluble and thermally stable 1,5-regioregular PTAs with high mol. weights (Mw up to 26 600) were generated in high yields (up to 99%). The relationship between the regiostructures and the thermal stability, light refractivity, photophys. properties, electrochem. behaviors of PTAs was investigated, and the results indicate that the 1,4-regioregular PTA exhibits better conjugation and planarity than that of the 1,5-regioregular one. Thus, this work not only develops a powerful t-BuP4-mediated azide-alkyne click polymerization for the preparation of 1,5-regioregular PTAs but also provides a platform for investigating the structure-property relationship of PTAs, which will guide the design of new PTAs for diverse applications.

Macromolecules (Washington, DC, United States) published new progress about Azide-alkyne 1,3-dipolar cycloaddition reaction. 184239-35-8 belongs to class bromides-buliding-blocks, and the molecular formula is C26H18Br2, Safety of 1,2-Bis(4-bromophenyl)-1,2-diphenylethene.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary