New Journal of Chemistry最新文献_第3页

The electrochemical CO2 reduction reaction on TM–C3N5 for C1 products: a DFT study† TM-C3N5 上 C1 产物的 CO2 电化学还原反应：一项 DFT 研究†。

IF 2.7 3区化学

New Journal of Chemistry Pub Date : 2024-09-23 DOI: 10.1039/D4NJ02934H

Huijun Cao and Li Sheng

{"title":"The electrochemical CO2 reduction reaction on TM–C3N5 for C1 products: a DFT study†","authors":"Huijun Cao and Li Sheng","doi":"10.1039/D4NJ02934H","DOIUrl":"https://doi.org/10.1039/D4NJ02934H","url":null,"abstract":"In the electrochemical CO2 reduction reaction (CO2RR), transition metal atoms embedded in carbon and nitrogen materials are widely used as highly efficient catalysts because of their excellent catalytic activity and maximum atomic utilization. In this study, we used density functional theory (DFT) to screen catalysts with both thermodynamic and electrochemical stability of Fe–C3N5, Co–C3N5, Ni–C3N5 and Cu–C3N5 from 3d transition metal atoms embedded in C3N5 (TM–C3N5, TM = Sc–Zn). The adsorption and activation of CO2 on the four catalysts were analyzed by means of Bader charge and projected density of states (PDOS). The ultimate potential (UL) and crystal orbital Hamilton population (COHP) analysis showed that the dominant product of CO2 on Fe–C3N5 and Ni–C3N5 was HCOOH, with excellent activity and selectivity. Cu–C3N5 has good ability to reduce CO2 to CH3OH. At the same time, Fe–C3N5, Ni–C3N5 and Cu–C3N5 can effectively inhibit the occurrence of the HER.","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2024-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142434674","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Amphiphilic nano-assembly for dehydrative amination reactions of alcohols in aqueous medium† 用于水介质中醇的脱水胺化反应的两性纳米组装†。

IF 2.7 3区化学

New Journal of Chemistry Pub Date : 2024-09-21 DOI: 10.1039/D4NJ02943G

Waqar Ahmed and Pil Seok Chae

{"title":"Amphiphilic nano-assembly for dehydrative amination reactions of alcohols in aqueous medium†","authors":"Waqar Ahmed and Pil Seok Chae","doi":"10.1039/D4NJ02943G","DOIUrl":"https://doi.org/10.1039/D4NJ02943G","url":null,"abstract":"Nano-assemblies such as surfactant micelles and vesicles are widely used in drug carriers, bioreactors, and gene delivery, but can also be used as catalytic systems for chemical transformations. In the current study, we introduce nano-assemblies formed by a novel sulfonate-based amphiphilic catalyst, designated Cat-2, which are responsive to acid catalyst (HBF4) and metal catalyst (Fe(BF4)2). When the amphiphilic assemblies of Cat-2 were applied for dehydrative aminations of allylic or benzylic alcohols, we obtained the desired sulfonamide or carboxamide products with reasonable to good yields (58–92%). This methodology was also applied for gram-scale synthesis of the FDA-approved drug naftifine. Cat-2 formed small micelles (∼20 nm) in water, which were transformed into large nano-assemblies (∼550 nm) upon the addition of HBF4 and Fe(BF4)2. This morphological change mainly originates from the coordination of the sulfonate group to Fe2+. The resulting Cat-2-Fe2+ assemblies contain amide groups at the hydrophilic–hydrophobic interfaces, which act as mediators for an effective proton transfer from HBF4 in a bulk solution to the alcoholic substrate in the assembly interior. As a result, the protonated alcoholic substrate undergoes dehydration to initiate a catalytic cycle for the dehydrative amination reaction. The present methodology is favorable due to its facile and green setup, cost effectiveness, and use of easily accessible and non-toxic catalysts. In addition, the current study provides insight into the design of nano-assemblies for catalyzing organic transformations.","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2024-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142434685","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Impact of aging on metal oxide-doped fluorophosphate nanopowder 老化对掺杂金属氧化物的氟磷酸盐纳米粉体的影响

IF 2.7 3区化学

New Journal of Chemistry Pub Date : 2024-09-20 DOI: 10.1039/D4NJ03631J

Sundara Moorthi Ganesan, Ravichandran Kandaswamy, Vijayakumar Chinnaswamy Thangavel and Pugalanthipandian Sankaralingam

{"title":"Impact of aging on metal oxide-doped fluorophosphate nanopowder","authors":"Sundara Moorthi Ganesan, Ravichandran Kandaswamy, Vijayakumar Chinnaswamy Thangavel and Pugalanthipandian Sankaralingam","doi":"10.1039/D4NJ03631J","DOIUrl":"https://doi.org/10.1039/D4NJ03631J","url":null,"abstract":"The aging behavior of silver and zinc oxide-doped fluorophosphate nanopowders, developed for orthopedic applications, was investigated to address storage stability concerns. Over 12 months, the nanopowders were analyzed using Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy dispersive X-ray analysis (EDX). FTIR revealed a reduction in the O–H peak intensity from 3435 cm−1 to 1633 cm−1, indicating absorption of environmental CO2/moisture and the formation of carbonates or phosphocarbonates. XRD demonstrated new crystalline peaks at 2θ angles of 15° and 30°, confirming crystallization over time. SEM images showed significant crystal growth, particularly after six months, with particles transitioning from amorphous to more crystalline forms. EDX analysis indicated a notable reduction in silver (Ag) and zinc (Zn) peaks, alongside the appearance of sodium (Na), oxygen (O), and carbon (C) peaks, pointing to environmental contamination and oxidation. These findings emphasize the need for vacuum-sealed storage to preserve the structural integrity and extend the shelf life of these nanopowders, enhancing their biomedical applications.","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2024-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142397554","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A reusable polymer supported catalyst for copper-azide–alkyne cycloaddition (CuAAC) under ambient conditions† 一种可重复使用的聚合物支撑催化剂，用于在环境条件下进行铜-叠氮-炔环加成反应（CuAAC）†。

IF 2.7 3区化学

New Journal of Chemistry Pub Date : 2024-09-20 DOI: 10.1039/D4NJ03432E

Suku Arya, Abdul Shiyas Asiya and Saithalavi Anas

{"title":"A reusable polymer supported catalyst for copper-azide–alkyne cycloaddition (CuAAC) under ambient conditions†","authors":"Suku Arya, Abdul Shiyas Asiya and Saithalavi Anas","doi":"10.1039/D4NJ03432E","DOIUrl":"https://doi.org/10.1039/D4NJ03432E","url":null,"abstract":"A novel recyclable polymer-supported copper(II) catalyst [mPAN-Cu(II)] is developed for the azide–alkyne ‘click’ reaction (CuAAC) under ambient conditions. mPAN-Cu(II) can be easily prepared by immobilizing copper chloride over suitably functionalized polyacrylonitrile (mPAN). After detailed spectroscopic characterization, the catalytic efficacy of mPAN-Cu(II) has been successfully explored for a one-pot, three-component Click reaction involving benzylbromide, sodium azide and phenyl acetylenes under mild conditions. Systematic optimization studies offered a more efficient and sustainable reaction protocol in the presence of sodium ascorbate, leading to the regioselective formation of 1,4-disubstituted 1,2,3-triazoles. This greener protocol was found to be general over a series of substrates, and the resulting products were isolated with good to excellent yields. Moreover, this catalyst can be easily recovered after the reaction and reused for up to six cycles without much drop in catalytic performance.","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2024-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142434667","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Development of biobased mildew- and bacterial resistant adhesives through keratin molecule recombination 通过角蛋白分子重组开发抗霉菌和细菌的生物基粘合剂

IF 2.7 3区化学

New Journal of Chemistry Pub Date : 2024-09-19 DOI: 10.1039/D4NJ03499F

Li Feng, Jin Chuan Wu, Yongxiang Wang and Qingxin Li

引用次数: 0

Unveiling the aggregation-induced chromic emission of triazine anchored BODIPYs† 揭示三嗪锚定 BODIPY 的聚合诱导色发射

IF 2.7 3区化学

New Journal of Chemistry Pub Date : 2024-09-19 DOI: 10.1039/D4NJ03757J

Pranay Satardekar, Vaishali Chaudhari, Zahir Ali Siddiqui, Sushil Lambud, Nagaiyan Sekar, Rajesh Bhosale and Sandeep More

引用次数: 0

Catalytic asymmetric synthesis of guaiazulene analogues† 瓜氮烯类似物的催化不对称合成†。

IF 2.7 3区化学

New Journal of Chemistry Pub Date : 2024-09-19 DOI: 10.1039/D4NJ02771J

Xiang Ji, Shengwen Yang, Zhifei Zhao and Shi-Wu Li

引用次数: 0

Study on the photo-assisted activation of PMS by CuMo1−xWxO4 for degradation of tetracycline† CuMo1-xWxO4 光助活化 PMS 以降解四环素的研究

IF 2.7 3区化学

New Journal of Chemistry Pub Date : 2024-09-19 DOI: 10.1039/D4NJ03347G

Yonglei Xing, Yongqin Chen, Fenyi Tian, Xiaoyong Jin, Hafiz Muhammad Asif Javed and Gang Ni

{"title":"Study on the photo-assisted activation of PMS by CuMo1−xWxO4 for degradation of tetracycline†","authors":"Yonglei Xing, Yongqin Chen, Fenyi Tian, Xiaoyong Jin, Hafiz Muhammad Asif Javed and Gang Ni","doi":"10.1039/D4NJ03347G","DOIUrl":"10.1039/D4NJ03347G","url":null,"abstract":"In this study, a series of CuMo1−xWxO4 solid solutions (CMWO) were prepared by adjusting the ratio of Mo to W. The morphology, phase, specific surface area, and valence state of the catalysts were characterized using SEM, TEM, XRD, BET, and XPS analysis. The photoelectric characteristics of the CuMo1−xWxO4 solid solution materials were analyzed in detail using Mott–Schottky, EIS, PL, and UV-vis DRS analysis. The experimental results show that the energy band structure of the CMWO solid solutions can be tuned to inhibit the carrier recombination under light excitation, thereby facilitating effective electron–hole pair separation. This significantly enhances the performance of photo-assisted PMS activation for tetracycline (TC) degradation. The solid solution material CMWO-3, with a Mo/W ratio of 7 : 3, achieved a TC degradation rate of 88% at pH 5. After five cycles, the TC degradation rate remained at 86%. Throughout the reaction process, photocatalysis and PMS activation exhibited a synergistic effect, generating reactive species such as SO4˙−, ˙OH, 1O2, and ˙O2−.","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142253100","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Correction: Fluorescence imaging of cellular GSH to reveal the hindering influence of rutin on ferroptosis 更正：细胞 GSH 荧光成像揭示芦丁对铁突变的阻碍作用

IF 2.7 3区化学

New Journal of Chemistry Pub Date : 2024-09-19 DOI: 10.1039/D4NJ90129K

Abdul Hadi Mehmood, Jia Chang, Yan Wang, Shijing Li, Jiale Ma, Baoli Dong and Hong Liu

引用次数: 0

A low-temperature solution route for the synthesis of single crystals of BaSe3 and its photovoltaic study† 合成 BaSe3 单晶体的低温溶液路线及其光电研究

IF 2.7 3区化学

New Journal of Chemistry Pub Date : 2024-09-18 DOI: 10.1039/D4NJ03041A

Komal Srivastava, Akshay K. Ray, Sweta Yadav, Melepurath Deepa and Jai Prakash

{"title":"A low-temperature solution route for the synthesis of single crystals of BaSe3 and its photovoltaic study†","authors":"Komal Srivastava, Akshay K. Ray, Sweta Yadav, Melepurath Deepa and Jai Prakash","doi":"10.1039/D4NJ03041A","DOIUrl":"10.1039/D4NJ03041A","url":null,"abstract":"Cadmium chalcogenides are excellent materials for solar cell applications but are also toxic. Thus, new environmentally friendly metal chalcogenides with good photovoltaic properties need to be developed for sustainable applications. Herein, we describe the preparation of red-colored crystals of BaSe3 using a low-temperature solution route for the first time. The BaSe3 structure was determined and refined using a single-crystal X-ray diffraction study. The tetragonal BaSe3 (space group: P<img>21m) phase has cell constants of a = b = 7.2871(3) Å and c = 4.2516(3) Å. The chemical bonding in the BaSe3 structure can be described using the Zintl–Klemm concept. The Ba atoms of the structure donate electrons to the Se atoms to form the trimeric Se32− Zintl anions. We have investigated the physical properties of a polycrystalline BaSe3 sample, which was synthesized at high temperatures via a reaction of pure elements. The sample is a semiconductor with direct and indirect optical bandgap energies of 1.7(2) eV and 1.6(2) eV, respectively, as estimated using the Tauc plot method. The polycrystalline BaSe3 sample's total thermal conductivity (κtot) is 1.07 W m−1 K−1 near room temperature, which gradually drops to 0.47 W m−1 K−1 on heating the sample to 773 K. The photovoltaic studies of the material, BaSe3, show a 20.4% increment in efficiency with its inclusion in the TiO2/CdS photoanode due to enhanced light-harvesting and suppressed recombination at the photoanode/electrolyte interface.","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":2.7,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142253124","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0