New Journal of Chemistry最新文献

{"title":"Expression of concern: Phytic acid-doped poly-N-phenylglycine potato peels for removal of anionic dyes: investigation of adsorption parameters","authors":"Kahina Bouhadjra, Alexandre Barras, Wahiba Lemlikchi, Ahmed Addad, Manash R. Das, Mohammed A. Amin, Sabine Szunerits and Rabah Boukherroub","doi":"10.1039/D4NJ90170C","DOIUrl":"https://doi.org/10.1039/D4NJ90170C","url":null,"abstract":"<p >Expression of concern for ‘Phytic acid-doped poly-<em>N</em>-phenylglycine potato peels for removal of anionic dyes: investigation of adsorption parameters’ by Kahina Bouhadjra <em>et al.</em>, <em>New J. Chem.</em>, 2022, <strong>46</strong>, 5111–5120, https://doi.org/10.1039/D1NJ04713B.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 1","pages":" 345-345"},"PeriodicalIF":2.7,"publicationDate":"2024-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/nj/d4nj90170c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142826070","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Computational studies of the metal-free [3+2] cycloaddition reaction of azide with enaminone for the synthesis of 1,2,3-triazoles†","authors":"Mohammad Abd Al-Hakim Badawi, Maram Dagher, Abdullah Yahya Abdullah Alzahrani, Ali A. Khairbek and Renjith Thomas","doi":"10.1039/D4NJ04341C","DOIUrl":"https://doi.org/10.1039/D4NJ04341C","url":null,"abstract":"<p >In this study, we investigated the mechanism of [3+2] cycloaddition (32CA) reaction between phenyl azide and phenyl enaminone using the M06-2X/6-31+G(d,p) level of theory for the first time. Computational results indicate that the metal-free azide-enaminone 32CA reaction for the selective synthesis of 1,2,3-triazoles in toluene proceeds along the 1,4- and 1,5-pathway, with the corresponding activation free energies (Δ<em>G</em>) of about 30.3 and 39.5 kcal mol<small>⁻¹</small>, respectively, corresponding to the 32CA step. The alternative mechanism for this reaction in the presence of a catalyst and water as the solvent is proposed. The solvents studied displayed similar effects on activation energies (<em>E</em><small>^#</small>) and Δ<em>G</em>. The results of our computational study on the effect of phenyl azide substituents are consistent with the experimental observations in terms of reaction yield. The global and local nucleophilic and electrophilic indices of reagents and non-covalent interactions (NCI) are analyzed to determine the selectivity of the reaction and elucidate the most stable transition state structures.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 1","pages":" 291-301"},"PeriodicalIF":2.7,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142826065","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}

{"title":"4-Amino-1,2,3-triazine 2-oxide: a promising structural unit for the design and synthesis of novel energetic materials with good thermal stability and low impact sensitivity†","authors":"Ziwu Cai, Junhao Shi, Qian Yu, Tianyu Jiang and Wenquan Zhang","doi":"10.1039/D4NJ04219K","DOIUrl":"https://doi.org/10.1039/D4NJ04219K","url":null,"abstract":"<p >A new [6,6]-fused ring energetic molecule, 4-amino-6,8-dinitrobenzo[<em>d</em>][1,2,3]triazine 2-oxide (<strong>1</strong>), was designed and synthesised using 4-amino-1,2,3-triazine 2-oxide as the basic skeleton unit. Subsequently, an amino group was incorporated into the corresponding position of compound <strong>1</strong><em>via</em> a vicarious nucleophilic substitution (VNS) reaction, resulting in the formation of 4,5-diamino-6,8-dinitrobenzo[<em>d</em>][1,2,3]triazine 2-oxide (<strong>2</strong>). Despite the introduction of adjacent C–NO<small>₂</small>/C–NH<small>₂</small> blocks into the molecular structure of compound <strong>2</strong>, which is generally accepted to contribute to the increase in the thermal decomposition temperature of energetic molecules, the results of thermal analysis demonstrated that the thermal decomposition temperature of compound <strong>2</strong> (<em>T</em><small>_d</small> = 285 °C) was lower than that of its precursor (<em>T</em><small>_d</small> = 311 °C). This suggested that the incorporation of adjacent C–NO<small>₂</small>/C–NH<small>₂</small> blocks into the molecular structure did not inevitably lead to the formation of novel energetic molecules with enhanced thermal decomposition temperatures. To elucidate the mechanism behind this phenomenon, the structures of compounds <strong>1</strong> and <strong>2</strong> were subjected to detailed analysis using X-ray diffraction and quantum chemical calculations. Both <strong>1</strong> and <strong>2</strong> displayed high resistance to mechanical impact and were prepared using straightforward methods. The aforementioned results suggested that both <strong>1</strong> and <strong>2</strong> can be employed as heat-resistant, insensitive energetic materials.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 1","pages":" 302-310"},"PeriodicalIF":2.7,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142826066","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}

{"title":"Carbon nanotube supported spherical NiFe-spinel heterostructure for sensitive electrochemical detection of aristolochic acid†","authors":"Hongmei Jiang, Mei Zhang, Wenjun Liu, Jinyu Guan, Qinyi Cao, Jun Fang, Hao Yao, Xia Wang, Jun Zhong and Xiaoying Liu","doi":"10.1039/D4NJ03817G","DOIUrl":"https://doi.org/10.1039/D4NJ03817G","url":null,"abstract":"<p >Aristolochic acid (AA) has strong carcinogenicity, and it has been reported that the medicinal and edible plant <em>Houttuynia cordata</em> may contain AA. Among transition metals, nickel and iron have outstanding catalytic ability for nitro reduction. The multivalent NiFe<small>₂</small>O<small>₄</small> (NFO), which effectively promotes the redox reaction, has become a promising electrochemical material. In this work, we innovatively used a one-pot hydrothermal method to prepare NFO <em>in situ</em> on the surface of carbon nanotubes. For the first time, the composite NiFe<small>₂</small>O<small>₄</small>@MWCNTs (NFO@CNTs) was utilized to build a sensitive electrochemical sensor for detecting AA. The NFO@CNTs/GCE exhibited strong electrochemical performance due to the synergistic effect of high catalytic activity of NFO and good conductivity of carbon nanotubes. Furthermore, in order to provide a basis for the safe use of <em>Houttuynia cordata</em>, the electrochemical senor was successfully applied to detect AA in Chinese herbal medicines, confirming its practicability in real samples. This work broadens the application of nickel ferrite, which is expected to be a new candidate material for sensors.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 1","pages":" 273-280"},"PeriodicalIF":2.7,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142826062","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}

{"title":"Benzimidazole-based low-sensitivity and heat-resistant energetic materials: design and synthesis†","authors":"Ying Liang, Xian-Kun Hu, Zhang-Lei Yang, Miao-Miao Liu, Yao Zhang, Jin-Ting Wu, Jian-Guo Zhang, Ting-Xing Zhao, Shan-Hu Sun and Shu-Min Wang","doi":"10.1039/D4NJ04471A","DOIUrl":"https://doi.org/10.1039/D4NJ04471A","url":null,"abstract":"<p >Heat-resistant and low-sensitivity energetic materials are urgently needed in demanding environments, such as deep oil wells, space blasting, and hypersonic weapons. Herein, through the processes of substitution, reduction, cyclizati<em>o</em>n, nitration, and ammoniation, two nitro groups and two amino groups were successfully introduced into a benzimidazole framework to prepare a new heat-resistant energetic material, 4,6-diamino-5,7-dinitro-1<em>H</em>-benzo[<em>d</em>]imidazole (<strong>DADNBI</strong>). Single crystal X-ray diffraction was executed to verify the structure of the compound. Crystal <strong>DADNBI</strong> belongs to the <em>C</em>2/<em>c</em> space group and monoclinic crystal system. The thermal stability of <strong>DADNBI</strong> was analyzed through differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA), and results showed that the decomposition temperature of <strong>DADNBI</strong> was 366 °C, which is higher than that of 2,4,6-trinitrotoluene (TNT) (<em>T</em><small>_d</small>: 295 °C), hexanitrostilbene (HNS) (<em>T</em><small>_d</small>: 318 °C), and 5,5′-bis(2,4,6-trinitrophenyl)-2,2′-bi(1,3,4-oxadiazole) (TKX-55) (<em>T</em><small>_d</small>: 335 °C) and comparable to that of 1,3,5-tritamino-2,4,6-trinitrobenzene (TATB) (<em>T</em><small>_d</small>: 360 °C). Non-isothermal thermal decomposition kinetics and Mayer bond pole calculations verified the excellent thermal stability of <strong>DADNBI</strong> from a theoretical perspective. The characteristic drop height (<em>h</em><small>_50%</small>) of <strong>DADNBI</strong> is 305 cm. All these parameters of <strong>DADNBI</strong> far exceed those of the reported 5,7-dinitro-1<em>H</em>-benzo[<em>d</em>]imidazole (DNBI). This work offers important guidelines from both theoretical and experimental perspectives for designing and synthesizing new insensitive heat-resistant energetic materials.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 1","pages":" 257-262"},"PeriodicalIF":2.7,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142826060","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}

{"title":"Copper complex of phenylglycine-functionalized UiO-66-NH2: a chiral MOF catalyst for enantioselective Henry reaction†","authors":"Khadijeh Rasolinia, Hamid Arvinnezhad and Saadi Samadi","doi":"10.1039/D4NJ03149K","DOIUrl":"https://doi.org/10.1039/D4NJ03149K","url":null,"abstract":"<p >In this study, a Zr based MOF chiral catalyst was synthesized, characterized, and then examined in the enantioselective Henry reactions. The process involved the synthesis of <strong>UiO-66-NH<small>₂</small></strong>, followed by its functionalization with 2-chloroacetyl chloride. Subsequently, <small>L</small>-phenylglycine was immobilized on the functionalized MOF to prepare a chiral heterogeneous ligand. Finally, the prepared chiral ligand was complexed with Cu(CH<small>₃</small>CN)<small>₄</small>PF<small>₆</small> to obtain the chiral heterogeneous catalyst. All of the synthesized materials were characterized using various methods including FT-IR, XRD, SEM, EDX, elemental mapping, and BET/BJH analysis. Evaluation of the catalytic activity of the prepared chiral heterogeneous catalyst under different conditions demonstrated that the best results can be achieved under solvent free green conditions at room temperature, producing excellent yields and low to moderate enantioselectivities. The heterogeneous catalyst was recovered and reused easily, maintaining activity over three consecutive cycles.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 1","pages":" 213-222"},"PeriodicalIF":2.7,"publicationDate":"2024-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142826014","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}

{"title":"An efficient visible light-driven double-well-based Pt/CdS/3D-graphene heterostructure for electrocatalytic and photo-electrocatalytic methanol oxidation†","authors":"Habib Ullah, Muqaddas Fatima Mumtaz, Asad Mumtaz, Hina Sajid, Sani Zahra, Sabahat Sardar, Uzma Naz, Qamir Ullah Niazi, Shahid Iqbal, Syed Farooq Adil, Mohammad Rafe Hatshan, Mujeeb Khan, Jaweria Ambreen, Muhammad Imran Irshad and Muhammad Ahmad","doi":"10.1039/D4NJ04462B","DOIUrl":"https://doi.org/10.1039/D4NJ04462B","url":null,"abstract":"<p >In this article, the impact of the loading of CdS between Pt and 3D graphene was investigated determining enhanced visible light absorption and efficient charge separation at the interfaces that have improved methanol oxidation reaction activities. The structural, morphological, optical and electrochemical properties of photoanodes were investigated. The highest current density reached 264 mA cm<small>⁻²</small> at 0.28 V <em>vs.</em> Ag/AgCl under one sun illumination for Pt/10-CdS/3D-Gr@Ni-Foam as compared to 116 mA cm<small>⁻²</small> at 0.26 V for Ag/AgCl in the dark at a scan rate of 10 mV s<small>⁻¹</small>. The diffusion coefficient of electron transfer is also enhanced to 3.99 × 10<small>⁻³</small> cm<small>²</small> s<small>⁻¹</small> under illumination as compared to 2.971 × 10<small>⁻³</small> cm<small>²</small> s<small>⁻¹</small> under dark conditions for the Pt/10-CdS/3D-Gr@Ni-Foam heterostructure. The decrease in the charge transfer resistance (<em>R</em><small>_ct</small>) from 34.31 Ω to 2.38 Ω indicated that the introduction of CdS enhanced the separation and transportation of photoexcited charges and also improved the kinetics of the electron transfer reaction. The Pt/10-CdS/3D-Gr@Ni-Foam exhibited a significantly enhanced net donor density (<em>N</em><small>_D</small>) of 2.5 × 10<small>²⁰</small>, surpassing the donor density of 1.5 × 10<small>²⁰</small> of the Pt/3D-Gr@Ni-Foam. Both Pt and 3D-graphene are being utilized as a well, for efficient charge separation and transportation at either side of the CdS sandwich, resulting in effective transfer of charges at the corresponding Pt/CdS/3D-Gr@Ni-Foam heterostructure interfaces and increased electron density on Pt showed its unprecedented potential to be utilized for electrocatalytic and photo-electrocatalytic applications.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 1","pages":" 160-173"},"PeriodicalIF":2.7,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142826010","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}

{"title":"Remobilization of ZnO–TA nanoadsorbent for U(vi) and Th(iv) extraction: adsorption optimization through the Box–Behnken design model†","authors":"Manish Sharma, Priya Sharma, Payal Taneja, Vikash Chandra Janu and Ragini Gupta","doi":"10.1039/D4NJ04199B","DOIUrl":"https://doi.org/10.1039/D4NJ04199B","url":null,"abstract":"<p >The rapid expansion of nuclear technology has led to increasing volumes of radioactive wastewater, threatening the environment and necessitating the removal of contaminants in order to protect the surroundings. This report presents the sequestration of U(<small>VI</small>) and Th(<small>IV</small>) ions through an adsorption technique using a highly efficient ZnO–TA nanoadsorbent, driven by ionic interactions with the surface-active functional groups of the adsorbent. This nanoadsorbent was successfully synthesized using a hydrothermal process and structurally analyzed through various analytical techniques. Batch experiments were performed to study different parameters such as the influence of pH, amount of sorbent, time, initial concentration of sorbate, and interference of other ions. Adsorption study parameters were optimized <em>via</em> the response surface methodology and systematic batch studies. The highest removal efficiencies of 99.98% (U(<small>VI</small>)) and 98.80% (Th(<small>IV</small>)) ions were obtained at pH =4, using 10 mL of 50 mg L<small>⁻¹</small> adsorbate concentration with 3 mg and 4 mg of adsorbent within 15 min, respectively. Moreover, the maximum adsorption capacities under optimum conditions were evaluated to be 909.09 mg g<small>⁻¹</small> and 380.62 mg g<small>⁻¹</small> for U(<small>VI</small>) and Th(<small>IV</small>) ions, respectively. These results were derived using the Langmuir isotherm model adhering to pseudo-second-order kinetics. The dominant adsorption mechanism of U(<small>VI</small>) and Th(<small>IV</small>) onto the ZnO–TA nanoadsorbent is explained through the interplay of electrostatic interactions and hydrogen bonding between the functional group active binding sites. Therefore, the results stated that the synthesized adsorbent, with its excellent recyclability, is effective in uranium and thorium uptake.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 1","pages":" 72-83"},"PeriodicalIF":2.7,"publicationDate":"2024-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142826074","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}

{"title":"Mild chemical-activated hydrothermal porous carbon derived from durian peel biomass for an electrochemical supercapacitor†","authors":"Liujie Wang, Xueji Ma, Zhihua Ma, Pengfa Li and Wenbo Li","doi":"10.1039/D4NJ03624G","DOIUrl":"https://doi.org/10.1039/D4NJ03624G","url":null,"abstract":"<p >Because waste biomass is the ideal precursor for the preparation of porous carbon, the reuse of waste biomass resources has become a current research hotspot. However, because of the complexity of waste biomass and its microstructure, the quality reproduction of discarded biomass is poor. Therefore, it is of great significance to develop a reliable method for the preparation of porous carbon. In this paper, a hydrothermal carbonization treatment could complete the sphere/nanosheet morphology structure adjustment and KHCO<small>₃</small> could activate the hydrothermal porous carbon while maintaining the spherical morphology. The activated hydrothermal porous carbon with a carbon sphere/nanosheet structure facilitated ion/electrolyte diffusion and increased accessibility between the surface area and electrolyte ions. The durian peel-derived activated hydrothermal porous carbon had a high specific surface area (2100.5 m<small>²</small> g<small>⁻¹</small>), good specific capacitance (267 F g<small>⁻¹</small> at 1 A g<small>⁻¹</small>) and good cycling stability, with a capacitance loss of only 6.7% after 10 000 charge–discharge cycles. A Na<small>₂</small>SO<small>₄</small>-based cell achieved a maximum energy density of 14.45 W h kg<small>⁻¹</small> at 225 W kg<small>⁻¹</small>; even at a higher power density of 4500 W kg<small>⁻¹</small>, the specific energy remained at 10.75 W h kg<small>⁻¹</small>.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 1","pages":" 61-71"},"PeriodicalIF":2.7,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142826073","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}

{"title":"Correction: Evaluation of a ZnO–NiO/rGO hybrid electrocatalyst for enhanced oxygen reduction reaction (ORR) applications","authors":"S. Nagarani, Jih-Hsing Chang, M. Yuvaraj, K. Mohanraj, G. Dipsikha and S. Balachandran","doi":"10.1039/D4NJ90178A","DOIUrl":"https://doi.org/10.1039/D4NJ90178A","url":null,"abstract":"<p >Correction for ‘Evaluation of a ZnO–NiO/rGO hybrid electrocatalyst for enhanced oxygen reduction reaction (ORR) applications’ by S. Nagarani <em>et al.</em>, <em>New J. Chem.</em>, 2024, <strong>48</strong>, 10910–10924, https://doi.org/10.1039/d3nj05305a.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 48","pages":" 20423-20423"},"PeriodicalIF":2.7,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/nj/d4nj90178a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142798109","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}