Journal of the Iranian Chemical Society最新文献_第2页

Synthesis, structural elucidation, single crystal, and theoretical studies of copper triazole complex 三唑铜配合物的合成、结构解析、单晶及理论研究

IF 2.4 4区化学

Journal of the Iranian Chemical Society Pub Date : 2026-08-21 DOI: 10.1007/s13738-026-03594-9

Sunil Sarfraz, Hameed Ullah, Saqib Ali, Ali Haider, Zahid Rashid, Khurram Shahzad Munawar, Muhammad Nawaz Tahir, Muhammad Ashfaq, Saghir Abbas, Farah Gul

{"title":"Synthesis, structural elucidation, single crystal, and theoretical studies of copper triazole complex","authors":"Sunil Sarfraz, Hameed Ullah, Saqib Ali, Ali Haider, Zahid Rashid, Khurram Shahzad Munawar, Muhammad Nawaz Tahir, Muhammad Ashfaq, Saghir Abbas, Farah Gul","doi":"10.1007/s13738-026-03594-9","DOIUrl":"10.1007/s13738-026-03594-9","url":null,"abstract":"<div><p>A new copper(II) complex, [CuCl<sub><b>2</b></sub>(ATS)(bpy)] (ATS = <i>(E)− 2-(((4H-1,2,4-triazol-4-yl)imino)methyl)phenol</i>; bpy = 2,2′-bipyridine), was synthesized and characterized by elemental (CHN), UV–Visible, and FT-IR spectroscopy, along with single-crystal X-ray diffraction (SC-XRD) analyses. In the crystal structure of the complex, the metal center is coordinated by an <b>ATS</b>, a 2,2′-bipyridine, and two chloride ions, forming a coordination geometry that lies between trigonal bipyramidal and square pyramidal. This coordination is further validated by DFT calculations, which also provide insights into frontier orbital energies, revealing the electronic features that govern the redox behavior. Intermolecular interactions are studied using Hirshfeld surface analysis to highlight their role in the stability of crystal packing. The cyclic voltammetric studies of the complex showed a distinct Cu(II)/Cu(I) redox response, indicating active electron transfer properties associated with the coordinated triazole imine ligand framework. Scan rate studies revealed that the electrode process is predominantly diffusion-controlled, suggesting that mass transport governs the redox behavior in solution. Electronic properties of the synthesized triazole ligand (<b>ATS</b>) and copper(II) complex were investigated by band gap analysis using UV–Visible analysis, which revealed a wider band gap for the copper complex as compared to the ligand. In silico molecular docking revealed that the Cu(II) complex exhibits strong binding affinity for DNA.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 9","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148783036","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Monitoring of BTEX levels in saliva and urine using optimized MWCNTs/ATSB nanocomposite fibers: a comparative study on benzene-steroid hormones interaction 使用优化的MWCNTs/ATSB纳米复合纤维监测唾液和尿液中的BTEX水平：苯-类固醇激素相互作用的比较研究

IF 2.4 4区化学

Journal of the Iranian Chemical Society Pub Date : 2026-08-21 DOI: 10.1007/s13738-026-03580-1

Rahele Tahmasebi, Khalil Farhadi, Aysan Rafipour

{"title":"Monitoring of BTEX levels in saliva and urine using optimized MWCNTs/ATSB nanocomposite fibers: a comparative study on benzene-steroid hormones interaction","authors":"Rahele Tahmasebi, Khalil Farhadi, Aysan Rafipour","doi":"10.1007/s13738-026-03580-1","DOIUrl":"10.1007/s13738-026-03580-1","url":null,"abstract":"<div><p>BTEX (benzene, toluene, ethylbenzene, xylene) and/or their metabolites compounds have been used as biomarkers. Monitoring BTEXlevels in biological samples like blood, saliva, or urine helps evaluate individual exposure and potentialhealth risks, making them useful biomarker candidates in environmental and occupational health studies. Solid-phase microextraction (SPME) fibers containing multi-walled carbon nanotubes (MWCNTs) and aluminum tri-sec-butylate (ATSB) sol-gel were prepared and applied to survey BTEX compounds levels, followed by analysis using gas chromatography coupled with flame ionization detector (GC-FID) via headspace SPME. Important parameters including extraction temperature and time, as well as desorption temperature and time- were optimized using response surface methodology (RSM) and analysis of variance (ANOVA) to maximize extraction eficiency. The method was validated for linearity, precision and limit of detection (LOD). The optimized conditions were used to analyze BTEX levels in saliva and urine samples. The fibers demonstrated high thermal stability up to 250 °C, indicating excellent thermal resilience and allowing effective desorption without fiber degradation, which is critical for reproducibility and long-term use. Additionally, binding interaction of benzene with steroid hormones was studied using Scatchard method.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 9","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148783211","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Ion-imprinted polymer-based selective separation of Ytterbium (III) from complex mixtures of transition and rare earth metals 离子印迹聚合物基选择性分离过渡金属和稀土金属混合物中的镱（III）

IF 2.4 4区化学

Journal of the Iranian Chemical Society Pub Date : 2026-08-21 DOI: 10.1007/s13738-026-03542-7

Maryam Karimi, Alireza Grayeli

{"title":"Ion-imprinted polymer-based selective separation of Ytterbium (III) from complex mixtures of transition and rare earth metals","authors":"Maryam Karimi, Alireza Grayeli","doi":"10.1007/s13738-026-03542-7","DOIUrl":"10.1007/s13738-026-03542-7","url":null,"abstract":"<div><p>This research investigates the fabrication and application of ion-imprinted polymers as highly selective adsorbents for the efficient separation and purification of ytterbium ions. First, a complex of ytterbium was formed using the ligand 1,4-dihydroxy-9,10-anthraquinone (QZ). The ion-imprinted polymer (IIP) was then synthesized through precipitation polymerization in 2-methoxyethanol (2-ME) as the solvent. Ethylene glycol dimethacrylate (EGDMA), 2-hydroxyethyl methacrylate (2-HEMA), and 2,2-azobisisobutyronitrile (AIBN) were used as the cross-linker, functional monomer, and initiator, respectively. Non-imprinted polymers (NIPs) were also synthesized using the same procedure but without the addition ytterbium ions. To characterize the structure and properties of the synthesized polymers, FT-IR, XRD, FESEM, EDS, and TGA analyses were performed. Key factors influencing the adsorption and desorption processes, including pH, adsorbent dosage, contact time, and the type, concentration, and volume of the eluent, were investigated and optimized. The optimal pH for maximum recovery was determined to be 8. The Yb-IIP exhibited a high adsorption capacity of 116.9 mg/g, with the Langmuir isotherm model providing the best fit (qm = 107.5 mg/g). The selectivity of the adsorbent was evaluated in the presence of various interfering ions, including transition metals and rare earth elements. Furthermore, reusability studies showed that the adsorbent remained highly stable, with only a 0.05% decrease in performance after four adsorption–desorption cycles. Finally, the Yb (III)-imprinted polymer demonstrated a high recovery rate of 97.4 ± 2.5% in synthetic water containing competing transition and rare earth ions, confirming its strong selectivity and reproducibility under competitive conditions.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 9","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148783212","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Bis-Schiff base and its Co(III), Mn(III), Fe(III) complexes for the investigation of bleach oxidation abilities as hydrogen peroxide catalysts Bis-Schiff碱及其Co(III), Mn(III), Fe（III）配合物作为过氧化氢催化剂对漂白剂氧化能力的研究

IF 2.4 4区化学

Journal of the Iranian Chemical Society Pub Date : 2026-08-20 DOI: 10.1007/s13738-026-03592-x

Büşra Gencoglu, Pinar Sen, Necmi Dege, Salih Zeki Yıldız

{"title":"Bis-Schiff base and its Co(III), Mn(III), Fe(III) complexes for the investigation of bleach oxidation abilities as hydrogen peroxide catalysts","authors":"Büşra Gencoglu, Pinar Sen, Necmi Dege, Salih Zeki Yıldız","doi":"10.1007/s13738-026-03592-x","DOIUrl":"10.1007/s13738-026-03592-x","url":null,"abstract":"<div><p>This study presents the preparation of the macrocyclic Schiff base ligand and its metal complexes which were synthesized from the ligand in ethanol using the corresponding transition metal salts, such as CoCl<sub>2</sub>.6H<sub>2</sub>O, MnCl<sub>2</sub>.6H<sub>2</sub>O, FeCl<sub>3</sub> and ZnCl<sub>2</sub> as bimetallic complexes. Synthesized structures were characterized using common spectroscopic techniques. For evaluating of the bleaching performance of the prepared Co(III), Mn(III), Fe(III) complexes, online spectroscopic method was utilized for the oxidation of morin as a natural polyhydroxy phenolic dye. Measurements were carried out in the presence of H<sub>2</sub>O<sub>2</sub>/catalyst combination in a buffer solution at pH 10.5. The bleaching efficiencies of the synthesized compounds were assessed in a comparative manner. The results revealed that the prepared catalysts exhibited superior bleaching performance at 25 °C compared to tetraacetylethylenediamine (TAED), a commercially used bleach activator in powder detergent formulations. The molecular structure of the 5,5’-methylenebis(3-(tert-butyl)-2-hydroxybenzaldehyde as the precursor for the preparation of the Schiff base ligand was also confirmed by single-crystal X-ray diffraction data showing that it crystallized in a monoclinic space group. In addition, a Zn(II) complex was synthesized and characterized as a redox-inactive reference compound to compare the spectroscopic and photophysical properties of the metal complexes.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 9","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148783165","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Synthesis, urease inhibition, molecular docking and molecular dynamic simulation of benzimidazole based thiosemicarbazide analogues 苯并咪唑基硫脲类似物的合成、脲酶抑制、分子对接及分子动力学模拟

IF 2.4 4区化学

Journal of the Iranian Chemical Society Pub Date : 2026-08-18 DOI: 10.1007/s13738-026-03585-w

Raghad Alshaikh, Muhammad Taha, Urooba Khan, Fazal Rahim, Abdul Wadood, Maryam Zulfat, Muhammad Nawaz, Khalid Mohammed Khan, Nizam Uddin, Syed Adnan Ali Shah

{"title":"Synthesis, urease inhibition, molecular docking and molecular dynamic simulation of benzimidazole based thiosemicarbazide analogues","authors":"Raghad Alshaikh, Muhammad Taha, Urooba Khan, Fazal Rahim, Abdul Wadood, Maryam Zulfat, Muhammad Nawaz, Khalid Mohammed Khan, Nizam Uddin, Syed Adnan Ali Shah","doi":"10.1007/s13738-026-03585-w","DOIUrl":"10.1007/s13738-026-03585-w","url":null,"abstract":"<div><p>Benzimidazole based thiosemicarbazide analogues were synthesized and screened for urease inhibitory activity. All the synthesized compounds showed varied inhibition potential with IC<sub>50</sub> value ranging between (2.80 ± 0.10 to 24.30 ± 1.10 <i>µ</i>M) when compared with the standard thiourea (IC<sub>50=</sub> 21.30 ± 0.80 <i>µ</i>M). Among the series compound <b>5</b>,<b> 7</b>,<b> 8</b> and <b>14</b> exhibited remarkable inhibition values with IC<sub>50</sub> values 5.90 ± 0.20, 3.60 ± 0.10, 5.20 ± 0.20 and 2.80 ± 0.10 <i>µ</i>M respectively). Least activity was shown by compound <b>12</b> having IC<sub>50</sub> value 24.30 ± 1.10 <i>µ</i>M due to no substitution on phenyl ring. The structure activity relationship has been established for all the synthesized compounds. The structure of comfpounds was elucidated by different spectroscopic techniques. The binding mode of interaction between compound and enzyme was confirmed by molecular docking study.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 9","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-08-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148752216","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Using an efficient photocatalyst Fe3O4@SiO2@(CH2)3N(CH2COOH)2-Cu (II) for photoinduced electron transfer (PET) reactions leading to tetrahydroquinoline derivatives 利用高效光催化剂Fe3O4@SiO2@(CH2)3N(CH2COOH)2-Cu （II）进行光诱导电子转移（PET）反应，生成四氢喹啉衍生物

IF 2.4 4区化学

Journal of the Iranian Chemical Society Pub Date : 2026-08-17 DOI: 10.1007/s13738-026-03578-9

Atefeh Moshtari-Sarand, Reza Teimouri-Mofrad

{"title":"Using an efficient photocatalyst Fe3O4@SiO2@(CH2)3N(CH2COOH)2-Cu (II) for photoinduced electron transfer (PET) reactions leading to tetrahydroquinoline derivatives","authors":"Atefeh Moshtari-Sarand, Reza Teimouri-Mofrad","doi":"10.1007/s13738-026-03578-9","DOIUrl":"10.1007/s13738-026-03578-9","url":null,"abstract":"<div><p>Harnessing visible light for organic synthesis has garnered significant attention due to its efficiency and eco-friendly nature in producing valuable organic compounds. In this study, a magnetic nano-photocatalyst based on iminodiacetic acid (IDA) was designed and synthesized to facilitate the preparation of tetrahydroquinoline derivatives via a photoinduced electron transfer (PET) mechanism. IDA, serving as both a potent chelating agent and a visible light-sensitizing moiety, was immobilized onto the surface of silica-coated magnetic nanoparticles (Fe<sub>3</sub>O<sub>4</sub>@SiO<sub>2</sub>). This immobilization was achieved using 3-aminopropyltriethoxysilane (APTES) as a coupling agent, which provides terminal amine groups to enhance light absorption. Subsequent complexation yielded the final nano-photocatalyst, designated as Fe<sub>3</sub>O<sub>4</sub>@SiO<sub>2</sub>@(CH<sub>2</sub>)<sub>3</sub>N(CH<sub>2</sub>COOH)<sub>2</sub>-Cu (II). Different characterization techniques confirmed the successful synthesis and structural integrity of the nano-photocatalyst. Morphological analyses revealed that the nanoparticles retained their spherical shape post-functionalization. Under visible-light irradiation, the IDA-modified magnetic silica nanoparticles demonstrated exceptional catalytic activity, enabling the high-yield cyclization of tetrahydroquinoline derivatives with conjugated structures at ambient temperature in air. The IDA moiety plays a pivotal role by acting as a strong chelating ligand for transition metals such as copper, while the magnetic core facilitates easy separation and recovery for repeated use. The initial application of this nano-photocatalyst in tetrahydroquinoline synthesis, coupled with its robust reusability, underscores its significant catalytic efficiency. The resulting tetrahydroquinoline derivatives were thoroughly characterized using FT-IR, CHN elemental analysis, <sup>1</sup>H NMR, and <sup>13</sup>C NMR spectroscopy.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 9","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148752193","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Vanilla and its active constituent vanillin as natural inhibitors of tau and α-synuclein fibril formation 香草及其有效成分香兰素作为tau和α-突触核蛋白纤维形成的天然抑制剂

IF 2.4 4区化学

Journal of the Iranian Chemical Society Pub Date : 2026-08-17 DOI: 10.1007/s13738-026-03574-z

Afrooz Anbaraki, Mohammad Younes Feizollah Shooshtari, Zahra Dindar, Mahzad Irandoust, Mahya Mohammad-Zaheri, Zahra Mousavi-Jarrahi, Ali Akbar Saboury, Arefeh Seyedarabi

{"title":"Vanilla and its active constituent vanillin as natural inhibitors of tau and α-synuclein fibril formation","authors":"Afrooz Anbaraki, Mohammad Younes Feizollah Shooshtari, Zahra Dindar, Mahzad Irandoust, Mahya Mohammad-Zaheri, Zahra Mousavi-Jarrahi, Ali Akbar Saboury, Arefeh Seyedarabi","doi":"10.1007/s13738-026-03574-z","DOIUrl":"10.1007/s13738-026-03574-z","url":null,"abstract":"<div><p>Neurodegenerative disorders such as Alzheimer’s disease (AD) and Parkinson’s disease (PD) are characterized by pathological deposition of tau and α-synuclein proteins, respectively. In this research, we investigated the therapeutic potential of the volatile compounds of vanilla and its primary constituent vanillin on the fibrillation process of tau and α-synuclein. Volatile molecules were introduced as vapour at a natural rate of diffusion, and their effects were evaluated using experimental techniques such as ThT and ANS fluorescence spectroscopies, circular dichroism spectroscopy, atomic force microscopy, gel electrophoresis and MTT assay. The results of this study indicated the promising inhibitory effects of vanilla and vanillin on the formation of tau and α-synuclein fibrillar structures. The inhibitory effects of vanilla and vanillin were accompanied by the formation of intermediate and oligomeric species (linear and granular) with lower toxicity when compared to tau and α-synuclein fibril samples and preserving the native conformation of the proteins to some extent. Notably, vanilla exhibited higher anti-fibrillary properties on α-synuclein compared to tau protein, suggesting greater potential for therapeutic intervention in PD. The superior effects of vanilla over vanillin may be attributed to the presence of additional volatile compounds in vanilla. These findings highlight the potential of vanilla and vanillin alone as neuroprotective agents in the management of AD and PD.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 9","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148752190","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Electronic transport characteristics of (Z)-2-allylidene-4a,8a-dihydronaphthalen-1(2H)-one as a potential optical molecular switch: a DFT–NEGF study 作为潜在光分子开关的(Z)-2-烯丙基烯-4a，8a-二氢萘-1(2H)- 1的电子输运特性：DFT-NEGF研究

IF 2.4 4区化学

Journal of the Iranian Chemical Society Pub Date : 2026-08-17 DOI: 10.1007/s13738-026-03584-x

Sina Shadram, Vahidreza Darugar, Mahmood Akbari

{"title":"Electronic transport characteristics of (Z)-2-allylidene-4a,8a-dihydronaphthalen-1(2H)-one as a potential optical molecular switch: a DFT–NEGF study","authors":"Sina Shadram, Vahidreza Darugar, Mahmood Akbari","doi":"10.1007/s13738-026-03584-x","DOIUrl":"10.1007/s13738-026-03584-x","url":null,"abstract":"<div><p>In this work, the electronic transport characteristics of a photochromic molecular system are investigated using the combined density functional theory (DFT) and nonequilibrium Green’s function (NEGF) formalism. The studied molecule undergoes a reversible photoinduced isomerization between its two forms under ultraviolet or visible light irradiation. A comprehensive analysis is performed of the current–voltage (I–V) characteristics, the electronic transmission spectra T(E), the effect of different electrode materials (Au, Ag, and Pt) on charge transport, the ON/OFF current ratio, and the spatial distributions of the molecular projected self-consistent Hamiltonian (MPSH) orbitals for both isomeric forms. The microscopic origin of the switching behavior is elucidated in terms of structural variations, the energetic positions and spatial delocalization of the frontier molecular orbitals, and changes in the HOMO–LUMO energy gap. The results demonstrate that the transformation from the dark to the colored form induces a pronounced transition from a high-conductance ON state to a low-conductance OFF state. Moreover, substantial variations in the transport properties are observed depending on the metal–molecule contact configuration. These findings highlight the strong structure–transport relationship in diarylethene-based (photochromic) molecular systems and provide valuable guidelines for the design and optimization of next-generation optoelectronic molecular devices.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 9","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s13738-026-03584-x.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148752341","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Engineering NiO/ZnO/Co3O4/MXene nanocomposites via hydrothermal route for next generation supercapacitor 水热法制备下一代超级电容器用NiO/ZnO/Co3O4/MXene纳米复合材料

IF 2.4 4区化学

Journal of the Iranian Chemical Society Pub Date : 2026-08-17 DOI: 10.1007/s13738-026-03575-y

Saqlain Haider, Waqas Ahmad, Muhammad Suleman Ahmad, Hafeez Ur Rehman, Muhammad Ehsan Mazhar, Khizra Waheed, Javed Ahmad, Fatima Nazir, Afaf Khadr Alqorashi, Waseem Abbas

{"title":"Engineering NiO/ZnO/Co3O4/MXene nanocomposites via hydrothermal route for next generation supercapacitor","authors":"Saqlain Haider, Waqas Ahmad, Muhammad Suleman Ahmad, Hafeez Ur Rehman, Muhammad Ehsan Mazhar, Khizra Waheed, Javed Ahmad, Fatima Nazir, Afaf Khadr Alqorashi, Waseem Abbas","doi":"10.1007/s13738-026-03575-y","DOIUrl":"10.1007/s13738-026-03575-y","url":null,"abstract":"<div><p>In this study, a mixed metal oxide nanocomposite of NiO/ZnO/Co<sub>3</sub>O<sub>4</sub> and its MXene based hybrid composite were synthesized via a hydrothermal reaction for electrochemical energy storage applications. X-ray diffraction (XRD) confirmed the formation of crystalline multiphase oxide structure, while Scanning Electron Microscopy (SEM) revealed irregular and non-uniform nanoparticle. Energy-dispersive X-ray spectroscopy (EDS) mapping confirm uniform and homogenous distribution of Ni, Zn, Co and other constitute in nanocomposite. Electrochemical performance was evaluated using galvanostatic charge-discharge (GCD), Electrochemical Impedance Spectroscopy (EIS), and Cyclic Voltammetry (CV). From CV analysis, NiO/ZnO/Co₃O₄ exhibits specific capacitance of 988 Fg⁻¹ within potential window of 0–0.6 V, which further enhance to 1402 F g⁻¹ (0–0.6 V) when hybridized with MXene, proving beneficial impact of MXene in enhancing capacitive behavior. Based on GCD analysis, NiO/ZnO/Co₃O₄/MXene composite yields excellent specific capacitance of 1128.34 Fg<sup>− 1</sup> at 1 Ag<sup>− 1</sup> (0–0.6 V) with maximum cycling stability of 86.57% at 7,000 cycles, thus providing remarkable rate capabilities. EIS findings reveals, decrease in charge-transfer resistance, indicating improves charge-transfer efficiency due to higher electrical conductivity. MXene incorporation, suggests improved electrical conductivity and faster charge-transfer kinetics. These results indicate that the NiO/ZnO/Co₃O₄/MXene hybrid is a promising electrode material for high-performance electrochemical energy storage applications.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 9","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148752191","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Synthesis, characterization and investigation of in vitro cytotoxic potential of some new complexes containing morpholine moiety 含morpholine片段的新型配合物的合成、表征及体外细胞毒性研究

IF 2.4 4区化学

Journal of the Iranian Chemical Society Pub Date : 2026-08-17 DOI: 10.1007/s13738-026-03540-9

Majid Rezaeivala, Hadis Hakimi, Serap Şahin, Ozan Kılıçkaya, Mehdi Bayat, Ehsan Alavipour

{"title":"Synthesis, characterization and investigation of in vitro cytotoxic potential of some new complexes containing morpholine moiety","authors":"Majid Rezaeivala, Hadis Hakimi, Serap Şahin, Ozan Kılıçkaya, Mehdi Bayat, Ehsan Alavipour","doi":"10.1007/s13738-026-03540-9","DOIUrl":"10.1007/s13738-026-03540-9","url":null,"abstract":"<div><p>In this work, a Schiff base ligand, 2-((3-(2-morpholinoethylamino)-N3-((pyridine-2-yl)methyl)propylimino)methyl)pyridine (H-16), was synthesized from the reaction of N1-(3-morpholinopropyl)-N1-((pyridine-2-yl)methyl)ethane-1,2-diamine (H-15) and pyridine-2-carbaldehyde. Its reduced Schiff base ligand, N1-(2-morpholinoethyl)-N1,N3-bis(pyridin-2-ylmethyl)propane-1,3-diamine (H-17), was also prepared. Metal complexes were synthesized by reacting the ligands with metal salts in ethanol, and the resulting products were characterized by elemental analysis, FT-IR, ESI-MS, and ¹H and ¹³C NMR spectroscopy. All synthesized compounds were tested <i>in vitro</i> to evaluate their cytotoxicity against DU-145, HeLa, HT-29, MCF-7, MDA-MB-231, PANC-1, PC-3, and U-87 cancer cells, or non-cancerous cell line (L-929). Cell viability was estimated using the MTT assay. Compounds with Ag<sup>+</sup> and Cd<sup>2+</sup> as central metal ions showed lowest the IC<sub>50</sub> values (< 20 µM), indicating higher cytotoxic activity. These compounds also exhibited higher cytotoxicty than cisplatin against the tested cancer cell lines. It was found that the compounds did not exhibit any cytotoxic activity against HeLa and MCF-7 cancer cells and L-929 non-cancer cells even the highest concentration (20 µM). Among the set of tested compounds with Ag<sup>+</sup> and Cd<sup>2+</sup> ions, the best selectivity index was observed for DU-145, HT-29, MDA-MB-231, PANC-1, PC-3, and U-87 cells (SI > 1.00). The nature of metal–ligand bonding in the complexes were investigated by Natural Bond Orbital analysis, Energy Decomposition Analysis and Energy Decomposition Analysis using Natural Orbitals for Chemical Valence variation.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 9","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148752189","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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