{"title":"Synthesis, crystal structure, spectral, and DFT analysis of 2-(2,3,4-trimethoxyphenyl)-1H-phenanthro[9,10-d]imidazole as charge transport material","authors":"Peter Solo, M. Arockia doss","doi":"10.1007/s13738-024-03111-w","DOIUrl":"10.1007/s13738-024-03111-w","url":null,"abstract":"<div><p>A novel 2-(2,3,4-trimethoxyphenyl)-1H-phenanthro[9,10-d]imidazole crystal has been reported and characterized by FT-IR, <sup>1</sup>H NMR, and <sup>13</sup>C NMR spectral techniques. Single-crystal XRD studies reveal that the compound crystallizes into orthorhombic crystal system with Pbcn space group, and crystallographic data have been deposited in the Cambridge crystallographic data centre with CCDC number: 2244532. Various computational analyses such as hydrogen bond analysis, molecular electrostatic potential analysis, natural population analysis, Hirshfeld surface, and Frontier molecular orbital analysis were performed to elucidate the structure of the crystal. The calculation of reorganization energy and coupling constant using DFT methods reveals that the compound could be investigated as a hole transport material.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"21 12","pages":"2907 - 2922"},"PeriodicalIF":2.2,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142645611","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}
Prabhakaran Mathiyalagan, Stephen Alocius, Atul Jadhav
{"title":"A modified approach for the determination of sulfate in cosmetics and personal care products by UV–Vis spectroscopy using response surface methodology","authors":"Prabhakaran Mathiyalagan, Stephen Alocius, Atul Jadhav","doi":"10.1007/s13738-024-03127-2","DOIUrl":"10.1007/s13738-024-03127-2","url":null,"abstract":"<div><p>In recent years, “sulfate-free” products have become increasingly common for most cosmetics and personal care products. With a boom in the number of sulfate-free claims, an analytical method for determining sulfate is certainly needed. Analysis of sulfate in cosmetic products can be difficult due to matrix interference and the complex nature of the ingredients used in the formulation. A simple and novel modified method for the determination of sulfate was developed by using UV–Vis spectroscopy. The procedure involved the precipitation of sulfate as barium sulfate and the removal of interference under controlled conditions, using different reagents such as acid, glycerol and ethanol. The method was optimized for the best conditions using response surface methodology. According to the experimental design, nitric acid and glycerol at 2% concentration yielded the maximum absorbance and the optimized method was validated in terms of linearity, accuracy, precision, limit of detection and limit of quantification. Fifteen market samples belonging to the shampoo and conditioner product types were analyzed to evaluate the performance of the optimized method. The results obtained were found to be satisfactory, and the proposed method is linear (R<sup>2</sup>—0.9971), accurate (89 to 92%), precise (%RSD < 4) and robust (% deviation < 5) with limit of detection (4.2 mg/l), limit of quantification (12.59 mg/l) and can be employed for the analysis of sulfate in cosmetics and personal care products.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"21 12","pages":"3001 - 3011"},"PeriodicalIF":2.2,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142645612","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}
{"title":"Vitamin-catalyzed organic transformations: a green synthetic tool inspired by nature","authors":"Sanjay Paul","doi":"10.1007/s13738-024-03124-5","DOIUrl":"10.1007/s13738-024-03124-5","url":null,"abstract":"<div><p>Vitamins are not only essential for normal cell function but also important in organic transformations, specifically in the field of organocatalysis. Due to the increasing importance of sustainable and ecofriendly organic reaction protocols, there has been growing attention in organocatalysis owing to easy access, biocompatibility, and excellent reactivity. As vitamins are environmentally benign, nontoxic, and economic organocatalyst, VB<sub>1</sub>, VB<sub>2</sub>, and VB<sub>12</sub> have been employed successfully in variety of organic transformations. The catalysts exhibited very high efficacy in various C–C bond-forming reactions from multicomponent reaction to cross-coupling reactions. This review concisely demonstrates catalytic performance of natural organocatalyst VB<sub>1</sub>, VB<sub>2</sub>, and VB<sub>12</sub> and also provides basic knowledge about this important synthetic tool for the preparation of organic compounds in a greener manner. The review explores the versatile application of vitamins where vitamins acted as the principal catalyst (Lewis acidic catalyst, photocatalyst), co-catalyst, organometallic catalyst, and ligand of metal ion catalysts. Utilization of vitamin-functionalized nanocatalysts in cross-coupling, A<sup>3</sup>-coupling, oxidation reaction, etc. has been demonstrated thoroughly. Additionally, the mechanistic details illuminating the roles of vitamins in important organic transformations are meticulously explained, providing insights into reaction pathways and empowering the described organcatalysis approaches.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"21 12","pages":"2887 - 2906"},"PeriodicalIF":2.2,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142645705","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}
Zahra Aslanabadi, Mohammad Reza Afshar Mogaddam, Faranak Ghaderi, Elnaz Marzi Khosrowshahi, Aysa Abasalizadeh, Mir Ali Farajzadeh, Mahboob Nemati
{"title":"Surfactant-modified carbon nano-onion-β-cyclodextrin nanocomposite as an efficient sorbent in dispersive solid phase extraction of metoprolol and atenolol from plasma samples prior to HPLC–PDA analysis","authors":"Zahra Aslanabadi, Mohammad Reza Afshar Mogaddam, Faranak Ghaderi, Elnaz Marzi Khosrowshahi, Aysa Abasalizadeh, Mir Ali Farajzadeh, Mahboob Nemati","doi":"10.1007/s13738-024-03107-6","DOIUrl":"10.1007/s13738-024-03107-6","url":null,"abstract":"<div><p>In the present study, a modified carbon nano-onion and β–cyclodextrin composite was utilized in micro-solid phase extraction of atenolol and metoprolol from human plasma samples. The synthesized sorbent structure and morphology were evaluated. In this method, a proper amount of the sorbent was contacted with the diluted plasma sample under vortexing (to promote the sorbent contact area with the solution). The separated particles by centrifugation were contacted with a proper eluent to desorb the target analytes. After that, the eluent was separated by centrifugation and used during analysis of the analytes by high-performance liquid chromatograph. Several effective extraction parameters such as the sorbent amount, type and elution solvent volume, and extraction time were evaluated and optimized. The validated factors showed that detection and quantification were 0.09 and 0.01 and 0.29 and 0.03 ng mL<sup>–1</sup>, for metoprolol and atenolol, respectively. The method precision, considered as relative standard deviation, was ≤ 2.5 and ≤ 3.6% for intra- (<i>n</i> = 5) and inter-day (<i>n</i> = 4) precisions, respectively. The extraction recovery values were obtained 84 and 63% for metoprolol and atenolol, respectively. Lastly, the developed method was utilized successfully on the plasma samples of patients treated with metoprolol and atenolol.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"21 11","pages":"2767 - 2774"},"PeriodicalIF":2.2,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142579539","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}
Ahmet Oral Sarıoğlu, Hatice Gamze Sogukomerogullari, Ayşegül Köse, Senem Akkoc, Mehmet Sönmez, Mehmet Hakan Morcalı
{"title":"Novel Eu(III) and Tb(III) complexes bearing carboxamide ligand: antiproliferative activity, photoluminescence properties, and thermogravimetric studies","authors":"Ahmet Oral Sarıoğlu, Hatice Gamze Sogukomerogullari, Ayşegül Köse, Senem Akkoc, Mehmet Sönmez, Mehmet Hakan Morcalı","doi":"10.1007/s13738-024-03112-9","DOIUrl":"10.1007/s13738-024-03112-9","url":null,"abstract":"<div><p>In this study, β-diketone derivative new carboxamide Eu(III) and Tb(III) lanthanide complexes were synthesized and characterized by FT-IR, elemental analysis, UV–Vis, and molar conductivity techniques. There is no electrolytic conductivity in the compounds. Moreover, the photoluminescence properties and thermal behavior of the synthesized lanthanide complexes were investigated. Photoluminescence data revealed that the Tb(III) complex showed metal-based f-f transitions. The β-diketone derivative carboxamide ligand exhibited as antenna that transmitted the excited energy to the emission energy levels of the Tb(III) ion. These metal complexes were screened in two different common cancer cell lines and a human normal embryonic kidney cell line for 48 h. The results showed that these complexes have more antiproliferative activities in the colon cancer cell line compared to the lung cancer cell line.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"21 12","pages":"2923 - 2931"},"PeriodicalIF":2.2,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142645702","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}
{"title":"Electrocatalytic reduction of nitrate using Mg(OH)2 copper modified electrode","authors":"Nadia Ait Ahmed, Katia Hebbache, Samia Kerakra, Nabila Aliouane, Marielle Eyraud","doi":"10.1007/s13738-024-03115-6","DOIUrl":"10.1007/s13738-024-03115-6","url":null,"abstract":"<div><p>In order to improve the activity of copper (Cu) towards electrolytic reduction of nitrate, thin films of magnesium hydroxide (Mg(OH)<sub>2</sub>) were deposited on Cu substrate. For the first time, these films were synthesized by electrochemical deposition in a potassium sulfate bath containing Mg<sup>2+</sup> at 70 °C. The effect of various experimental parameters, such as deposition time and potential, on the electrocatalytic activity for the nitrate reduction was investigated. Surface analysis techniques (SEM, EDX and XRD) were used to get information on the morphology, the composition and the structure of the deposits. The activity of the modified electrode was studied by cyclic voltammetry, and amperometric method. The modified Mg(OH)<sub>2</sub>/Cu sensor exhibited a good electrocatalytic behavior towards the reduction of nitrates with high reproducible reduction peak currents. In addition, the sensor exhibits a linear answer for concentration in nitrate between 0.125 to 7 mM, combined with high sensitivity (24.6 µA mM<sup>−1</sup> cm<sup>−2</sup>) and limit of detection (225.35 µM) values. When common interfering molecules were added to the solution, Mg(OH)<sub>2</sub>/Cu electrodes have kept their good selectivity. They demonstrated acceptable detection levels for nitrates in tap water.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"21 11","pages":"2829 - 2840"},"PeriodicalIF":2.2,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142579486","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}
{"title":"Catalyst-free one-pot three-component synthesis and in silico bioactivity of new 4-pyrazolyl pyrano[3,4-c] pyrrole derivatives","authors":"Brahim Cherfaoui, Houria Lakhdari, Norah Bennamane, Hocine Merazig, Ahmed Djafri, Abdelghani Bouchama, Bellara Nedjar-Kolli","doi":"10.1007/s13738-024-03125-4","DOIUrl":"10.1007/s13738-024-03125-4","url":null,"abstract":"<div><p>An unexpected route for the synthesis of pyrano [3,4-<i>c</i>] pyrrole derivatives has been reported via catalyst-free, three-component reaction of 1,3-dicarbonyl pyrazole, aromatic primary amines and fumaryl chloride. This novel cascade reaction sequence led to create two new rings and four new <i>σ</i> bonds containing two C–N, one C–C, and one C–O bond. The newly synthesized compounds were elucidated on the basis of their spectroscopic data (<sup>1</sup>H, <sup>13</sup>C, 2D NMR, HRMS, IR) and additionally confirmed by single-crystal X-ray diffraction analysis. The molecular docking simulation was performed utilizing the AutoDock 4.2 program to predict the binding affinity of one derivative of the synthesized compounds to the target mitogen-activated protein kinase P38 (MAPK P38) and mitogen-activated protein kinase 14 (MAPK 14).</p><h3>Graphical abstract</h3>\u0000<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":"21 12","pages":"2975 - 2982"},"PeriodicalIF":2.2,"publicationDate":"2024-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142645668","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}
{"title":"Direct oxidative esterification of benzaldehydes and benzylalcohols using task-specific imidazolium based perchlorate ionic liquid","authors":"Hassan Valizadeh, Mina Ahmadi","doi":"10.1007/s13738-024-03121-8","DOIUrl":"10.1007/s13738-024-03121-8","url":null,"abstract":"<div><p>Imidazolium perchlorate task-specific ionic liquids (TSILs) were used for in-situ oxidation esterification of benzaldehydes and benzylalcohols in reaction with alcohols. CO<sub>2</sub>H functional group containing TSIL show dual role as catalyst and reaction media toward oxidative esterifications. Excellent yields of esters could be obtained for a series of benzaldehydes and benzylalcohols via the reaction with alcohols. This reaction can be regarded as a new method for the efficient oxidation esterification of benzaldehydes and benzylalcohols under mild catalyst and solvent-free conditions.</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":"21 12","pages":"2955 - 2959"},"PeriodicalIF":2.2,"publicationDate":"2024-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142645669","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}
Lin-Lin Ma, Ke-Xin Xu, Bao-Lin Xiao, Sanad Abdalbage Mohammed Abdalsadeg, Yu-Jie Chen, Yu-Ying Li, Jun Hong, Ali Akbar Moosavi-Movahedi
{"title":"An electrochemical sensor based on NH2-MWCNTS-CMC and ZIF-67 peroxidase-like nanocomposite for sensitive luteolin detection","authors":"Lin-Lin Ma, Ke-Xin Xu, Bao-Lin Xiao, Sanad Abdalbage Mohammed Abdalsadeg, Yu-Jie Chen, Yu-Ying Li, Jun Hong, Ali Akbar Moosavi-Movahedi","doi":"10.1007/s13738-024-03122-7","DOIUrl":"10.1007/s13738-024-03122-7","url":null,"abstract":"<div><p>Luteolin (Lut) is a flavonoid compound with antioxidant, anti-inflammatory and other biological properties. Lut has been used in many fields such as biomedicine and food safety. Therefore, the quantitative measurement of Lut is of great significance. In this study, an electrochemical sensor based on aminated multi-walled carbon (NH<sub>2</sub>-MWCNTs), sodium carboxymethylcellulose (CMC), ZIF-67 and chitosan (Chi) is developed for the measurement of Lut. NH<sub>2</sub>-MWCNTs are better dispersed by CMC, and NH<sub>2</sub>-MWCNTs are cross-linked with ZIF-67, which further improves the response and sensitivity of the electrode to the Lut due to the peroxide-like properties of ZIF-67. The detection limit and linear range of the electrochemical sensor for Lut are 2.1 nM and 0.1–7 μM, respectively. Dandelion is a traditional Chinese medicine plant containing Lut component. The prepared electrochemical sensor is also used to analysis Lut content in various parts of dandelion. The results show that the flowers part of dandelion exhibits the highest concentration of Lut; while, the leaves contain a moderate amount, and the roots are nearly devoid of Lut. These results are consistent with those obtained by ultra-high performance liquid chromatography. The electrochemical sensor has good stability and anti-interference ability, and has good potential application value in drug concentration detection and screening.</p><h3>Graphical Abstract</h3>\u0000<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":"21 11","pages":"2873 - 2886"},"PeriodicalIF":2.2,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142579567","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}
{"title":"Core shell ZnO-MnO2 nanocomposites for dye degradation and DFT simulation","authors":"F. Joudi, W. Selmi, J. Ben Naceur, R. Chtourou","doi":"10.1007/s13738-024-03118-3","DOIUrl":"10.1007/s13738-024-03118-3","url":null,"abstract":"<div><p>To enhance the photogeneration and separation of charge carriers, ZnO/MnO<sub>2</sub> nanocomposites were efficiently synthesized using a simple hydrothermal process and tested as photocatalyst for dye degradation. The samples of ZnO, MnO<sub>2</sub>, and ZnO/MnO<sub>2</sub> nanocomposites were investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM), UV–vis diffuse reflection spectroscopy, and photoluminescence spectra (PL). The photocatalytic activity of the ZnO/MnO<sub>2</sub> prepared using 10 mg was significantly higher than that of ZnO or MnO<sub>2</sub>, as demonstrated by optical and photoluminescence measurements. In fact, the degradation efficiency of methyl orange (MO) with ZnO/MnO<sub>2</sub> (10 mg) reaching to 98% after 2 h of sunlight irradiation. The enhanced degradation of MO compared with pure ZnO and MnO<sub>2</sub> can be attributed to the high surface area, efficient sunlight absorption, and excellent charge carrier separation of the ZnO/MnO<sub>2</sub> photocatalyst. Density functional theory (DFT) simulations of ZnO and MnO<sub>2</sub> further revealed the electronic origins of the structural properties, showing that the photocatalytic activity is due to the electron transitions between the valence and conduction bands of materials.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"21 11","pages":"2851 - 2861"},"PeriodicalIF":2.2,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142579566","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}