Journal of the Indian Chemical Society最新文献_第8页

Evaluation of the efficiency of reactive extraction of malic acid using TPA or TOPO in imidazolium-based ionic liquid or conventional solvents 评价TPA或TOPO在咪唑基离子液体和常规溶剂中萃取苹果酸的效率

IF 3.2 4区化学

Journal of the Indian Chemical Society Pub Date : 2025-03-24 DOI: 10.1016/j.jics.2025.101682

Hilal Mete Günaydin , Melisa Lalikoglu , Yavuz Selim Aşçı

{"title":"Evaluation of the efficiency of reactive extraction of malic acid using TPA or TOPO in imidazolium-based ionic liquid or conventional solvents","authors":"Hilal Mete Günaydin , Melisa Lalikoglu , Yavuz Selim Aşçı","doi":"10.1016/j.jics.2025.101682","DOIUrl":"10.1016/j.jics.2025.101682","url":null,"abstract":"<div><div>Malic acid (H<sub>2</sub>mA), which is one of the dicarboxylic acids, plays a vital role in the food industry. In this extraction study, the separation of malic acid from its aqueous medium using an effective solvent-extractant mixture was investigated. This article aims to emphasize the efficacy of ionic liquids (IL), which are green solvents especially 1-butyl-3-methylimidazolium hexafluorophosphate (BMIM-PF<sub>6</sub>) against conventional solvents. Some of these solvents are methyl isobutyl ketone (MIBK), toluene, cyclohexyl acetate (CHA), 1-decanol, dimethyl phthalate (DMP). Tri-n-propylamine (TPA) and tri-n-octylphosphine oxide (TOPO) were used as extractants in the experiments. The distribution coefficient (D), extraction efficiency (E%), and loading factor (Z) were calculated. In the physical extraction experiments, the extraction efficiency was observed to be in the range of 43.30–47.67 %. The reactive extraction results showed that high extraction efficiency was obtained with organic phases prepared with TPA and diluent. The extraction efficiency reached around 99 % at a TPA concentration of 1.78 mol.L<sup>−1</sup> in MIBK. Although the results with conventional solvents and BMIM-PF<sub>6</sub> are close to each other, it can be stated that the high regeneration capacity and low volatility of ionic liquids may be the reason for preference compared to conventional solvents.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 5","pages":"Article 101682"},"PeriodicalIF":3.2,"publicationDate":"2025-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143696753","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

Investigating the electrochemical properties of g-C3N4/NiO nanocomposites for energy storage applications 研究储能用g-C3N4/NiO纳米复合材料的电化学性能

IF 3.2 4区化学

Journal of the Indian Chemical Society Pub Date : 2025-03-22 DOI: 10.1016/j.jics.2025.101676

S. Praveen , M. Sindhuja , K. Sankaranarayanan

引用次数: 0

Synthesis, characterization, DFT, HOMO-LUMO, MEP analysis, and in-silico docking studies of piperidine derivatives 哌啶衍生物的合成、表征、DFT、HOMO-LUMO、MEP分析和硅对接研究

IF 3.2 4区化学

Journal of the Indian Chemical Society Pub Date : 2025-03-22 DOI: 10.1016/j.jics.2025.101679

Vajiha Banu H , R. Arulnangai , Banu Karthi G , Asia Thabassoom H , K. Thirugnanasambandham , R. Ganesamoorthy

{"title":"Synthesis, characterization, DFT, HOMO-LUMO, MEP analysis, and in-silico docking studies of piperidine derivatives","authors":"Vajiha Banu H , R. Arulnangai , Banu Karthi G , Asia Thabassoom H , K. Thirugnanasambandham , R. Ganesamoorthy","doi":"10.1016/j.jics.2025.101679","DOIUrl":"10.1016/j.jics.2025.101679","url":null,"abstract":"<div><div>An eco-friendly and efficient approach for synthesizing N-(4-chlorophenyl)-2,6-bis(4-hydroxyphenyl)-4-oxopiperidine-3-carboxamide involves the condensation of 4-chloroacetoacetanilide with 4-hydroxybenzaldehyde, utilizing ammonium formate as a catalyst. This method not only improves reaction efficiency but also reduces environmental impact by employing a safer catalyst. The structure of the resulting compound was extensively characterized through various spectral techniques. Fourier Transform Infrared (IR) spectroscopy identified key functional groups via distinct absorption bands, while both <sup>1</sup>H and <sup>13</sup>C NMR spectroscopy provided comprehensive details about the hydrogen and carbon environments, confirming the molecular structure and positions of substituents. Elemental analysis further ensured the compound's purity and composition. Density functional theory (DFT) simulations were performed to study its electronic characteristics and reactivity. DFT calculations provide information about molecular shape, electronic distribution, and stability. Additionally, molecular docking studies assessed the compound's potential interactions with biological targets, highlighting its binding affinity and possible therapeutic uses.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 5","pages":"Article 101679"},"PeriodicalIF":3.2,"publicationDate":"2025-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143737767","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 and spectroscopic investigation of 6-amino-5-(2-hydroxy-5-substituephenylazoyl)uracil dyes 6-氨基-5-（2-羟基-5-取代苯甲酰基）尿嘧啶染料的合成及光谱研究

IF 3.2 4区化学

Journal of the Indian Chemical Society Pub Date : 2025-03-22 DOI: 10.1016/j.jics.2025.101677

Fatih Eyduran, Yeşim Yanar Atal

引用次数: 0

Phase behavior prediction model and enthalpy analysis of carbon dioxide/propane gas hydrate formation in salts water 含盐水中二氧化碳/丙烷水合物形成相行为预测模型及焓分析

IF 3.2 4区化学

Journal of the Indian Chemical Society Pub Date : 2025-03-22 DOI: 10.1016/j.jics.2025.101672

Iqbal Ahmed Moujdin , Jai Krishna Sahith Sayani PhD , Muhammad Saad Khan , Hani A. Abulkhair PhD , Fahad Althaaly , Husam Saber Totah , Omar Bamaga , Bhajan Lal

{"title":"Phase behavior prediction model and enthalpy analysis of carbon dioxide/propane gas hydrate formation in salts water","authors":"Iqbal Ahmed Moujdin , Jai Krishna Sahith Sayani PhD , Muhammad Saad Khan , Hani A. Abulkhair PhD , Fahad Althaaly , Husam Saber Totah , Omar Bamaga , Bhajan Lal","doi":"10.1016/j.jics.2025.101672","DOIUrl":"10.1016/j.jics.2025.101672","url":null,"abstract":"<div><div>Gas hydrate-based desalination (GHBD) has emerged as an innovative solution for addressing global water scarcity by utilizing hydrate formation to separate water from saline solutions. This study presents a comprehensive thermodynamic model for predicting hydrate equilibrium conditions in saline systems, particularly under high salinity and mixed gas compositions. The model incorporates salt-specific corrections to account for reduced water activity and salting-out effects, which are critical in systems containing NaCl, KCl, and CaCl<sub>2</sub> at concentrations up to 5 wt%. It is validated against experimental data, focusing on gas mixtures with propane (C<sub>3</sub>H<sub>8</sub>) proportions ranging from 5 to 15 mol%. Comparative analysis reveals that the proposed model outperforms conventional equations of state, such as Peng-Robinson (PR) and Soave-Redlich-Kwong (SRK), achieving a mean absolute deviation below 8 % even in challenging scenarios. The findings highlight the significant influence of salt type and concentration on hydrate stability, with NaCl exhibiting the strongest inhibitory effect. The developed model offers enhanced accuracy and reliability for designing GHBD systems in diverse environmental and operational conditions, paving the way for its integration into sustainable water desalination technologies.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 5","pages":"Article 101672"},"PeriodicalIF":3.2,"publicationDate":"2025-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143738393","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

One-pot synthesis and characterization of spirooxindole-3,4'-pyran derivatives via FeCl3-Catalyzed multicomponent reaction: A facile approach with high yields and eco-friendly methodology fecl3催化多组分反应一锅合成3,4′-吡喃螺菌吲哚衍生物及表征：一种高效、环保的简易方法

IF 3.2 4区化学

Journal of the Indian Chemical Society Pub Date : 2025-03-21 DOI: 10.1016/j.jics.2025.101673

Sathyabama balaji , Thirugnanasambandham K , Muthu Senthil Pandian , Ramasamy Ganesamoorthy

引用次数: 0

Quantum chemical computational insights into interaction of Gold (III) complex nanoparticles with piperazine derivative compound - prediction of biological sensing activities 金（III）复合纳米颗粒与哌嗪衍生物相互作用的量子化学计算见解-生物传感活性的预测

IF 3.2 4区化学

Journal of the Indian Chemical Society Pub Date : 2025-03-20 DOI: 10.1016/j.jics.2025.101671

S. Kumaran , S. Sakthivel , R. Rajesh , Saleem Javed , V. Vetrivelan

{"title":"Quantum chemical computational insights into interaction of Gold (III) complex nanoparticles with piperazine derivative compound - prediction of biological sensing activities","authors":"S. Kumaran , S. Sakthivel , R. Rajesh , Saleem Javed , V. Vetrivelan","doi":"10.1016/j.jics.2025.101671","DOIUrl":"10.1016/j.jics.2025.101671","url":null,"abstract":"<div><div>This study examines how a 1-boc-4-(4-hydroxy-phenyl)-piperazine (1B4HPP) interacts with Gold (III) complex nanoparticles (AuCl<sub>3</sub>) in order to determine how well they work for drug delivery and sensing purposes. Through adsorption procedures, the usage of Gold (III) complex nanoparticles modifies the energy levels of frontier molecular orbitals (FMO), which eventually improves drug delivery systems. Theoretical UV–vis. studies show that absorption peak of 1B4HPP@AuCl<sub>3</sub> is seen at 807 nm with the oscillator strength of 0.008, where major orbital contributions come from H-3- > LUMO (66 %) in gas phase whereas in water phase observed at 859 nm with the oscillator strength of 0.375, where major orbital contributions come from HOMO- > LUMO (89 %). In the complex form the range of molecular electrostatic potential (MEP) values are in the range of −6.039 x 10<sup>-2</sup> (a.u.) to 6.039 x 10<sup>-2</sup> (a.u.) and – 0.114 (a.u.) to 0.114 (a.u.) in gas and water phase respectively. Non-linear optical (NLO) studies have been carried out on the molecule and its complex, and noticed that first order hyper polarizability value of complex is 2.13 × 10<sup>−28</sup> esu in gas phase whereas 2.28 × 10<sup>−28</sup> esu in water phases, respectively. Different kinds of intermolecular interactions, including H (hydrogen) bonds, van-der Waals forces, and repulsive steric effects, have been identified through the non-covalent interaction (NCI) inquiry. The investigation of the compound's bioactivity and drug-likeness properties is another important component of the study. In the future, it is expected that the application of molecular docking techniques would be essential for assessing the interaction energies related to drug delivery procedures.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 5","pages":"Article 101671"},"PeriodicalIF":3.2,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143704764","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

Identification of high-affinity molecules from Sesbania grandiflora as potential therapeutic agents for oral ulcers- A multi-target-directed in silico approach 大田菁高亲和力分子作为口腔溃疡潜在治疗剂的鉴定——多靶点定向的计算机方法

IF 3.2 4区化学

Journal of the Indian Chemical Society Pub Date : 2025-03-19 DOI: 10.1016/j.jics.2025.101674

Anuroopa G. Nadh , Amjesh R , Mukhtar Ahmed , Manoj Kumar T.K , Sudhakaran P.R , Rajesh Raju

{"title":"Identification of high-affinity molecules from Sesbania grandiflora as potential therapeutic agents for oral ulcers- A multi-target-directed in silico approach","authors":"Anuroopa G. Nadh , Amjesh R , Mukhtar Ahmed , Manoj Kumar T.K , Sudhakaran P.R , Rajesh Raju","doi":"10.1016/j.jics.2025.101674","DOIUrl":"10.1016/j.jics.2025.101674","url":null,"abstract":"<div><div>Oral ulcer, a multi-factorial ailment affecting the oral mucosa, characterized by epithelial necrosis, is the most prevalent condition among oral mucosal diseases globally. Given the polygenic etiology, the existing treatment methods primarily focus on symptomatic relief, and adverse clinical conditions are reported on long-term usage. Given the distinct benefits of natural products against multiple disease targets, the present study aimed to analyze the potential of phytochemicals of <em>Sesbania grandiflora</em> against oral ulcer targets, considering its traditional usage and scientific evidence for wound healing. Computer-based predictive analysis showed that, out of 74 screened compounds, 17 compounds bind to multiple targets of oral ulcer with high affinity. Among these, the compounds Sonchuionoside A, and 2-Acetylflexuosin A, mediated favorable interaction with selected targets by satisfying the pharmacological parameters. Based on the docking results, the target ITGA4 was selected further to estimate the binding stability of these compounds using molecular dynamics and binding free energy calculations, where the obtained outputs were in good agreement with the docking results. These findings highlight the therapeutic potential of <em>Sesbania grandiflora</em> phytochemicals in oral ulcer management, offering a computational foundation for experimental validation.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 5","pages":"Article 101674"},"PeriodicalIF":3.2,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143684225","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

Effect of lanthanum doping on barium hexaferrites: Structural and magnetic properties via sol-gel synthesis using galactose 镧掺杂对钡六铁氧体的影响：半乳糖溶胶-凝胶合成的结构和磁性能

IF 3.2 4区化学

Journal of the Indian Chemical Society Pub Date : 2025-03-18 DOI: 10.1016/j.jics.2025.101675

K. Chellammal , S. Jesurani , Kanagesan Samikannu , A. Maria Therese , M. Easwari , J. Wilson

{"title":"Effect of lanthanum doping on barium hexaferrites: Structural and magnetic properties via sol-gel synthesis using galactose","authors":"K. Chellammal , S. Jesurani , Kanagesan Samikannu , A. Maria Therese , M. Easwari , J. Wilson","doi":"10.1016/j.jics.2025.101675","DOIUrl":"10.1016/j.jics.2025.101675","url":null,"abstract":"<div><div>The structural and magnetic properties of barium hexaferrite was investigated by the effect of Lanthanum (La) doping by sol-gel method with varying concentrations (x = 0.00, 0.01, 0.02, 0.03, 0.04, 0.05), in which the resulting BHFs calcined at 800 °C for 2 h to achieve the new phase formation. The galactose green precursor in sol-gel route is an ecofriendly technique, which prevents agglomeration and well controlled dispersion of BHF NPs. Very importantly, this approach reduces the calcination temperature. Also, controlled morphology, particle size and also this method is low cost suitable for large scale production. The XRD analysis confirmed the successful formation of M-type hexaferrite phase, with crystalline size ranged 16–24.8 nm with an average size of 18.36 nm. Fourier-transform infrared (FTIR) spectroscopy identified the characteristic absorption bands between 430 and 590 cm<sup>−1</sup>, corresponding to metal-oxide stretching and bending vibrations further validating the phase formation. The magnetic measurements at room temperature revealed a crucial trend: the coercivity (Hc) decreased gradually with increasing La concentration, while saturation magnetization (Ms) and remanent magnetization (Mr) showed only slight variations which indicates a transition towards a soft magnetic nature. To get insight into BHF nanoparticles the morphology and elemental distribution, field-emission scanning electron microscopy (FE-SEM) and energy-dispersive X-ray spectroscopy (EDAX) analysis was performed. The ability to modify the magnetic properties through controlled La doped BHF highlights its potential for next generation magnetic and electronic technologies.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 5","pages":"Article 101675"},"PeriodicalIF":3.2,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143684222","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

Comparative evaluation of Pluronic® micelles encapsulation efficiency for a diverse range of hydrophobic drugs: Implications for drug delivery Pluronic®胶束包封效率对多种疏水药物的比较评价：对药物传递的影响

IF 3.2 4区化学

Journal of the Indian Chemical Society Pub Date : 2025-03-14 DOI: 10.1016/j.jics.2025.101670

Sunil Desai , Deep Bhalani , Dhruv Jasoliya , Vinaydeep Punetha , Shital D. Modi , Debes Ray , Vinod K. Aswal , Sadafara A. Pillai

{"title":"Comparative evaluation of Pluronic® micelles encapsulation efficiency for a diverse range of hydrophobic drugs: Implications for drug delivery","authors":"Sunil Desai , Deep Bhalani , Dhruv Jasoliya , Vinaydeep Punetha , Shital D. Modi , Debes Ray , Vinod K. Aswal , Sadafara A. Pillai","doi":"10.1016/j.jics.2025.101670","DOIUrl":"10.1016/j.jics.2025.101670","url":null,"abstract":"<div><div>The encapsulation of hydrophobic drugs within micellar carriers is a promising approach to improve their solubility, stability, and bioavailability. In this study, we conduct a thorough comparative analysis of the encapsulation capability of Pluronic® 103 micelle, known for its unique amphiphilic nature, which serves as nano-carriers for three hydrophobic drugs, viz. meloxicam, norfloxacin, and flurbiprofen. These drugs were chosen for their varying chemical structures and physicochemical properties. The interaction of these drugs with polymeric micelles was checked using Fourier transform infrared spectroscopy (FT-IR). Further, the study investigates the influence of salt on the micellar size and drug-loading efficiency of Pluronic® micelles for different drugs using a plethora of techniques such as dynamic light scattering (DLS), small angle neutron scattering (SANS), and high-performance liquid chromatography. Our results indicate that the presence of salt promotes micellization and significant differences in encapsulation efficiency among the drugs were noted, attributed to the interplay between the drug's hydrophobicity and the micellar core's compatibility. Further, the experimental findings revealed that Norfloxacin exhibited the highest encapsulation efficiency, while meloxicam showed the minimum. The outcomes of the study provide valuable insights into the drug-specific encapsulation behavior of Pluronic® micelles, offering guidance for the design of micellar drug delivery systems tailored to specific therapeutic agents.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 5","pages":"Article 101670"},"PeriodicalIF":3.2,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143643284","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