Journal of the Indian Chemical Society最新文献

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Spectrophotometric trace determination of Ce(IV) with 6-Chloro-3-hydroxy-7-methyl-2-(2′-thienyl)-4-oxo-4H-benzopyran as an analytical reagent along with DFT and antibacterial activity
IF 3.2 4区 化学
Journal of the Indian Chemical Society Pub Date : 2025-02-01 DOI: 10.1016/j.jics.2024.101534
Kusum, Amita Garg
{"title":"Spectrophotometric trace determination of Ce(IV) with 6-Chloro-3-hydroxy-7-methyl-2-(2′-thienyl)-4-oxo-4H-benzopyran as an analytical reagent along with DFT and antibacterial activity","authors":"Kusum,&nbsp;Amita Garg","doi":"10.1016/j.jics.2024.101534","DOIUrl":"10.1016/j.jics.2024.101534","url":null,"abstract":"<div><div>Spectrophotometric trace determination of Ce(IV) was established with 6-Chloro-3-hydroxy-7-methyl-2-(2′-thienyl)-4-oxo-<em>4H</em>-benzopyran(CHMTB) (0.1%w/v in C<sub>2</sub>H<sub>5</sub>OH) based on its ability to form a complex of pale yellow color in presence of 0.2 M H<sub>2</sub>SO<sub>4</sub> (pH 4.56) with stoichiometry of 2:1 (L:M) between Ce(IV) and CHMTB at <em>λ</em> <sub>max</sub> 445 nm. Several physical factors like reagent concentration, acid concentration, time of complex formation and pH were thoroughly examined for trace level detection of cerium(IV). Beer’s law absorbance is linearly related to the Ce(IV) concentration up to 1.8 μg/ml with a correlation coefficient of 1.232. Molar absorptivity coefficient was 8.45 × 10<sup>4</sup> l/mol/cm, relative standard deviation was 0.2424 %, Sandell’s sensitivity was 0.00165 μg/cm and detection limit was 0.2742 μg/ml. The DFT/B3LYP/6-31G(d,p) method is a commonly used computational approach used for studying molecular properties and to calculate energy gaps for complex and ligand which are found to be 2.0899eV and 3.7652eV respectively in the present study. The above-mentioned complex showed significant antibacterial activity. The present method was easy, selective, sensitive, accurate and showing stability for 48 h.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 2","pages":"Article 101534"},"PeriodicalIF":3.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140728","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
Process study and performance determination of calcium hydroxyphosphate prepared from nickel plating waste solution
IF 3.2 4区 化学
Journal of the Indian Chemical Society Pub Date : 2025-02-01 DOI: 10.1016/j.jics.2025.101571
Yiming Zhang, Xiaojie Yang, Xuetian Li, Zhongcai Shao
{"title":"Process study and performance determination of calcium hydroxyphosphate prepared from nickel plating waste solution","authors":"Yiming Zhang,&nbsp;Xiaojie Yang,&nbsp;Xuetian Li,&nbsp;Zhongcai Shao","doi":"10.1016/j.jics.2025.101571","DOIUrl":"10.1016/j.jics.2025.101571","url":null,"abstract":"<div><div>In this project, the biological properties of calcium hydroxyphosphate are recovered from the chemical nickel plating waste liquid from the point of view of environmental protection, and from the economic point of view. The approach holds significant importance in terms of environmental preservation and resource conservation. The recovered products were subjected to analysis using XRD, FT-IR, and SEM-EDS techniques. Phosphorus present in the waste solution was treated through chemical precipitation method. Optimal parameters were determined as follows: adjusting the pH value of the waste solution to 10, maintaining a water bath temperature of 85 °C, achieving a Ca/P ratio of 1.67. Consequently, the concentration of phosphorus in the waste solution decreased from 36.096 g/L to 0.72 mg/L while achieving a recovery rate for total phosphorus at 99.998 %. Biocompatible calcium hydroxyapatite was successfully synthesized using this method; however, further investigation revealed its weak stability.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 2","pages":"Article 101571"},"PeriodicalIF":3.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140784","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
Functionalized triazoles: Design, synthesis and chemical characterization of 1,2,3-triazolylmethylthio-1,3,4-oxadiazole derivatives as insecticidal and antibacterial agents
IF 3.2 4区 化学
Journal of the Indian Chemical Society Pub Date : 2025-02-01 DOI: 10.1016/j.jics.2025.101578
Hany M. Abd El-Lateef , Mai M. Khalaf , Mohamed Gouda , Abdelrahim Fathy Ismail , Mohamed A. Gad , Syed Nazreen , Amer A. Amer , Saleh AL-Ghamdi , Tamer Mohamed Abdelghani Ibrahim , Antar A. Abdelhamid
{"title":"Functionalized triazoles: Design, synthesis and chemical characterization of 1,2,3-triazolylmethylthio-1,3,4-oxadiazole derivatives as insecticidal and antibacterial agents","authors":"Hany M. Abd El-Lateef ,&nbsp;Mai M. Khalaf ,&nbsp;Mohamed Gouda ,&nbsp;Abdelrahim Fathy Ismail ,&nbsp;Mohamed A. Gad ,&nbsp;Syed Nazreen ,&nbsp;Amer A. Amer ,&nbsp;Saleh AL-Ghamdi ,&nbsp;Tamer Mohamed Abdelghani Ibrahim ,&nbsp;Antar A. Abdelhamid","doi":"10.1016/j.jics.2025.101578","DOIUrl":"10.1016/j.jics.2025.101578","url":null,"abstract":"<div><div>Compounds containing oxadiazole, 1,2,3-triazole or paracetamol have different applications in the fields of pharmaceutical, medical sciences and agrochemical due to their various biological activities. Here, a copper-catalyzed cycloaddition reaction of <em>N</em>-(4-{[5-(prop-2-ynylthio)-<em>s</em>-oxadiazol-2-yl]methoxy}phenyl)acetamide <strong>3</strong> with aromatic azide was used to prepare a series of heterocyclic compounds comprising oxadiazole, 1,2,3-triazole moieties <strong>4</strong>–<strong>10</strong>. Moreover, nymphs and adults of cotton aphid were used to test the insecticidal qualities of all produced compounds. Conversely, it is suggested that neonicotinoid chemicals are the best pesticides for controlling aphids and a variety of other pests. Numerous pesticides are found to be new. Consequently, a number of pyridine derivatives were chemically produced to function as neonicotinoids' counterparts, a large class of insecticides. The component <strong>9</strong> has the maximum insecticidal bioactivity, with LC<sub>50</sub> value of 1.99 mg/L. It's interesting to observe that compounds <strong>6</strong> and <strong>8</strong> demonstrated superior inhibition against <em>Bacillus cereus</em> and <em>Escherichia coli</em> than the widely used antibiotic ciprofloxacin at all doses. The method of discovering novel compounds that may one day be employed as insecticidal agents is covered in this article.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 2","pages":"Article 101578"},"PeriodicalIF":3.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140665","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
Deep deterministic policy gradient reinforcement learning based temperature control of a fermentation bioreactor for ethanol production
IF 3.2 4区 化学
Journal of the Indian Chemical Society Pub Date : 2025-02-01 DOI: 10.1016/j.jics.2025.101575
N. Rajasekhar, T.K. Radhakrishnan, N. Samsudeen
{"title":"Deep deterministic policy gradient reinforcement learning based temperature control of a fermentation bioreactor for ethanol production","authors":"N. Rajasekhar,&nbsp;T.K. Radhakrishnan,&nbsp;N. Samsudeen","doi":"10.1016/j.jics.2025.101575","DOIUrl":"10.1016/j.jics.2025.101575","url":null,"abstract":"<div><div>Manufacturing of ethanol is an essential industrial bioprocess for energy production. The primary objective of this research is to control the temperature of the fermentation reactor to produce ethanol considering process (bioreactor) complexity, model uncertainty and sluggish response. Sophisticated model-based controllers face hurdles stemming from the necessity for precise models, demanding computationally intensive algorithms for planning and optimization, and susceptibility to uncertainties and process - model mismatch. However, a sub class of machine learning called reinforcement learning (RL) can assist by enabling agents to learn policies directly from their plant or environment. In this study, the efficacy of using a deep deterministic policy gradient (DDPG), an RL method for control of a bioreactor is ascertained. For applications requiring in-process control, DDPG is the appropriate choice due to the advantages of continuous state-action spaces. The continuous bioreactor act as an environment and it is modelled using MATLAB - 2023a. The DDPG agent with a reward function is tested on non-linear bio reactor model. For an even comparison, the results are compared with an another existing popular RL algorithm viz., deep Q-learning network (DQN) algorithm. The DDPG agent gives better results as compared to DQN in terms of integral squared error (ISE) and these act as performance indices. The DDPG trained agent successfully rejects the disturbances such as change in input flow (F<sub>in</sub>), inlet temperature (T<sub>in</sub>), and its performance is evaluated in terms of ISE.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 2","pages":"Article 101575"},"PeriodicalIF":3.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140715","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, spectroscopic analysis and theoretical study of novel cobalt(II) complexes: Solar radiations-driven photocatalytic degradation of organic pollutants in wastewater
IF 3.2 4区 化学
Journal of the Indian Chemical Society Pub Date : 2025-02-01 DOI: 10.1016/j.jics.2025.101588
Shalima Kumari, Maridula Thakur, Sachin Kumar
{"title":"Synthesis, spectroscopic analysis and theoretical study of novel cobalt(II) complexes: Solar radiations-driven photocatalytic degradation of organic pollutants in wastewater","authors":"Shalima Kumari,&nbsp;Maridula Thakur,&nbsp;Sachin Kumar","doi":"10.1016/j.jics.2025.101588","DOIUrl":"10.1016/j.jics.2025.101588","url":null,"abstract":"<div><div>The primary objective of this research is the synthesis of novel cobalt(II)-based mixed-ligand complexes, incorporating 2-hydroxyphenyl and a Schiff base ligand <strong>(L1)</strong> derived from cinnamaldehyde and mesalamine, designated as complexes <strong>1</strong> and <strong>2</strong>. These complexes exhibit efficacy in detoxifying organic pollutants, specifically methylene blue (MB) and malachite green (MG), from wastewater. Spectral characterization of the ligand <strong>(L1)</strong> and the cobalt(II) complexes, <strong>1</strong> and <strong>2,</strong> were performed using Fourier transform infrared (FTIR) spectroscopy, proton nuclear magnetic resonance (<sup>1</sup>H NMR) spectroscopy, cyclic voltammetry (CV), powder X-Ray diffraction (PXRD), field emission scanning electron microscopy (FE-SEM), and ultraviolet–visible (UV–Vis.) spectroscopy. Additionally, molar conductance measurements, chloride estimation, and metal estimation were conducted and discussed. The molecular structures of <strong>L1</strong>, complex <strong>1</strong>, and <strong>2</strong> were optimized by using Density Functional Theory (DFT) with B3LYP functional model and 6–311++G(d,p) basis set, and the corresponding parameters were thoroughly analyzed. Quantum chemical reactivity parameters for these synthesized complexes were predicted through charge distribution and molecular orbital analyses. Furthermore, the cobalt(II) complexes demonstrated effective photocatalytic degradation of MB and MG in aqueous solution, exhibiting high reusability. Complexes <strong>1</strong> and <strong>2</strong> showed exceptional selective photocatalytic efficiency towards the degradation of cationic dyes. Kinetic studies revealed that the degradation process adheres to the Langmuir-Hinshelwood kinetic model, achieving a maximum degradation efficiency of up to <strong>96.5 %</strong> for the cationic dyes. Based on trapping experiments, a hypothetical mechanism for the observed photocatalytic performance was proposed.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 2","pages":"Article 101588"},"PeriodicalIF":3.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140790","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
Aqueous-phase reforming of mannitol over Pt/C catalyst in a fixed-bed reactor
IF 3.2 4区 化学
Journal of the Indian Chemical Society Pub Date : 2025-02-01 DOI: 10.1016/j.jics.2025.101613
Rohini S. Zambare, Prakash D. Vaidya
{"title":"Aqueous-phase reforming of mannitol over Pt/C catalyst in a fixed-bed reactor","authors":"Rohini S. Zambare,&nbsp;Prakash D. Vaidya","doi":"10.1016/j.jics.2025.101613","DOIUrl":"10.1016/j.jics.2025.101613","url":null,"abstract":"<div><div>Aqueous-phase reforming (APR) of macroalgal biomass is a candidate technique for hydrogen (H<sub>2</sub>) production. In this work, mannitol was chosen as a model compound of brown macroalgae and H<sub>2</sub> was produced from APR of mannitol using a commercial Pt/C catalyst. Kinetics trials were performed in a fixed-bed reactor between temperature (T) 453 and 498 K and pressure (P) 1.2 and 2.4 MPa using 5, 10 and 15 wt% mannitol-containing feeds. The weight hourly space velocity (WHSV) was varied in the 0.15–0.6 1/h range. At T = 498 K and P = 2.4 MPa, turnover frequency of hydrogen (TOF-H<sub>2</sub> = 3.4 1/min), mannitol conversion (X = 82 %) and H<sub>2</sub> yield (Y–H<sub>2</sub> = 23.7 %) were determined. The reaction rate exhibited fractional order dependence on mannitol concentration. The activation energy for H<sub>2</sub> production was found to be 88.3 kJ/mol. In this way, this work provided useful information on mannitol-to-H<sub>2</sub> conversion by the APR process.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 3","pages":"Article 101613"},"PeriodicalIF":3.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143351299","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
Micellization behavior of 12-4-12 Gemini surfactant with sucrose and ribose: Thermodynamic insights and self-aggregation dynamics
IF 3.2 4区 化学
Journal of the Indian Chemical Society Pub Date : 2025-02-01 DOI: 10.1016/j.jics.2025.101567
Nidhi Sharma , Sumita Sood , Rzgar Farooq Rashid , Taoufik Saidani , Shaimaa A.M. Abdelmohsen , M.Ijaz Khan
{"title":"Micellization behavior of 12-4-12 Gemini surfactant with sucrose and ribose: Thermodynamic insights and self-aggregation dynamics","authors":"Nidhi Sharma ,&nbsp;Sumita Sood ,&nbsp;Rzgar Farooq Rashid ,&nbsp;Taoufik Saidani ,&nbsp;Shaimaa A.M. Abdelmohsen ,&nbsp;M.Ijaz Khan","doi":"10.1016/j.jics.2025.101567","DOIUrl":"10.1016/j.jics.2025.101567","url":null,"abstract":"<div><div>In the current research, attempt has been made to evaluate the interactionsof 12-4-12 Gemini surfactanti.e. (butanediyl-1, 4-bis (dimethyldodecylammonium bromide) with sucrose and ribose to determine their self-aggregation behavior by evaluating the critical micelle concentration (<em>CMC</em>) through conductivity and spectrophotometric techniques. Reduction in <em>CMC</em> value of Gemini surfactant subject to carbohydrates was observed in the order: pure water &gt; ribose &gt; sucrose. Decrease in <em>CMC</em> values was more pronounced in case of sucrose, as compared to that of ribose which has been attributed to hydrophobicity difference between these sugars. Further, to understand the process of micellization, different thermodynamic variables viz. standard Gibbs free energy (<span><math><mrow><mo>Δ</mo><msubsup><mi>G</mi><mi>m</mi><mn>0</mn></msubsup></mrow></math></span>), standard enthalpy (<span><math><mrow><mo>Δ</mo><msubsup><mi>H</mi><mi>m</mi><mn>0</mn></msubsup></mrow></math></span>) and standard entropy (<span><math><mrow><mo>Δ</mo><msubsup><mi>S</mi><mi>m</mi><mn>0</mn></msubsup></mrow></math></span>) of micellization were determined through pseudo phase separation model after studying the temperature dependent behavior of <em>CMC</em>. Thermodynamic parameters revealed that binding interactions between Gemini surfactant and carbohydrates were electrostatic and hydrophobic in nature, although hydrophobic interactions were more dominant at higher temperature. These finding suggest the suitability of Gemini Surfactant in stabilization of emulsions and biological applications.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 2","pages":"Article 101567"},"PeriodicalIF":3.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140676","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
In-silico exploration of potential indoleamine 2,3-dioxygenase-1 inhibitors: An insight from docking, ADME and molecular dynamic simulations
IF 3.2 4区 化学
Journal of the Indian Chemical Society Pub Date : 2025-02-01 DOI: 10.1016/j.jics.2024.101550
Zahid Bashir Zargar , Priyanka Rana , Rahul Singh , Manpreet Kaur , Srinivasarao Mande , K.V. Jovan Jose , Deepak B. Salunke , Neelima Dhingra , Sandip V. Pawar
{"title":"In-silico exploration of potential indoleamine 2,3-dioxygenase-1 inhibitors: An insight from docking, ADME and molecular dynamic simulations","authors":"Zahid Bashir Zargar ,&nbsp;Priyanka Rana ,&nbsp;Rahul Singh ,&nbsp;Manpreet Kaur ,&nbsp;Srinivasarao Mande ,&nbsp;K.V. Jovan Jose ,&nbsp;Deepak B. Salunke ,&nbsp;Neelima Dhingra ,&nbsp;Sandip V. Pawar","doi":"10.1016/j.jics.2024.101550","DOIUrl":"10.1016/j.jics.2024.101550","url":null,"abstract":"<div><div>Indoleamine-2,3-dioxygenase-1 (IDO1) catalysed tryptophan-kynurenine (Tyr-Kyn) pathway is essential for regulating various biological processes, including metabolism and immune responses. Recent reports on activation of Tyr-Kyn pathway during COVID-19 infection also highlights the significance of IDO 1 inhibition a new therapeutic target for treating complications of COVID-19. Consequently, IDO1 inhibitors are seen as emerging molecules for cancer therapy and several other diseases. There is a pressing need for development of novel potential IDO 1 inhibitors. The current study reports an identification of potential IDO1 inhibitors from library of reported IDO1 inhibitors (265 molecules) belonging to 32 categories/scaffolds. Initially molecular docking was carried out on the selected 265 molecules and are subsequently compared with reference drug Epacadostat. The result of the top 24 molecules with high D scores were compared with the reference (Epacadostat) and screened sequentially by ADME filters to find out a possible drug candidate(s). Furthermore, simulations for the stability determination, calculation of free energy of the binding was done on the four ligand-pocket complexes (<strong>8</strong>, <strong>43</strong>, <strong>66</strong>, <strong>and 243</strong>) in order to find the dynamic properties and confirm the docking results. Among four molecules, docking results of <strong>243</strong> and <strong>43</strong> ligands were found in agreement with the experimentally obtained results, and these compounds demonstrated to have potent activity and selectivity for IDO1 enzyme. The findings are useful and supportive and warrant further biological evaluation of potential IDO1 inhibitors <strong>243</strong> and <strong>43</strong>.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 2","pages":"Article 101550"},"PeriodicalIF":3.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140730","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
Artificial neural network based modeling and simulation of spiral wound Nano-filtration module and analyzing input responses for removal of Arsenic (Ⅴ) from potable water
IF 3.2 4区 化学
Journal of the Indian Chemical Society Pub Date : 2025-02-01 DOI: 10.1016/j.jics.2025.101579
Deepak Koundal, Shailendra Bajpai
{"title":"Artificial neural network based modeling and simulation of spiral wound Nano-filtration module and analyzing input responses for removal of Arsenic (Ⅴ) from potable water","authors":"Deepak Koundal,&nbsp;Shailendra Bajpai","doi":"10.1016/j.jics.2025.101579","DOIUrl":"10.1016/j.jics.2025.101579","url":null,"abstract":"<div><div>An increase in heavy metal contaminants such as arsenic (V) in potable water is a major health hazard and is a cause of fatal diseases and several body disorders. A reliable remedy to tackle this problem is Nano-filtration membrane, which is economical and does not allow heavy metal ions to permeate. However, input parameters should be set to an accurate value for better results, which is quite difficult. This study addresses the complexity of employing Artificial Neural Network (ANN) to model the Permeate Flux and percentage Rejection of a Nano-filtration membrane using the Deep Learning Toolbox in MATLAB. Initially, the number of neurons in the hidden layer were optimized and deployed for better results. The minimum value of the MSE (0.001325) was achieved with 10 neurons in the hidden layer. The developed model provides a coefficient of correlation (R) of 0.98022, which signifies a good-trained model. The trained ANN was then simulated to verify the model after the validation, effect of various input responses on Permeate Flux and percentage Rejection were studied. The best working range for T, TMP, Conct<sub>F</sub> and pH would be 32 °C–23 °C, 7.5 bars–2.5 bars, 0.8 mg/l to 0.5 mg/l and 8 to 4.5, respectively when Flux would be kept under 40 l/m<sup>2</sup>h and rejection would be above 75 %.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 2","pages":"Article 101579"},"PeriodicalIF":3.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140785","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
Assessment of clouding behaviour and physico-chemical parameters of triton X-100 and metformin hydrochloride drug mixture: Understanding the impacts of hydrotropic compounds
IF 3.2 4区 化学
Journal of the Indian Chemical Society Pub Date : 2025-01-31 DOI: 10.1016/j.jics.2025.101608
Sharmin Akhter Maya , Tajmul Hasan , Mahbub Alam , Javed Masood Khan , Mohammad Amir , Shahed Rana , Md. Anamul Hoque , Mohammad Majibur Rahman , Mohammed Abdullah Khan , Amjad Islam
{"title":"Assessment of clouding behaviour and physico-chemical parameters of triton X-100 and metformin hydrochloride drug mixture: Understanding the impacts of hydrotropic compounds","authors":"Sharmin Akhter Maya ,&nbsp;Tajmul Hasan ,&nbsp;Mahbub Alam ,&nbsp;Javed Masood Khan ,&nbsp;Mohammad Amir ,&nbsp;Shahed Rana ,&nbsp;Md. Anamul Hoque ,&nbsp;Mohammad Majibur Rahman ,&nbsp;Mohammed Abdullah Khan ,&nbsp;Amjad Islam","doi":"10.1016/j.jics.2025.101608","DOIUrl":"10.1016/j.jics.2025.101608","url":null,"abstract":"<div><div>The study of the effect of various hydrotropes (HYTs) on the clouding behaviour of surfactant-drug mixture is imperative to enhance the pharmaceutical preparation. The hydrophobic nature of organic compounds demands a rigorous approach to boost the solubility of sparingly soluble drugs or organic molecules in aqueous solvents. Hydrotropes (HYTs) could be a unique selection to improve the liquid solubility of drugs that are not much soluble in water. In order to investigate the liquid solubility of surfactant and drug, the cloud point (CP) or lower consolute temperature (LCT) detection technique was used to examine the clouding phenomenon of Triton X-100 (TX-100) and metformin hydrochloride (MMH) mixed system in aqueous solutions of HYTs (<em>o</em>-cresol, caffeine, nicotinamide, urea, and glycerol). The CP values of TX-100 + MMH drug mixture are increased in the presence of caffeine, nicotinamide, and urea whereas the CP values decreased in presence of <em>o</em>-cresol and glycerol. In the current investigation, the values of Gibbs free energy (<span><math><mrow><msubsup><mrow><mo>Δ</mo><mi>G</mi></mrow><mi>c</mi><mn>0</mn></msubsup></mrow></math></span>) were observed positive, so the clouding process was of TX-100 + MNH mixture nonspontaneous. But, when the HYT concentration rose, these values progressively experienced a drop. In aqueous HYTs media, the entropy change (<span><math><mrow><msubsup><mrow><mo>Δ</mo><mi>S</mi></mrow><mi>c</mi><mn>0</mn></msubsup></mrow></math></span>) was positive (except <em>o</em>-cresol, and glycerol), as well as the enthalpy change (<span><math><mrow><msubsup><mrow><mo>Δ</mo><mi>H</mi></mrow><mi>c</mi><mn>0</mn></msubsup></mrow></math></span>) was also found positive (except <em>o</em>-cresol, and glycerol). The <span><math><mrow><msubsup><mrow><mo>Δ</mo><mi>H</mi></mrow><mi>c</mi><mn>0</mn></msubsup></mrow></math></span> and <span><math><mrow><msubsup><mrow><mo>Δ</mo><mi>S</mi></mrow><mi>c</mi><mn>0</mn></msubsup></mrow></math></span> results indicate that intermolecular interactions, such as hydrogen bonding, dispersion forces, Debye forces, dipole-dipole interactions, as well as hydrophobic interactions, are the main forces between TX-100 + MMH in the presence of HYTs. The molar heat capacity <span><math><mo>(</mo><msubsup><mrow><mo>Δ</mo><mi>C</mi></mrow><mi>c</mi><mn>0</mn></msubsup><mo>)</mo></math></span>, compensation temperature (<em>T</em><sub><em>c</em></sub>), and intrinsic enthalpy gain (<span><math><mrow><msubsup><mrow><mo>Δ</mo><mi>H</mi></mrow><mi>c</mi><mrow><mn>0</mn><mo>,</mo><mo>∗</mo></mrow></msubsup></mrow></math></span>) were also computed and logically interpreted. Comprehending the surfactant-drug interaction is essential for developing efficient drug formulations and enhancing the surfactant-drug system for broad-ranges of industrial applications.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 3","pages":"Article 101608"},"PeriodicalIF":3.2,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143351180","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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