{"title":"Techno-economic analysis of arsenic (III) removal using spiral wound polyethersulfone nanofiltration membrane at pilot scale","authors":"","doi":"10.1016/j.jics.2024.101408","DOIUrl":"10.1016/j.jics.2024.101408","url":null,"abstract":"<div><div>In this work, the influence of initial solution pH on membrane performance was carried out for arsenic (III) removal using spiral wound polyethersulfone (HFN300) Nanofiltration membrane at pilot scale. The rejection percentage was found to increase from 49 % to 96 % while increasing initial solution pH from 4 to 10. Speciation of arsenic, solute-membrane affinity, electric-migration effect along with convection and diffusion were found to be dominant mechanisms for arsenic removal. Donnan Steric Pore Model was selected to estimate the membrane parameters including pore radius (0.313 nm), membrane thickness (2.17 μm), and membrane charge density (−3.56 mol/m3).Excellent agreements were found between the experimental and simulated values for all the studied pH range. Selected model works satisfactorily within 10 % of error for both rejection percentage and permeate flow. Economic feasibility study was carried out for the rural population (India) and total annualized cost was found to be USD 0.90/m<sup>3</sup> that seems both reasonable and affordable for arsenic free drinking water. It can be concluded that annualized production cost was dependent on membrane lifespan, electricity tariff, per capita, population size, arsenic feed concentration, etc. The result obtained in the study suggests the feasibility of using the NF process in removing arsenic from contaminated water. Overall, the study provides valuable insights into the mechanisms governing arsenic (III) removal through nanofiltration process using spiral wound polyethersulfone nanofiltration membrane at pilot scale, demonstrating the effectiveness of pH optimization and membrane modelling in improving removal efficiency, which can contribute to the development of cost-effective solutions for safe drinking water in arsenic-affected rural areas<strong>.</strong></div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":null,"pages":null},"PeriodicalIF":3.2,"publicationDate":"2024-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142428714","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":"Process optimization of victoria blue dye removal using polypyrrole-encapsulated zirconium oxide: Mechanistic pathway and economic assessment","authors":"","doi":"10.1016/j.jics.2024.101407","DOIUrl":"10.1016/j.jics.2024.101407","url":null,"abstract":"<div><div>In this study, an organometallic composite, namely a polypyrrole-encapsulated zirconium oxide (ZrO<sub>2</sub>/PPy) nanocomposite, was developed and used to eliminate Victoria blue dye (VB) from water system. Specific surface area of the ZrO<sub>2</sub>/PPy obtained from BET study was observed to be 61.822 m<sup>2</sup>/g. Solution pH of 7.0, ZrO<sub>2</sub>/PPy nanocomposite dose of 0.8 g/L, sonication period of 40 min and initial VB dye concentration of 50 mg/L were chosen as optimal test parameters, at which 86.23 (±1.15) % of VB dye elimination was observed. The VB dye uptake process follows pseudo-second-order kinetic model and Langmuir isotherm model, with the later providing the maximum VB dye adsorption capacity of ZrO<sub>2</sub>/PPy nanocomposite as 238.09 mg/g. Thermodynamics study suggests the spontaneous (ΔG<sup>o</sup>< 0) and endothermic (ΔH<sup>o</sup>> 0) nature of the adsorption study. Food processing wastewater causes maximum hindrance (∼20 (±0.90) % −25 (±1.03) %) in the VB dye uptake process while the presence of phosphate (PO<sub>4</sub><sup>3−</sup>) ions can create highest interference (∼17 (±0.93) % −19 (±1.08) %) in the VB dye uptake process. At the optimum test parameter values (adsorbent dose: 1.3 g/L, initial VB dye concentration: 20 mg/L, sonication period: 70 min) as suggested by response surface methodology (RSM), maximum VB dye elimination of ∼96 % was observed. Electrostatic attraction, π–π interaction and hydrogen bond formation are amongst the major uptake mechanisms. Regeneration study indicates ∼19 (±1.36) % of decrease in VB dye elimination (%) after fifth cycle of reuse. The lab scale and industrial scale fabrication expense of 1.0 kg of ZrO<sub>2</sub>/PPy nanocomposite were obtained as 75.74 and 22.20 USD, respectively. The findings of this study suggest the potential of ZrO<sub>2</sub>/PPy nanocomposite as an effective and economically viable adsorbent to eliminate VB dye from wastewater.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":null,"pages":null},"PeriodicalIF":3.2,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142428636","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":"Voltammetric and electro-kinetic assessment of prucalopride at MnO2-rGO fabricated pencil graphite electrode","authors":"","doi":"10.1016/j.jics.2024.101405","DOIUrl":"10.1016/j.jics.2024.101405","url":null,"abstract":"<div><div>Development and design of rGO-based nanocomposite-modified carbon-based electrodes are necessary to enhance the selectivity and desired selectivity of the voltammetric sensors. In this work, a manganese dioxide-reduced graphene oxide (MnO<sub>2</sub>-rGO) fabricated pencil graphite electrode is described for the detection of prucalopride (PRU), which is used to treat chronic idiopathic constipation. A simple cost effective hydrothermal method was used to synthesize the needle-shaped MnO<sub>2</sub>. The MnO<sub>2</sub>-rGO nanocomposite was characterized using XRD, SEM, and FTIR spectroscopy to examine its microstructure and morphology. The results revealed that MnO<sub>2</sub> needles are distributed on the flakes of the rGO, thereby enhancing the electro-catalytic activity of MnO<sub>2</sub>-rGO/PGE. The electrochemical performance of the developed MnO<sub>2</sub>-rGO/PGE was examined using CV, chronocoulometry, SWSV, and DPSV methods. The diffusion-controlled oxidation of the PRU at the MnO<sub>2</sub>-rGO/PGE produces an irreversible peak in all the voltammograms which were used to calculate several electro-kinetic parameters like electron transfer coefficient (α = 0.598), diffusion coefficient (D<sub>o</sub> = 1.62 × 10<sup>−5</sup> cm<sup>2</sup>s<sup>−1</sup>), surface coverage (<em>Γ</em><sup><em>o</em></sup> = 1.55 × 10<sup>−9</sup> molcm<sup>−2</sup>), and effective surface area. Furthermore, advanced SWSV and DPSV methods are proposed for the accurate, selective, and sensitive detection of the PRU in pharmaceutical samples. The reported values of detection limit (LOD) for the proposed SWSV and DPSV methods are 20.39 μM and 14.53 μM, respectively, which make them eco-friendly and affordable alternative tools for the quantification of the PRU in pharmaceutical samples.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":null,"pages":null},"PeriodicalIF":3.2,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142428654","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":"Multifaceted insights into Cu(II) complexes with bis(benzimidazole) ligands: Structural investigation, theoretical studies, cytotoxicity evaluation, and antioxidant summarizing","authors":"","doi":"10.1016/j.jics.2024.101410","DOIUrl":"10.1016/j.jics.2024.101410","url":null,"abstract":"<div><div>In this study, the synthesized two new ligands, namely bis(1<em>H</em>-benzo[<em>d</em>]imidazole-1-yl) methane [<strong>L1</strong>] and 1,2-bis(1<em>H</em>-benzo[<em>d</em>]imidazole-1-yl) ethane [<strong>L2</strong>], from benzimidazole. They chose 1,2-dibromomethane and 1,2-dibromoethane as they are widely used in environmental catalysis and as ligands in conjugated configurations. The researchers were able to synthesize the Cu(II) complexes, [Cu(<strong>L1</strong>)<sub>2</sub>]Cl<sub>2</sub> or <strong>[1]</strong> and [Cu(<strong>L2</strong>)<sub>2</sub>]Cl<sub>2</sub> or <strong>[2]</strong>, at room temperature. They used several analytical techniques, including elemental analysis, magnetic moment measurement, UV–visible spectroscopy, FT-IR spectroscopy, FT-Raman spectroscopy, NMR spectroscopy (including <sup>1</sup>H, <sup>13</sup>C, DEPT-135, HSQC, and HMBC techniques), ESI-MS analysis, thermogravimetric analysis, and ESR spectroscopy, to characterize the synthesized compounds. They found that the ESR spectra of complexes <strong>[1]</strong> and <strong>[2]</strong> suggest that both metal complexes have square planar coordination spheres. In the DFT study of the geometrical optimization of both complexes, the central plane consists of the Cu metal atom connected to four nitrogen atoms. The Cu–N bond lengths are measured at 2.194 Å for <strong>[1]</strong> and 2.176 Å for <strong>[2]</strong> whereas the FMO theory's slight reduction in the HOMO-LUMO gap for <strong>[2]</strong> suggests that it is more reactive and less stable compared to <strong>[</strong><strong>1]</strong>. In addition, the researchers tested the effect of these compounds on human cervical cancer cell lines (HeLa) which showed significant cytotoxic effects under laboratory conditions. Complex <strong>[2]</strong> had a significant inhibitory impact on the growth of cancer cells. The researchers also assessed the antioxidant effects of the ligands and metal complexes using DPPH, OH, and NO assays and found that <strong>[2]</strong> had the most potent inhibitory effect on the radicals, with IC<sub>50</sub> values of 36.11 μM (DPPH), 28.18 μM (OH), and 26.20 μM (NO).</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":null,"pages":null},"PeriodicalIF":3.2,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142442177","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":"Improved electrochemical performance of the iron-doped NiO nanoparticles at varying calcination temperatures and examination of their supercapacitor applications","authors":"","doi":"10.1016/j.jics.2024.101398","DOIUrl":"10.1016/j.jics.2024.101398","url":null,"abstract":"<div><div>The scientific community is interested in increasing oxide electrochemical characteristics for supercapacitor applications. The present research explores the development of supercapacitor electrodes using Fe-doped NiO nanoparticles synthesised via chemical co-precipitation method with varied calcination temperatures (350, 550, and 750 °C). The key innovation of the work lies in the systematic investigation of the effects of calcination temperature on the electrochemical properties and structural characteristics of the Fe-doped NiO nanoparticles. X-ray diffraction (XRD) analysis revealed a trend of increasing crystallite size with rising temperatures, and optical studies indicated a decreasing trend in the energy band gap from 3.67 eV to 3.23 eV. Fourier transform infrared (FTIR) spectroscopy confirmed the metal-oxygen bond in the molecules. Scanning electron microscopy (SEM) and High-Resolution Transmission Electron Microscopy (HR-TEM) analysis showed the mesoporous spherical morphology of the nanoparticles. Energy-dispersive X-ray spectroscopy (EDX) ensured the samples' elemental composition purity. Brunauer–Emmett–Teller (BET) shows a specific surface area of around 180.8 m<sup>2</sup>/g was obtained for Fe-doped NiO nanoparticles at 350 °C. Electrochemical tests demonstrated that the Fe-doped NiO electrodes, especially calcined at 350 °C, exhibit superior specific capacitance values (635 F/g) and impressive cycle stability with 93.29 % capacitance retention after 5000 cycles. The present demonstrates the potential of optimizing calcination temperatures to enhance the electrochemical performance and stability of Fe-doped NiO supercapacitor electrodes, marking a significant advancement in supercapacitor technology.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":null,"pages":null},"PeriodicalIF":3.2,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142428660","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":"Bioremediation of textile wastewater using Bacillus cereus isolated from refinery site: Comparative analysis of free and immobilized cells systems","authors":"","doi":"10.1016/j.jics.2024.101406","DOIUrl":"10.1016/j.jics.2024.101406","url":null,"abstract":"<div><div>The textile industries consume a considerable amount of freshwater and discharge untreated or semi-treated pollutants to the environment. Azo dyes, generally employed in textile manufacturing industries, have a hazardous impact on the ecosystem. Incomplete treatment of wastewater containing azo dyes discharges into the aquatic system, which has recalcitrant and toxic properties. Hence, the need for cost-effective and high-performing technologies is essential. In this direction, bacterial degradation is considered an economically viable and efficient technique for the treatment of Active blue (AB) dye. Polyurethane foam (PUF) is a low-cost and hydrophilic material with a microporous structure, which offers an excellent surface-to-volume ratio. Hence, PUF was preferred for the immobilization of isolated bacterial species. For this, a dye-degrading gram-positive bacteria namely <em>Bacillus cereus</em> GS2 IIT (BHU) was isolated from the petroleum sludge. A comparative analysis between free and immobilized cell systems was carried out by varying the process parameters, i.e., batch time, pH, temperature, glucose concentration, and initial AB dye concentration. The corresponding optimum conditions were found to be 6.0 days, 6.5, 30 °C, 1.0 g/L, and 50 mg/L, respectively. The immobilized cell system exceeds the dye removal efficiency (RE) by 10. 7 % compared to the free cell system. The packed bed bioreactor could be able to deliver 98.56 % of dye removal at an inlet loading rate of 30 mg/L d and 50 mg/L of initial dye concentration.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":null,"pages":null},"PeriodicalIF":3.2,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142428658","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":"Development, characterization and themo-physical analysis of energy storage material doped with TiO2 and CuO nano-additives","authors":"","doi":"10.1016/j.jics.2024.101400","DOIUrl":"10.1016/j.jics.2024.101400","url":null,"abstract":"<div><div>The paper presents the results of an experimental investigation on chemical stability, surface morphology, and thermo-physical properties of phase change material integrated with nano additives. The research aims to evaluate impact of varying nano-particle concentration on thermal performance of phase change material. The phase change material magnesium dichloride hexahydrate and potassium chloride mixed in different mass ratio along with different wt% concentration of nano-additives titanium dioxide and copper oxide to prepare novel phase change material. Characterization methods such as Fourier Transform Infrared Spectroscopy, Scanning electron microscope, Energy-dispersive X-ray analysis, and Differential scanning calorimeter analysis were employed. The Fourier transform infrared spectra indicated physical interactions between phase change material and nano-additives, while Energy-dispersive X-ray analysis confirmed elemental composition, and Scanning electron microscope demonstrated uniform distribution. The improved thermal properties of samples were reflected in their phase change enthalpy (284.57 J/g to 324.63 J/g), minimal energy loss (0.91 %–2.96 %), and low supercooling (0.3 %–5.26 %). Notably, doping with 1.5 wt% of titanium dioxide and copper oxide enhanced thermal conductivity by up to 117.07 % and specific heat capacity by up to 48.09 %. The introduction of nanoparticles significantly improves heat transfer characteristics, resulting in enhanced energy retention, reduced energy loss during phase transitions, decreased supercooling, and increased physical stability. These results suggest that optimized phase change material with nano-additives is highly effective for applications requiring stable and efficient thermal management.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":null,"pages":null},"PeriodicalIF":3.2,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142428655","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":"Indole analogs as potential anti-breast cancer agents: Design, synthesis, in-vitro bioevaluation with DFT, molecular docking and ADMET studies","authors":"","doi":"10.1016/j.jics.2024.101404","DOIUrl":"10.1016/j.jics.2024.101404","url":null,"abstract":"<div><div>Being a belligerent malignancy, triple-negative breast cancer poses unmet clinical challenges due to lack of targeted therapy, rapid growth rate and metastasis, high heterogeneity, and increased risk of recurrence. Diverse 1-(<em>1H</em>-indol-1-yl)-2-((5-aryl-<em>4H</em>-1,2,4-triazol-3-yl)thio))ethanones have been synthesized in substantial yield (81-87 %) by clubbing 1-(chloroacetyl)indoles with substituted triazoles under refluxing conditions of 4-5 h. The indole integrates demonstrated substantial antitumor efficacy in the MTT assay against the MDA-MB-231 cell line and substituting indole moiety with a halogen (bromo) significantly improves the anti-breast cancer action of the synthesized hybrids compared to the unsubstituted ring. Compound <strong>4i</strong> featuring halogen substituent on both the indole and phenyl moieties displayed the highest anticancer action with an IC<sub>50</sub> value of 2.121 μM The synthetic variants exhibited a notable binding propensity against the EGFR-TK receptor (PDB ID:<span><span>1M17</span><svg><path></path></svg></span>). Through <em>in-silico</em> ADMET screening, the pharmacological proclivity of the title compounds has been convicted. The notable bioactivity of the indole hybrids projects them as a potential lead in developing anti-breast cancer medications, especially against TNBC.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":null,"pages":null},"PeriodicalIF":3.2,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142428616","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":"Development of multi-herbal formulation with enhanced antimicrobial, antioxidant, cytotoxic, and antiaging properties","authors":"","doi":"10.1016/j.jics.2024.101402","DOIUrl":"10.1016/j.jics.2024.101402","url":null,"abstract":"<div><div>We developed a multi-herbal formulation (MCCSSTAMP) containing <em>Mentha piperita, Allium sativum, Syzygium aromaticum, Curcuma longa, Syzygium cumini, Trigonella foenum</em>-<em>graecum, Coriandrum sativum, Murraya koenigii</em> and <em>Piper nigrum</em> which was found to be versatile for the development of novel medicines and cosmetic products. The formulation was prepared using a hydro-alcoholic base and its phytochemical composition was analyzed. The initial phytochemical analysis revealed that MCCSSTAMP contained various phytochemicals, with the highest concentrations of phenolic content. The antimicrobial, anti-oxidant, cytotoxic, and anti-aging properties of the MCCSSTAMP were explored. The formulation showed potent anti-microbial efficacy against various microorganisms, including antibiotic-resistant strains. MCCSSTAMP also demonstrated potent anti-oxidant activity, effectively scavenging free radicals and chelating metal ions. Furthermore, it exhibited cytotoxic activity against carcinoma cell lines, comparable to a standard chemotherapeutic agent <em>cisplatin</em>. The formulation has a potential anti-aging agent and skin-whitening additive due to its significant inhibitory activity against enzymes involved in the aging process, such as hyaluronidase, elastase, and tyrosinase. Our study claims that the efficacy was attributed to the synergistic effect of combining multiple herbs in the formulation. Further, it acted as a viable source of nutritional supplements for the nutraceutical industry, as all of the plants used in the formulation are edible, making it a promising candidate for cancer treatment research and its application in cosmetic products to address hyperpigmentation and maintain skin integrity.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":null,"pages":null},"PeriodicalIF":3.2,"publicationDate":"2024-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142428656","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":"Determination of the interactions of a schiff base with different targets via molecular docking and cytotoxic activity studies","authors":"","doi":"10.1016/j.jics.2024.101401","DOIUrl":"10.1016/j.jics.2024.101401","url":null,"abstract":"<div><div>The pyrimidine nucleus is a vital pharmacophore that exhibits excellent pharmacological activity. A Schiff base containing a pyrimidine nucleus was obtained in two steps. This compound was assessed on the human prostate (PC3) and liver (HepG2) cancer cell lines using the MTT method. The prepared compound <strong>3</strong> was determined to have a high cytotoxic effect towards prostate cancer with an IC<sub>50</sub> value of 9.32 μM. Since experimental prostate and liver cancer studies were examined, the molecular docking study's target structures were determined accordingly. In molecular docking studies, compound <strong>3</strong> interacted <em>in silico</em> with the crystal structure of the human HER2 kinase domain (PDB Id: <span><span>3PP0</span><svg><path></path></svg></span>), the crystal structure of VEGFR-2 (PDB Id: <span><span>4ASD</span><svg><path></path></svg></span>), and the crystal structure of EGFR tyrosine kinase (PDB Id: <span><span>4HJO</span><svg><path></path></svg></span>), respectively. As a result of these interactions, binding energy values were calculated, and binding modes were determined. Additional <em>in vitro</em> and <em>in vivo</em> experiments targeting other cancer cell lines will provide deeper insight into the anticancer spectrum of this compound and new studies on this compound will be planned in the following years. Furthermore, optimizing and studying such pyrimidine-based Schiff base compounds for improved selectivity and potency against prostate cancer is also considered to be valuable as it may increase the potential to capture potential drug candidates.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":null,"pages":null},"PeriodicalIF":3.2,"publicationDate":"2024-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142428657","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}