Pub Date : 2025-11-01DOI: 10.1016/j.rechem.2025.102858
Samiksha J. Kokre , Rohini S. Kavalapure , Sushmitha S. Huddi , Shankar Gharge , Shankar G. Alegaon , Shriram D. Ranade , Meenaxi M. Maste , Ling Shing Wong , Ramith Ramu , D. Venu
Sulfonamides remain a cornerstone of medicinal chemistry, serving as a versatile scaffold for the design of clinically significant therapeutics. While previous reviews have summarized their broad biological activities, this article uniquely integrates recent advances (2012–2024) in sulfonamide-based drug discovery with a focus on the rational design of potent and selective analogues. Beyond their classical antibacterial role, sulfonamide derivatives have shown emerging potential against cancer, diabetes, neurodegenerative and inflammatory disorders, and psychiatric diseases. This review emphasizes structure–activity relationship (SAR) insights, innovative scaffold engineering, bioisosteric modifications, and hybrid molecule design strategies that have reshaped the pharmacological landscape of sulfonamides. By synthesizing these developments, we provide a comprehensive, mechanism-informed perspective that bridges chemistry and biology, highlighting how contemporary synthetic strategies and molecular insights enable the creation of next-generation therapeutics. This integrative approach offers a clear roadmap for future research, underscoring the evolving relevance and therapeutic promise of sulfonamide scaffolds.
{"title":"Sulfonamides: a versatile scaffold for diverse biological activity","authors":"Samiksha J. Kokre , Rohini S. Kavalapure , Sushmitha S. Huddi , Shankar Gharge , Shankar G. Alegaon , Shriram D. Ranade , Meenaxi M. Maste , Ling Shing Wong , Ramith Ramu , D. Venu","doi":"10.1016/j.rechem.2025.102858","DOIUrl":"10.1016/j.rechem.2025.102858","url":null,"abstract":"<div><div>Sulfonamides remain a cornerstone of medicinal chemistry, serving as a versatile scaffold for the design of clinically significant therapeutics. While previous reviews have summarized their broad biological activities, this article uniquely integrates recent advances (2012–2024) in sulfonamide-based drug discovery with a focus on the rational design of potent and selective analogues. Beyond their classical antibacterial role, sulfonamide derivatives have shown emerging potential against cancer, diabetes, neurodegenerative and inflammatory disorders, and psychiatric diseases. This review emphasizes structure–activity relationship (SAR) insights, innovative scaffold engineering, bioisosteric modifications, and hybrid molecule design strategies that have reshaped the pharmacological landscape of sulfonamides. By synthesizing these developments, we provide a comprehensive, mechanism-informed perspective that bridges chemistry and biology, highlighting how contemporary synthetic strategies and molecular insights enable the creation of next-generation therapeutics. This integrative approach offers a clear roadmap for future research, underscoring the evolving relevance and therapeutic promise of sulfonamide scaffolds.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102858"},"PeriodicalIF":4.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145516334","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The widespread presence of β-blockers in aquatic systems poses ecological risks due to their persistence and biological activity. This study reports the development and characterization of two nanocomposite-modified carbon paste electrodes rGO/Ag-CPE and rGO/TiO2-CPE for atenolol detection in environmental and biological matrices. Reduced graphene oxide (rGO) was combined with silver (Ag) or titanium dioxide (TiO2) to enhance conductivity, porosity, and electrocatalytic activity. Morphological and elemental properties were confirmed by SEM and EDS, while electrochemical behavior was assessed via cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS). The rGO/TiO2-modified carbon paste electrode demonstrated the lowest interfacial charge-transfer resistance (Rt = 209.75 Ω), significantly improved double-layer capacitance, and enhanced electron transfer kinetics relative to the other tested configurations. The analytical performance, assessed by square-wave voltammetry (SWV), revealed high sensitivity (5.6 μA/μM), a low limit of detection (0.16 μM), and excellent reproducibility (relative standard deviation, RSD ≤1.01 %). The sensor also exhibited dual linear ranges, with enhanced sensitivity at trace levels (1.6–23 μM) and maintained performance at higher concentrations up to 1142 μM. Applied to spiked river water and serum samples, the sensor achieved recoveries of 96–117 % with RSDs ≤3.2 %, meeting ICH validation criteria. These findings highlight rGO/TiO2-CPE as a cost-effective and sensitive platform for β-blocker monitoring in natural waters, with strong potential for integration into portable and point-of-care detection systems for environmental and clinical applications.
{"title":"Cost-effective electrochemical detection of β-blockers in surface waters using hybrid rGO/Ag and rGO/TiO2 nanocomposite electrodes","authors":"Ergi Hoxha , Nevila Broli , Muhamed Farruku , Huseyin Senturk , Esma Yildiz , Majlinda Vasjari , Arzum Erdem","doi":"10.1016/j.rechem.2025.102862","DOIUrl":"10.1016/j.rechem.2025.102862","url":null,"abstract":"<div><div>The widespread presence of β-blockers in aquatic systems poses ecological risks due to their persistence and biological activity. This study reports the development and characterization of two nanocomposite-modified carbon paste electrodes rGO/Ag-CPE and rGO/TiO<sub>2</sub>-CPE for atenolol detection in environmental and biological matrices. Reduced graphene oxide (rGO) was combined with silver (Ag) or titanium dioxide (TiO<sub>2</sub>) to enhance conductivity, porosity, and electrocatalytic activity. Morphological and elemental properties were confirmed by SEM and EDS, while electrochemical behavior was assessed via cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS). The rGO/TiO<sub>2</sub>-modified carbon paste electrode demonstrated the lowest interfacial charge-transfer resistance (Rt = 209.75 Ω), significantly improved double-layer capacitance, and enhanced electron transfer kinetics relative to the other tested configurations. The analytical performance, assessed by square-wave voltammetry (SWV), revealed high sensitivity (5.6 μA/μM), a low limit of detection (0.16 μM), and excellent reproducibility (relative standard deviation, RSD ≤1.01 %). The sensor also exhibited dual linear ranges, with enhanced sensitivity at trace levels (1.6–23 μM) and maintained performance at higher concentrations up to 1142 μM. Applied to spiked river water and serum samples, the sensor achieved recoveries of 96–117 % with RSDs ≤3.2 %, meeting ICH validation criteria. These findings highlight rGO/TiO<sub>2</sub>-CPE as a cost-effective and sensitive platform for β-blocker monitoring in natural waters, with strong potential for integration into portable and point-of-care detection systems for environmental and clinical applications.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102862"},"PeriodicalIF":4.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145516985","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Biosynthesis of silver nanoparticles using Viscum articulatum can be a new alternative to develop versatile nanomaterials with improved multifunctional bioactive applications. The synthesis of silver nanoparticles (AgNPs) was confirmed through UV–visible spectra, XRD, FTIR, FESEM, and EDX. A distinctive Ago Surface Plasmon Resonance (SPR) band at 413 nm confirmed the formation of AgNPs, while XRD and FESEM indicated spherical and cuboidal particles with an average diameter of 31.3167 nm. Energy-dispersive X-ray spectroscopy (EDX) analysis estimated 79.35 wt% of silver content, and FTIR spectra further identified the functional group of the extract that contributed to the AgNP stabilization. The AgNPs demonstrate strong antioxidant potential in the DPPH assay, colorimetric mercury sensing, and significant antimicrobial activity against both Gram-negative and positive bacterial strains, revealing a potent zone of inhibition (ZOI), 11 mm for Staphylococcus aureus, 10 mm for Bacillus subtilis, 12 mm for Klebsiella pneumoniae, and 11 mm for Escherichia coli. This research highlights V. articulatum based silver nanoparticles as a promising material for dual application in sensing and biomedical application.
{"title":"Silver nanoparticles derived from Viscum articulatum: a green approach to antioxidant, antibacterial, and sensing activities","authors":"Rabi Kiran Sharma , Prajwal Acharya , Ranjan Paudel , Prabina Shrestha , Netra Lal Bhandari , Deba Bahadur Khadka , Achyut Adhikari","doi":"10.1016/j.rechem.2025.102834","DOIUrl":"10.1016/j.rechem.2025.102834","url":null,"abstract":"<div><div>Biosynthesis of silver nanoparticles using <em>Viscum articulatum</em> can be a new alternative to develop versatile nanomaterials with improved multifunctional bioactive applications. The synthesis of silver nanoparticles (AgNPs) was confirmed through UV–visible spectra, XRD, FTIR, FESEM, and EDX. A distinctive Ag<sup>o</sup> Surface Plasmon Resonance (SPR) band at 413 nm confirmed the formation of AgNPs, while XRD and FESEM indicated spherical and cuboidal particles with an average diameter of 31.3167 nm. Energy-dispersive X-ray spectroscopy (EDX) analysis estimated 79.35 wt% of silver content, and FTIR spectra further identified the functional group of the extract that contributed to the AgNP stabilization. The AgNPs demonstrate strong antioxidant potential in the DPPH assay, colorimetric mercury sensing, and significant antimicrobial activity against both Gram-negative and positive bacterial strains, revealing a potent zone of inhibition (ZOI), 11 mm for <em>Staphylococcus aureus</em>, 10 mm for <em>Bacillus subtilis,</em> 12 mm for <em>Klebsiella pneumoniae</em>, and 11 mm for <em>Escherichia coli</em>. This research highlights <em>V. articulatum</em> based silver nanoparticles as a promising material for dual application in sensing and biomedical application.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102834"},"PeriodicalIF":4.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145412835","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-01DOI: 10.1016/j.rechem.2025.102837
Fathy Shokry , Moustafa El-Gedawy , Abdulaziz A. Alturki , Shaaban A. Nosier , Hassan A. Farag , Mohamed Helmy Abdel-Aziz
Synthetic dyes, such as methyl violet, are widely used in industrial processes and are resistant to conventional wastewater treatment methods due to their complex molecular structure, toxicity, and persistence in aquatic environments. These pollutants pose significant risks to human health and ecosystems, creating an urgent need for advanced treatment technologies. Developing an efficient, cost-effective, and scalable solution for complete dye degradation remains a critical challenge in wastewater management. This study investigates the performance of a gas-sparging-assisted UV/TiO2 photocatalytic system for the efficient degradation of methyl violet dye in aqueous solutions. The system was optimized using Response Surface Methodology (RSM) for five critical parameters: reaction time, pH, initial dye concentration, catalyst load, and gas velocity. Optimal conditions of 13.6 min reaction time, pH 7, 10.5 mg/L dye concentration, 0.66 g/L catalyst loading, and 1.17 cm/s gas velocity achieved a maximum dye removal efficiency of 91.58 %. Comparative analysis with UV photolysis revealed superior performance of UV/TiO2 photocatalysis, attaining 90.2 % removal in 14 min versus 77.1 % removal in 35 min for photolysis, with significantly reduced energy consumption (0.177 kWh vs. 0.886 kWh) and operating costs ($0.107 vs. $0.483 per gram of dye removed). The enhanced efficiency of UV/TiO2 photocatalysis is attributed to the generation of reactive oxygen species (ROS) and improved mass transfer facilitated by gas sparging. The findings demonstrate the potential of gas sparging-assisted UV/TiO2 photocatalysis as a cost-effective and scalable solution for industrial wastewater treatment, offering higher efficiency, reduced operational costs, and eco-friendly processing.
{"title":"Performance evaluation of gas-sparged photocatalytic reactor for dye wastewater treatment: Parametric optimization and cost analysis","authors":"Fathy Shokry , Moustafa El-Gedawy , Abdulaziz A. Alturki , Shaaban A. Nosier , Hassan A. Farag , Mohamed Helmy Abdel-Aziz","doi":"10.1016/j.rechem.2025.102837","DOIUrl":"10.1016/j.rechem.2025.102837","url":null,"abstract":"<div><div>Synthetic dyes, such as methyl violet, are widely used in industrial processes and are resistant to conventional wastewater treatment methods due to their complex molecular structure, toxicity, and persistence in aquatic environments. These pollutants pose significant risks to human health and ecosystems, creating an urgent need for advanced treatment technologies. Developing an efficient, cost-effective, and scalable solution for complete dye degradation remains a critical challenge in wastewater management. This study investigates the performance of a gas-sparging-assisted UV/TiO<sub>2</sub> photocatalytic system for the efficient degradation of methyl violet dye in aqueous solutions. The system was optimized using Response Surface Methodology (RSM) for five critical parameters: reaction time, pH, initial dye concentration, catalyst load, and gas velocity. Optimal conditions of 13.6 min reaction time, pH 7, 10.5 mg/L dye concentration, 0.66 g/L catalyst loading, and 1.17 cm/s gas velocity achieved a maximum dye removal efficiency of 91.58 %. Comparative analysis with UV photolysis revealed superior performance of UV/TiO<sub>2</sub> photocatalysis, attaining 90.2 % removal in 14 min versus 77.1 % removal in 35 min for photolysis, with significantly reduced energy consumption (0.177 kWh vs. 0.886 kWh) and operating costs ($0.107 vs. $0.483 per gram of dye removed). The enhanced efficiency of UV/TiO<sub>2</sub> photocatalysis is attributed to the generation of reactive oxygen species (ROS) and improved mass transfer facilitated by gas sparging. The findings demonstrate the potential of gas sparging-assisted UV/TiO<sub>2</sub> photocatalysis as a cost-effective and scalable solution for industrial wastewater treatment, offering higher efficiency, reduced operational costs, and eco-friendly processing.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102837"},"PeriodicalIF":4.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145412582","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-01DOI: 10.1016/j.rechem.2025.102774
Sonia Sharma , Parveen Goyal
This research focuses on improving the characteristics of hydroxyapatite (HA) for use in biomedical fields by creating nanoparticles of HA that are substituted with Mn and K through a water-based sol-gel technique. Mn nitrate tetrahydrate and K nitrate served as precursors for Mn2+, K+ ions, respectively, for the partial substitution of Ca2+ ions in the HA structure, and the resulting nanopowders were heated at temperatures ranging from 800 °C to 1200 °C. The materials were analyzed using XRF, TEM, XRD, FTIR, DSC and TGA to examine their structural, morphological, and thermal characteristics. The findings validated effective ionic substitution, with nanoparticle dimensions varying between 6 and 12 nm and enhanced crystallinity was observed at elevated calcination temperatures. XRD analysis revealed that the nanopowders synthesized initially displayed a pure HA phase, whereas calcination resulted in a partial transformation into βtricalcium phosphate, with a maximum of 58.36 % β-TCP content observed at 1200 °C. FTIR spectra confirmed the presence of typical HA bands along with carbonate impurities, whereas Differential scanning calorimeter analyzer and thermogravimetric analysis were used for as-synthesized nanopowders to study thermal behavior. The as- synthesized 2 mol% substituted K hydroxyapatite (2KHA) nanopowder had a smaller size of the crystallite compared to the as-synthesized 2 mol% substituted Mn hydroxyapatite (2MnHA) nanopowders.The Ca/P ratio showed stability (∼0.73), demonstrating structural integrity despite the development of non-stoichiometric compounds. This study emphasizes the potential benefits of substituting Mn and K to enhance the thermal and structural characteristics of HA, indicating the need for further refinement of synthesis conditions and scalable production methods to improve its biocompatibility and mechanical properties for biomedical applications.
{"title":"Sol-gel synthesis of manganese and potassium substituted hydroxyapatite: Characterization and thermal behavior","authors":"Sonia Sharma , Parveen Goyal","doi":"10.1016/j.rechem.2025.102774","DOIUrl":"10.1016/j.rechem.2025.102774","url":null,"abstract":"<div><div>This research focuses on improving the characteristics of hydroxyapatite (HA) for use in biomedical fields by creating nanoparticles of HA that are substituted with Mn and K through a water-based sol-gel technique. Mn nitrate tetrahydrate and K nitrate served as precursors for Mn<sup>2+</sup>, K+ ions, respectively, for the partial substitution of Ca<sup>2+</sup> ions in the HA structure, and the resulting nanopowders were heated at temperatures ranging from 800 °C to 1200 °C. The materials were analyzed using XRF, TEM, XRD, FTIR, DSC and TGA to examine their structural, morphological, and thermal characteristics. The findings validated effective ionic substitution, with nanoparticle dimensions varying between 6 and 12 nm and enhanced crystallinity was observed at elevated calcination temperatures. XRD analysis revealed that the nanopowders synthesized initially displayed a pure HA phase, whereas calcination resulted in a partial transformation into βtricalcium phosphate, with a maximum of 58.36 % β-TCP content observed at 1200 °C. FTIR spectra confirmed the presence of typical HA bands along with carbonate impurities, whereas Differential scanning calorimeter analyzer and thermogravimetric analysis were used for as-synthesized nanopowders to study thermal behavior. The as- synthesized 2 mol% substituted K hydroxyapatite (2KHA) nanopowder had a smaller size of the crystallite compared to the as-synthesized 2 mol% substituted Mn hydroxyapatite (2MnHA) nanopowders.The Ca/P ratio showed stability (∼0.73), demonstrating structural integrity despite the development of non-stoichiometric compounds. This study emphasizes the potential benefits of substituting Mn and K to enhance the thermal and structural characteristics of HA, indicating the need for further refinement of synthesis conditions and scalable production methods to improve its biocompatibility and mechanical properties for biomedical applications.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102774"},"PeriodicalIF":4.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145412722","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-01DOI: 10.1016/j.rechem.2025.102806
Jian Liang , Hao Sun , Yue Gao, Yi Lu, Qiquan Zhou, Zi Zhu, Lei Zhong
Objective
This study aimed to construct a targeted photodynamic synergistic therapy system (T-BOC) based on BiOCl nanosheets conjugated with Trastuzumab and evaluate its therapeutic efficacy and biosafety in vitro as a low-toxicity strategy for HER2-positive breast cancer.
Methods
BiOCl nanosheets were synthesized via hydrothermal methods and characterized for morphology, size, charge, and crystallinity. Trastuzumab conjugation was validated by Cy5.5 labeling and SDS-PAGE. ROS generation was measured via ESR. Cytotoxicity and viability in SK-BR-3 and BT-474 cells were assessed using CCK-8, and PDT efficacy was evaluated via apoptosis assays.
Results
Uniform, two-dimensional BiOCl nanosheets were successfully synthesized and conjugated with Trastuzumab to form T-BOC. Upon light activation, T-BOC exhibited enhanced ROS generation and significant photodynamic cytotoxicity. Cytotoxicity assays indicated minimal toxicity below 100 μg/mL, with cell viability exceeding 90 %, demonstrating good biocompatibility.
Conclusion
The BiOCl-based T-BOC system exhibited excellent in vitro therapeutic efficacy and biosafety, offering a novel strategy for targeted photodynamic therapy in HER2-positive breast cancer. This system holds promise for future personalized and precision treatment of malignant tumors.
{"title":"Construction and in vitro evaluation of a BiOCl-based targeted photodynamic therapy system for HER2-positive breast cancer","authors":"Jian Liang , Hao Sun , Yue Gao, Yi Lu, Qiquan Zhou, Zi Zhu, Lei Zhong","doi":"10.1016/j.rechem.2025.102806","DOIUrl":"10.1016/j.rechem.2025.102806","url":null,"abstract":"<div><h3>Objective</h3><div>This study aimed to construct a targeted photodynamic synergistic therapy system (T-BOC) based on BiOCl nanosheets conjugated with Trastuzumab and evaluate its therapeutic efficacy and biosafety in vitro as a low-toxicity strategy for HER2-positive breast cancer.</div></div><div><h3>Methods</h3><div>BiOCl nanosheets were synthesized via hydrothermal methods and characterized for morphology, size, charge, and crystallinity. Trastuzumab conjugation was validated by Cy5.5 labeling and SDS-PAGE. ROS generation was measured via ESR. Cytotoxicity and viability in SK-BR-3 and BT-474 cells were assessed using CCK-8, and PDT efficacy was evaluated via apoptosis assays.</div></div><div><h3>Results</h3><div>Uniform, two-dimensional BiOCl nanosheets were successfully synthesized and conjugated with Trastuzumab to form T-BOC. Upon light activation, T-BOC exhibited enhanced ROS generation and significant photodynamic cytotoxicity. Cytotoxicity assays indicated minimal toxicity below 100 μg/mL, with cell viability exceeding 90 %, demonstrating good biocompatibility.</div></div><div><h3>Conclusion</h3><div>The BiOCl-based T-BOC system exhibited excellent in vitro therapeutic efficacy and biosafety, offering a novel strategy for targeted photodynamic therapy in HER2-positive breast cancer. This system holds promise for future personalized and precision treatment of malignant tumors.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102806"},"PeriodicalIF":4.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145412724","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Amylose forms V-type inclusion complexes with guest molecules, resulting in resistant starch type 5 (RS5), but the structural and functional properties of these complexes, which simultaneously incorporate lipids and polyphenols in cassava starch are not well understood. This study examined the effects of stearic acid, lauric acid, gallic acid, and quercetin, used individually and in combination, on V-amylose complex formation, crystalline structure, physicochemical properties, and starch fractions of cassava starch. The starch was modified via heat-moisture treatment with 10 % of each compound. The co-application of fatty acids and polyphenols significantly elevated the complexing index from 1.98 % (native starch) to 50.09 % in cassava starch with lauric acid and quercetin, and 47.75 % with stearic acid and quercetin. X-ray diffraction results showed a crystalline transition from A-type to a mixture of A- and V-type patterns, confirming the formation of V-amylose inclusion complexes. Differential scanning calorimetry showed elevated gelatinization temperatures and enthalpy values, suggesting enhanced thermal stability. Fourier-transform infrared spectroscopy detected shifts in absorption bands, supporting the formation of a stabilized tertiary structure. These transformations decreased rapidly digestible starch (RDS) and increased the slow digestible starch (SDS) and RS fractions. The combination of stearic acid and quercetin exhibited the most prominent synergistic impact, producing the lowest RDS (64.13 %) and the highest RS levels (6.88 %). These results highlight the potential of amylose–lipid–phenolic complexation as an effective strategy to enhance RS5 formation and improve the functional quality of cassava starch.
{"title":"Improving resistant starch formation in cassava starch through v-amylose complexation with fatty acids and phenolic compounds","authors":"Annisa Fitriati , Treechada Utaida , Pakkawat Detchewa , Anuchita Moongngarm","doi":"10.1016/j.rechem.2025.102866","DOIUrl":"10.1016/j.rechem.2025.102866","url":null,"abstract":"<div><div>Amylose forms V-type inclusion complexes with guest molecules, resulting in resistant starch type 5 (RS5), but the structural and functional properties of these complexes, which simultaneously incorporate lipids and polyphenols in cassava starch are not well understood. This study examined the effects of stearic acid, lauric acid, gallic acid, and quercetin, used individually and in combination, on V-amylose complex formation, crystalline structure, physicochemical properties, and starch fractions of cassava starch. The starch was modified via heat-moisture treatment with 10 % of each compound. The <em>co</em>-application of fatty acids and polyphenols significantly elevated the complexing index from 1.98 % (native starch) to 50.09 % in cassava starch with lauric acid and quercetin, and 47.75 % with stearic acid and quercetin. X-ray diffraction results showed a crystalline transition from A-type to a mixture of A- and V-type patterns, confirming the formation of V-amylose inclusion complexes. Differential scanning calorimetry showed elevated gelatinization temperatures and enthalpy values, suggesting enhanced thermal stability. Fourier-transform infrared spectroscopy detected shifts in absorption bands, supporting the formation of a stabilized tertiary structure. These transformations decreased rapidly digestible starch (RDS) and increased the slow digestible starch (SDS) and RS fractions. The combination of stearic acid and quercetin exhibited the most prominent synergistic impact, producing the lowest RDS (64.13 %) and the highest RS levels (6.88 %). These results highlight the potential of amylose–lipid–phenolic complexation as an effective strategy to enhance RS5 formation and improve the functional quality of cassava starch.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102866"},"PeriodicalIF":4.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145516335","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-01DOI: 10.1016/j.rechem.2025.102800
Swapna Maarepalli , Savita Belwal , P. Muralidhar Reddy , Suman , Sailam Sri Gogula
A new series of thiazole–pyrazine–thiadiazole-based amide derivatives (13a–13j) were designed, synthesized and evaluated for their anticancer activityagainst breast (MCF-7), lung (A549), colon (Colo-205), and ovarian (A2780) cell lines by using the MTT assay method with etoposide as a standard drug, Among them, compound 13a, bearing a 3,4,5-trimethoxy substituent on the aryl ring connected to the amide moiety showed potent anticancer activity against MCF-7, A549, Colo-205 and A2780 cell lines with IC50 values of 0.01 ± 0.0072 μM, 0.12 ± 0.043 μM, 0.17 ± 0.062 μM, and 0.22 ± 0.059 μM. The interactions collectively contribute to the binding and stability of the molecule 13a within the MAPK kinase binding site with dock score − 8.48 kcal/mol.
{"title":"In silico studies and anticancer evaluation of thiazole–pyrazine–thiadiazole amide derivatives: Synthesis, cytotoxic screening, and molecular insights","authors":"Swapna Maarepalli , Savita Belwal , P. Muralidhar Reddy , Suman , Sailam Sri Gogula","doi":"10.1016/j.rechem.2025.102800","DOIUrl":"10.1016/j.rechem.2025.102800","url":null,"abstract":"<div><div>A new series of thiazole–pyrazine–thiadiazole-based amide derivatives (<strong>13a–13j</strong>) were designed, synthesized and evaluated for their anticancer activityagainst breast (MCF-7), lung (A549), colon (Colo-205), and ovarian (A2780) cell lines by using the MTT assay method with etoposide as a standard drug, Among them, compound <strong>13a</strong>, bearing a 3,4,5-trimethoxy substituent on the aryl ring connected to the amide moiety showed potent anticancer activity against MCF-7, A549, Colo-205 and A2780 cell lines with IC<sub>50</sub> values of 0.01 ± 0.0072 μM, 0.12 ± 0.043 μM, 0.17 ± 0.062 μM, and 0.22 ± 0.059 μM. The interactions collectively contribute to the binding and stability of the molecule <strong>13a</strong> within the MAPK kinase binding site with dock score − 8.48 kcal/mol.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102800"},"PeriodicalIF":4.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145462741","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A novel series of sulphonamido-benzothiazole (12a-j) derivatives were designed and synthesized. All compounds were determined by (Sireesha et al., 20231)HNMR, Bandaru et al. (2022)13CNMR and mass spectral analysis. Further, all compounds were screened for their anticancer activities against a panel of human cancer cell lines like breast (MCF-7, MDA MB-231), lung (A549) and prostate (DU-145) human cancer cell lines by using the MTT assay, and etoposide was used as a reference drug. Most of the compounds showed moderate to good anticancer activity on cell lines and were compared to the clinical drug as etoposide. The compounds that showed IC50 values ranging from 0.012 ± 0.0044 μM to 12.7 ± 5.38 μM, and the etoposide exhibited 1.91 ± 0.84 μM to 3.08 ± 0.135 μM. Among the developed compounds, six compounds 20a, 20b, 20c, 20g, 20i and 20j displayed significant anticancer activities on cell lines to compare with etoposide.
设计并合成了一系列新的磺酰胺-苯并噻唑（12a-j）衍生物。所有化合物均通过（Sireesha et al., 20231）HNMR, Bandaru et al. (2022)13CNMR和质谱分析测定。此外，采用MTT法对乳腺癌（MCF-7, MDA MB-231）、肺癌（A549）和前列腺（DU-145）等人癌细胞系进行了抗肿瘤活性筛选，并以依托opo苷作为对照药物。大多数化合物在细胞系上表现出中等至良好的抗癌活性，并与临床药物依托泊苷进行了比较。化合物的IC50值为0.012±0.0044 μM ~ 12.7±5.38 μM，依托泊苷的IC50值为1.91±0.84 μM ~ 3.08±0.135 μM。其中，化合物20a、20b、20c、20g、20i和20j对细胞具有较强的抗肿瘤活性。
{"title":"Design, synthesis and anticancer evaluation of some benzothiazole- sulphonamide hybrids","authors":"Karunakar Chidella , Nareshvarma Seelam , Sushmitha Bujji , Radhakrishna Muniganti , Somaiah Nalla , N. Jagannadha Reddy","doi":"10.1016/j.rechem.2025.102817","DOIUrl":"10.1016/j.rechem.2025.102817","url":null,"abstract":"<div><div>A novel series of sulphonamido-benzothiazole (<strong>12a-j</strong>) derivatives were designed and synthesized. All compounds were determined by (Sireesha et al., 2023<sup>1)</sup>HNMR, Bandaru et al. (2022)<sup>13</sup>CNMR and mass spectral analysis. Further, all compounds were screened for their anticancer activities against a panel of human cancer cell lines like breast (MCF-7, MDA MB-231), lung (A549) and prostate (DU-145) human cancer cell lines by using the MTT assay, and etoposide was used as a reference drug. Most of the compounds showed moderate to good anticancer activity on cell lines and were compared to the clinical drug as etoposide. The compounds that showed IC<sub>50</sub> values ranging from 0.012 ± 0.0044 μM to 12.7 ± 5.38 μM, and the etoposide exhibited 1.91 ± 0.84 μM to 3.08 ± 0.135 μM. Among the developed compounds, six compounds <strong>20a, 20b, 20c, 20</strong> <strong>g, 20i</strong> and <strong>20j</strong> displayed significant anticancer activities on cell lines to compare with etoposide.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102817"},"PeriodicalIF":4.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145462830","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The escalating levels of CO₂ in the atmosphere have heightened global environmental concerns, necessitating the deployment of efficient and scalable carbon extraction strategies. Among emerging methods, direct air capture (DAC) stands out as a viable approach. This research introduces a novel DAC configuration tailored to enhance the efficiency of enhanced oil recovery (EOR). The DAC system was modeled using Aspen Plus V11, employing a hydroxide-to‑carbonate conversion pathway for CO₂ absorption. As part of broader carbon management efforts, Carbon Capture, Utilization, and Storage (CCUS) plays a pivotal role in curbing emissions, particularly through its application in subsurface oil recovery processes.
To assess and forecast the impact of DAC-sourced CO₂ on EOR performance in Abadan, a suite of Machine learning techniques was applied. These included XGBoost, Random Forest, Gradient Boosting, Support Vector Regression, Linear Regression, k-Nearest Neighbors, Bagging, and Stacking. Among the models tested, the Decision Tree algorithm demonstrated the highest predictive capability, yielding an R2 score of 0.87. It effectively estimated a growth in EOR efficiency from 19 % to approximately 21.3 %.
大气中不断上升的二氧化碳水平加剧了全球对环境的担忧，因此有必要部署高效且可扩展的碳提取策略。在新兴的方法中，直接空气捕获（DAC）作为一种可行的方法脱颖而出。本研究介绍了一种新的DAC配置，旨在提高提高采收率（EOR）的效率。DAC系统使用Aspen Plus V11进行建模，采用氢氧化物-碳酸盐转化途径吸收CO₂。作为碳管理工作的一部分，碳捕集、利用和封存（CCUS）在控制排放方面发挥着关键作用，特别是在地下采油过程中的应用。为了评估和预测二氧化碳对Abadan油田EOR性能的影响，应用了一套机器学习技术。这些包括XGBoost，随机森林，梯度增强，支持向量回归，线性回归，k近邻，Bagging和堆叠。在测试的模型中，决策树算法的预测能力最高，R2得分为0.87。它有效地估计了EOR效率从19%提高到21.3%左右。
{"title":"Machine learning–enabled optimization of a direct air capture system integrated with enhanced oil recovery","authors":"Farzin Hosseinifard , Shahabeddin Ghasemzadeh , Mohsen Salimi , Majid Amidpour","doi":"10.1016/j.rechem.2025.102836","DOIUrl":"10.1016/j.rechem.2025.102836","url":null,"abstract":"<div><div>The escalating levels of CO₂ in the atmosphere have heightened global environmental concerns, necessitating the deployment of efficient and scalable carbon extraction strategies. Among emerging methods, direct air capture (DAC) stands out as a viable approach. This research introduces a novel DAC configuration tailored to enhance the efficiency of enhanced oil recovery (EOR). The DAC system was modeled using Aspen Plus V11, employing a hydroxide-to‑carbonate conversion pathway for CO₂ absorption. As part of broader carbon management efforts, Carbon Capture, Utilization, and Storage (CCUS) plays a pivotal role in curbing emissions, particularly through its application in subsurface oil recovery processes.</div><div>To assess and forecast the impact of DAC-sourced CO₂ on EOR performance in Abadan, a suite of Machine learning techniques was applied. These included XGBoost, Random Forest, Gradient Boosting, Support Vector Regression, Linear Regression, k-Nearest Neighbors, Bagging, and Stacking. Among the models tested, the Decision Tree algorithm demonstrated the highest predictive capability, yielding an R<sup>2</sup> score of 0.87. It effectively estimated a growth in EOR efficiency from 19 % to approximately 21.3 %.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102836"},"PeriodicalIF":4.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145462837","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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