Chemical Papers最新文献

{"title":"Smartphone-assisted biosensors in point-of-care diagnostics: integration, applications, and future challenges","authors":"Haluk Çelik,&nbsp;Balım Bengisu Caf,&nbsp;Gizem Çebi","doi":"10.1007/s11696-025-04319-7","DOIUrl":"10.1007/s11696-025-04319-7","url":null,"abstract":"<div><p>Point-of-care (POC) diagnostics is being revolutionized by smartphone-assisted biosensors, which combine cutting-edge sensing technologies with the computing power and connectivity of smartphones. These biosensors provide a portable and affordable substitute for conventional laboratory-based diagnostics by enabling the quick, real-time analysis of physiological parameters and biomarkers. Smartphone-assisted biosensors enable continuous health monitoring, enhanced patient engagement, and early disease detection by utilizing optical, electrochemical, and biomarker-based detection techniques. The development of smartphone-assisted biosensing platforms is reviewed in this article, along with their technological integration, detection methods, and medical applications. Sensor accuracy, data security, regulatory approval, and standardization continue to be challenges despite the progress. The impact of recent advancements on infectious disease management, chronic disease monitoring, and personalized medicine is highlighted in this review, which critically assesses wearable biosensors, AI-driven analytics, and smartphone-integrated disease detection systems.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"79 11","pages":"7323 - 7342"},"PeriodicalIF":2.5,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145284182","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":"Recent advancements in the synthesis of bithiazole and its derivatives for versatile medicinal applications","authors":"Yogita K. Abhale,&nbsp;Kajalben Patel,&nbsp;Mamta Patil,&nbsp;Pravin C. Mhaske,&nbsp;Majid Jabir,&nbsp;Suresh Ghotekar","doi":"10.1007/s11696-025-04312-0","DOIUrl":"10.1007/s11696-025-04312-0","url":null,"abstract":"<div><p>Directly connected 1,3-azoles are identified as sub-structures in significant naturally occurring compounds with intriguing structures as well as interesting biological activities. Amidst them, bithiazole (BT) is an uncommon structural feature of many potent naturally and biologically active compounds with diversified therapeutic efficacy. BT-based organic moieties have strengthened the efficiency of solar devices and are a promising source of light harvesting. Also, BT-based medicinal chemistry is rapidly expanding and increasing activity due to associated research and advancements. To date, no review article has explored the captivating pharmacological potential of BT as a core structure. This review marks the author’s pioneering effort to conduct a critical analysis of both the synthesis and medicinal properties of BT derivatives. The aim is to underscore this heterocyclic compound’s profound significance and practical utility in the drug discovery continuum. An overview of natural compounds containing BT, several synthesis methods, and the biological activities of some novel derivatives of the BT moiety are presented in this report.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"79 11","pages":"7269 - 7298"},"PeriodicalIF":2.5,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145284183","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":"Exploring the antimicrobial, genotoxic, and anticancer potential of novel dihydropyrimidinones synthesized via Biginelli reaction: an integrated in vitro and in silico study","authors":"L. Benazir Ali,&nbsp;A. Subramani,&nbsp;H. Thajudeen,&nbsp;T. K. Shabeer,&nbsp;P. Saravanan","doi":"10.1007/s11696-025-04297-w","DOIUrl":"10.1007/s11696-025-04297-w","url":null,"abstract":"<div><p>Dihydropyrimidin-2(1H)-ones (DHPMs) have garnered significant attention in synthetic and medicinal organic chemistry because of their remarkable biological and therapeutic potential. In this study, DHPM derivatives were synthesized using the Biginelli reaction starting from bisdialdehyde to identify potential lead compounds. The predicted lipophilicity values of the synthesized DHPMs were in the range 2.77- 4.3. Log Po/w indicates the drug-likeness properties of the synthesized compounds. Structural confirmation was achieved through advanced spectroscopic techniques. DHPMs 7 and 9 demonstrated strong antimicrobial activity, effectively targeting a wide range of microbes. Molecular modeling further revealed that DHPM 9 exhibited a notable docking score of -8.161 kcal/mol, indicating a high binding affinity for VEGFR-2 kinase. According to HOMO and LUMO studies, DHPM 1 is the most stable of the DHPMs (ΔE = 4.838 eV), while DHPM 9 is the most reactive with the smallest energy gap (ΔE = 3.677 eV). The anticancer potentials of synthesized were evaluated using A549 lung cancer cell. The work highlights significant cytotoxic effects on A549 cells with IC50 values of 1.56 μg/mL. The genotoxicity assay is performed using agarose gel electrophoresis, which is an appropriate method for assessing mutagenic potential. The results indicate that compound 7 exhibits moderate genotoxic potential at 125 μg /ml. DHPM 9 exhibits strong activity against <i>Enterococcus faecalis</i>, with an MIC range of 6.30 μg/mL, and is chemically more reactive than the other compounds, which is consistent with the strongest anticancer and antimicrobial activity values. DHPMs 7 and 9 stood out with the highest cumulative release percentages at the final time point (68.54–74.85%), showcasing their efficient delivery capabilities. The research aims to contribute to public health by evaluating the biological effects and therapeutic potentials of the synthesized compounds.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"79 11","pages":"7939 - 7965"},"PeriodicalIF":2.5,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145284270","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":"Tunisian date seed for removal of Alizarine Red S contained in wastewater: Box–Behnken design and modeling","authors":"Asma Abdedayem,&nbsp;Takwa Tabbassi,&nbsp;Amor Hafiane,&nbsp;Mustapha Hidouri","doi":"10.1007/s11696-025-04302-2","DOIUrl":"10.1007/s11696-025-04302-2","url":null,"abstract":"<div><p>Tunisian date seed (TDS) powder was selected as a bioadsorbent material for eliminating Alizarin Red S (ARS) from wastewater. The Box–Behnken design (BBD) response surface methodology (RSM) was used to analyze various factors, including ARS concentration, pH, and adsorbent mass, to optimize the adsorption process. The resulting model proved highly effective in determining the optimal conditions for ARS removal, achieving a maximum adsorption capacity of 24.57 mg g⁻¹. The use of TDS as an adsorbent demonstrated excellent efficiency in treating wastewater containing high concentrations of ARS. Thermodynamic analysis revealed that the adsorption process is non-spontaneous, exothermic, and occurs in an organized manner. Additionally, several kinetic models were evaluated to determine the adsorption kinetics, with the pseudo-second-order model showing the best correlation with experimental data. For thermodynamic modeling, various isotherm models were tested, and the Langmuir–Freundlich model was identified as the most suitable for accurately describing the experimental isotherms. The optimal conditions determined using response surface methodology (RSM) were pH = 6.14, ARS concentration of 200 mg L⁻¹, and adsorbent mass of 0.21 g.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"79 11","pages":"8009 - 8024"},"PeriodicalIF":2.5,"publicationDate":"2025-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145284474","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":"Design space optimization for the extraction of anti-thrombin-rich phenolics and flavonoids from Justicia adhatoda L. using response surface methodology and in silico validation of their anti-thrombin activity","authors":"Annika Maria Paul,&nbsp;Anish Nag,&nbsp;Vidya Niranjan,&nbsp;S. Pooja","doi":"10.1007/s11696-025-04296-x","DOIUrl":"10.1007/s11696-025-04296-x","url":null,"abstract":"<div><p>The study focused on optimizing the extraction of anti-thrombin phenolics and flavonoids from the stem and flower of <i>Justicia adhatoda</i> (JA) using response surface methodology (RSM). Key factors utilized for the optimization included HCl concentration (0.1–1 N), extract concentration (50–150 mg/mL), methanol proportion (0–100%), and incubation temperature (32 ± 2 °C for hot and 6 ± 2 °C for cold). Fluorescence microscopy identified plant parts enriched with pharmacologically active compounds. The optimized extracts demonstrated substantial levels of phenolics, flavonoids and thrombin inhibitory activity across all samples. Antioxidant activity was measured using the DPPH and ABTS radical scavenging assays. Furthermore, multivariate optimization enhanced the antioxidant properties of the extracts. LC–MS analysis of the optimized extracts from JA (stem and flower) identified the presence of 22 compounds, with anti-thrombin polyphenols and flavonoids predominating, constituting approximately 30% and 35%, respectively. I<i>n silico</i> studies, including molecular docking and dynamic simulations, revealed that the flavonoid Naringenin (−4.868 kcal mol⁻¹) had a higher inhibitory potential against the thrombin protein compared to the reference drug Dabigatran (−4.269 kcal mol⁻¹). This study demonstrated that flavonoids with significant anti-thrombin activity can be effectively extracted from <i>J. adhatoda</i> stem and flower using this optimized extraction procedure.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"79 11","pages":"7917 - 7937"},"PeriodicalIF":2.5,"publicationDate":"2025-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145284439","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":"Adsorption and electrochemical performance in Magnesium ion batteries on AlB monolayer: A DFT study","authors":"Narinderjit Singh Sawaran Singh,&nbsp;Thanaa Amir Ahmed,&nbsp;Shaxnoza Saydaxmetova,&nbsp;Ahmed Aldulaimi,&nbsp;Jameel M. A. Sulaiman,&nbsp;Rafid Jihad Albadr,&nbsp;Waam Mohammed Taher,&nbsp;Mariem Alwan,&nbsp;Hiba Mushtaq,&nbsp;Aseel Smerat,&nbsp;Mohammed Akbar","doi":"10.1007/s11696-025-04299-8","DOIUrl":"10.1007/s11696-025-04299-8","url":null,"abstract":"<div><p>Magnesium ion batteries (MgIBs) are regarded crucial in meeting the energy demands of the future, and computational simulations have the potential to significantly expedite the search for improved technologies. The material features of the electrodes are key factors in ensuring the efficient performance of MgIBs. Within this piece of research, the viability of utilizing the two-dimensional AlB monolayer (AlBML) as the electrode material for Mg ions was investigated through first-principles calculations. The findings revealed that the storage capacity of AlBML for Mg ions surpasses that a lot of previously fabricated negative electrodes, reaching approximately 795.26 mAh g⁻¹. Moreover, the migration barriers for Mg ions within the AlBML were calculated to be 0.114 eV, indicating the potential for rapid charging and discharging. These results suggest that AlBML could serve as a promising cathode material for MgIBs, warranting further theoretical and experimental exploration.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"79 11","pages":"7979 - 7986"},"PeriodicalIF":2.5,"publicationDate":"2025-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145284258","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":"Preparation of SO3H, Cl and Cr3+ functionalized carbon C (Cr, Cl, S): a recyclable multifunctional catalyst for efficient glucose conversion to 5-hydroxymethylfurfural","authors":"Molood Falsafin,&nbsp;Kamal Ghani,&nbsp;Arash Shokrollahi","doi":"10.1007/s11696-025-04298-9","DOIUrl":"10.1007/s11696-025-04298-9","url":null,"abstract":"<div><p>Hydroxymethylfurfural (HMF) is a pivotal renewable platform chemical for synthesizing high-value derivatives. While the production of HMF from biomass has garnered significant interest, optimizing the trade-offs among production costs, energy efficiency, and environmental impact remains a critical challenge. The catalytic conversion of glucose to HMF using carbon-based solid acid catalysts offers a sustainable and efficient route for producing this strategic platform molecule. In this study, a novel catalyst, C (Cr, Cl, S), was synthesized via sulfonation of co-carbonized starch and polyvinyl chloride (PVC) in the presence of chromium (III) chloride (CrCl₃). The catalyst features both Brønsted acid (–SO₃H) and Lewis acid (Cr³⁺) sites, which synergistically promote glucose isomerization to fructose and subsequent fructose dehydration to HMF. Notably, the –Cl groups enhance glucose adsorption by strongly interacting with its –OH groups, thereby stretching the carbon framework and reducing steric hindrance between the substrate and catalyst. The C (Cr, Cl, S) catalyst was thoroughly characterized by XPS, FE-SEM, EDS, and FT-IR. XPS analysis confirmed the presence of key functional groups, with binding energies at C 1<i>s</i> (284.6 eV), O 1<i>s</i> (532.1 eV), Cl 2<i>p</i> (200.1 eV), Cr 2<i>p</i> (575.5 eV), and S 2<i>p</i> (168.4 eV), corresponding to Lewis acid sites (Cr³⁺), Brønsted acid sites (–SO₃H), and binding sites (–Cl). EDX quantification revealed elemental compositions of Cr (7.47%), Cl (3.30%), and S (5.11%). Under optimized conditions, the catalyst achieved an exceptional HMF yield of 88% (quantified by UV–Vis spectroscopy), demonstrating its potential for scalable biomass conversion.</p><h3>Graphical abstract</h3><p>The conversion of glucose to HMF using the C (Cr, Cl, S) multifunctional solid catalyst involves two active sites: the Lewis acid site (Cr cation) facilitates the isomerization of glucose to fructose, while the Brønsted acid site (SO₃H group) promotes the dehydration of fructose to HMF. Additionally, the –Cl group forms a hydrogen bond with glucose, enhancing the HMF production rate.</p>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"79 11","pages":"7967 - 7978"},"PeriodicalIF":2.5,"publicationDate":"2025-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145284199","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":"Adsorption and desorption characteristics of epigallocatechin-3-gallate from discarded green tea leaves on macroporous resin","authors":"Basak Bilcanoglu Cagan,&nbsp;Huseyin Karakaya,&nbsp;Murat Yilmaztekin","doi":"10.1007/s11696-025-04305-z","DOIUrl":"10.1007/s11696-025-04305-z","url":null,"abstract":"<div><p>Green tea (<i>Camellia sinensis</i>) is intensely consumed all over the world and tea leaves discarded from production are a rich source of catechins, especially epigallocatechin-3-gallate (EGCG). This study aimed to perform preparative separation of EGCG from green tea waste by using macroporous resin and to reveal adsorption and desorption characteristics. Nine types of resins were compared for their adsorption and desorption capacities and desorption rate of EGCG, and NKA-2 was found the most suitable resin for the purpose. Adsorption isotherms were evaluated at 25 °C, 35 °C and 45 °C. Experimental data were well described with pseudo-second-order kinetics model and fitted best to the Langmuir model in tested temperatures. In dynamic separation process, 83% of adsorbed EGCG was recovered from the resin by using 70% ethanol. It has been thought that using macroporous resin can be an effective way of EGCG separation from green tea waste for commercial purposes.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"79 11","pages":"8055 - 8065"},"PeriodicalIF":2.5,"publicationDate":"2025-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145284196","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":"Investigating topological indices and heat of formation for hemihexaphyrazine using a curve fitting approach","authors":"Iqra Siddique,&nbsp;Sarfraz Ahmad,&nbsp;Muhammad Kamran Siddiqui","doi":"10.1007/s11696-025-04304-0","DOIUrl":"10.1007/s11696-025-04304-0","url":null,"abstract":"<div><p>This paper delves into the intricate relationship between the hemihexaphyrazine (<i>HHP</i>) network and its connection to topological indices and the heat of formation. By analyzing a variety of topological indices, we utilize a curve fitting model to predict and clarify the heat of formation–a vital thermodynamic factor that impacts the stability and reactivity of <i>HHP</i>. Through a detailed correlation analysis, we uncover significant trends and relationships linking the heat of formation with topological indices like the Gutman, Randić, and Zagreb indices. We have found that the curve fitting model not only allows us to predict the results with high accuracy (the values of <span>(R^2)</span> are above 0.98 in some cases) but also helps us to get a better idea about the molecular interactions within the <i>HHP</i> network. The reverse redefined Zagreb indices have been found to be the most predictively reliable of the tested ones. In addition, enthalpy measures were calculated in relation to each index, as a way to understand the complexity of structure, and showed steadfast growth trends in line with the growth of a network. These analyses illustrate the accuracy with which thermodynamic properties have been reproduced using the model; it outlines the relevance that topological descriptors have received in computational chemistry so far. By analyzing these results, several insights were obtained into the energetic behavior of hemihexaphyrazine network and are pointed out with respect to which role graph theoretical approaches so far played for the development of material science and chemical engineering.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"79 11","pages":"8035 - 8054"},"PeriodicalIF":2.5,"publicationDate":"2025-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145284197","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 multifunctional cotton textile with hydrophobic and antimicrobial properties using STPP-crosslinked chitosan/guar gum coatings","authors":"Aminu Abdullahi,&nbsp;Tarangini Korumilli,&nbsp;K. Jagajjanani Rao","doi":"10.1007/s11696-025-04303-1","DOIUrl":"10.1007/s11696-025-04303-1","url":null,"abstract":"<div><p>In this research work, a biobased coating solution was developed based on chitosan (CS) and guar gum (GG) crosslinked with sodium tripolyphosphate (STPP) to introduce water-repellent and functional properties to cotton textiles. The coating blend was developed to contain 1% chitosan, 1.5% guar gum, 0.09% STPP, and 1.5% glycerol. The cotton textiles were treated using a dip-coating technique followed by drying at ambient temperature. FTIR and SEM analysis has affirmed the successful deposition of the coating solution on the textile surface. The coated textile exhibited significant hydrophobicity, as evidenced by a water contact angle values of 130.4 ± 1.3°. Hydrophobic property was retained (with contact angle values of 98.6 ± 0.4˚) after fourteen (14) washing cycle with water. The coating slight reduction in mechanical properties of the coated cotton textile sample was observed compared to the uncoated sample. Furthermore, the treated textiles exhibited inhibition zones of 16.7 ± 1 mm against <i>S. aureus</i> and 10.6 ± 0.1 mm against <i>C. albicans,</i> indicating significant antimicrobial efficacy. These findings underscore the potential of chitosan/guar gum-based composite coatings for the development of advanced cotton textile with enhanced functional properties, suitable for a broad spectrum of applications.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"79 11","pages":"8025 - 8033"},"PeriodicalIF":2.5,"publicationDate":"2025-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145284195","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}