Pub Date : 2026-03-01Epub Date: 2026-01-18DOI: 10.1016/j.rechem.2026.103039
Mohamed A. Hassan, Abdulrahman M.AlMutairi, Saud N.AlFadhli, Salman S. AlOtaibi, Mohammed S. Alhussin, Sami Al Saeed
The main component of dry chemical extinguishing powder is mono-ammonium phosphate (MAP). The fire suppression efficiency depends on the content of MAP in the dry powder. In relation to safety and quality of use of dry chemical extinguishing powder, it is important to measure the content of MAP in relation to the other components. The ISO 7202 applies manual acid-base titration using a pH meter to detect the equivalence point and consequently determine the MAP content in dry chemical extinguishing powder. In this method, it is hard to detect the equivalence point, which leads to errors in measuring the MAP content reaching 24%. The new analytical method developed in this research work is based on automatic potentiometric titration and an accurate way of detecting the equivalence point without using any buffering media (KCl). The use of KCl as a buffering medium leads to a large error (−12%) in measuring MAP content compared to not using KCl (−2.4%). The calibration curve for measuring MAP concentration shows the linearity of the method with an R square equal to 0.999. The limit of detection of the new method is 0.04% of MAP.
{"title":"NEW and accurate analytical method for measuring mono-ammonium phosphate content in dry chemical extinguishing powder (part I)","authors":"Mohamed A. Hassan, Abdulrahman M.AlMutairi, Saud N.AlFadhli, Salman S. AlOtaibi, Mohammed S. Alhussin, Sami Al Saeed","doi":"10.1016/j.rechem.2026.103039","DOIUrl":"10.1016/j.rechem.2026.103039","url":null,"abstract":"<div><div>The main component of dry chemical extinguishing powder is mono-ammonium phosphate (MAP). The fire suppression efficiency depends on the content of MAP in the dry powder. In relation to safety and quality of use of dry chemical extinguishing powder, it is important to measure the content of MAP in relation to the other components. The ISO 7202 applies manual acid-base titration using a pH meter to detect the equivalence point and consequently determine the MAP content in dry chemical extinguishing powder. In this method, it is hard to detect the equivalence point, which leads to errors in measuring the MAP content reaching 24%. The new analytical method developed in this research work is based on automatic potentiometric titration and an accurate way of detecting the equivalence point without using any buffering media (KCl). The use of KCl as a buffering medium leads to a large error (−12%) in measuring MAP content compared to not using KCl (−2.4%). The calibration curve for measuring MAP concentration shows the linearity of the method with an R square equal to 0.999. The limit of detection of the new method is 0.04% of MAP.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"21 ","pages":"Article 103039"},"PeriodicalIF":4.2,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146036351","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 : 2026-03-01Epub Date: 2026-01-22DOI: 10.1016/j.rechem.2026.103077
Jiajia Xiao , Yingying Mei , Xixiang Yi , Guangmou Zhang , Huanzhao Lin , Jinjin Zhang , Yuan Qin , Chang An
Ligusticum chuanxiong Hort. is a widely used medicinal and edible plant in China. Its rhizome, Chuanxiong Rhizome (CR), is commonly employed in traditional Chinese medicine to promote blood circulation and alleviate blood stasis, especially in thrombotic diseases. However, the lack of scientific evidence supporting the determination of its optimal harvest time has hindered the development of standardized harvesting guidelines. In this study, the optimal harvest window of CR and its quality control markers (QCMs) were investigated. The antiplatelet aggregation biopotency (AAB) of CR collected at different harvest times was evaluated using a parallel-line assay. Metabolite profiling was conducted via UPLC-Q-TOF-MS/MS, and partial least squares regression was used to identify QCMs based on correlations between AAB and phytochemical composition. Molecular docking was applied to predict interactions between QCMs and antiplatelet-related targets, and a UPLC method was established for quantitative analysis. The optimal harvest period was determined to be from May 17th to May 22nd. Five QCMs were identified: ferulic acid, senkyunolide I, senkyunolide H, senkyunolide A, and Z-ligustilide. Ferulic acid exhibited a negative correlation with AAB, while the other four compounds showed positive correlations. Molecular docking revealed distinct target-binding profiles among QCMs. Harvest time had the greatest impact on the content of ferulic acid, senkyunolide H, and senkyunolide A, followed by senkyunolide I and Z-ligustilide. Except for Z-ligustilide, the other four compounds showed regular temporal variation, and the curve-fitting results followed the order: senkyunolide H > senkyunolide I > senkyunolide A > ferulic acid. Furthermore, Z-ligustilide, senkyunolide A, and ferulic acid were primarily affected by other QCMs in the rhizome, whereas senkyunolide I and senkyunolide H were influenced by compounds in both the rhizome and aerial parts. These findings provide a scientific basis for the quality evaluation and standardized harvesting of CR.
{"title":"Bioactivity-guided identification of quality control markers in Chuanxiong Rhizome at its optimal harvest period","authors":"Jiajia Xiao , Yingying Mei , Xixiang Yi , Guangmou Zhang , Huanzhao Lin , Jinjin Zhang , Yuan Qin , Chang An","doi":"10.1016/j.rechem.2026.103077","DOIUrl":"10.1016/j.rechem.2026.103077","url":null,"abstract":"<div><div><em>Ligusticum chuanxiong</em> Hort. is a widely used medicinal and edible plant in China. Its rhizome, <em>Chuanxiong Rhizome</em> (CR), is commonly employed in traditional Chinese medicine to promote blood circulation and alleviate blood stasis, especially in thrombotic diseases. However, the lack of scientific evidence supporting the determination of its optimal harvest time has hindered the development of standardized harvesting guidelines. In this study, the optimal harvest window of CR and its quality control markers (QCMs) were investigated. The antiplatelet aggregation biopotency (AAB) of CR collected at different harvest times was evaluated using a parallel-line assay. Metabolite profiling was conducted via UPLC-Q-TOF-MS/MS, and partial least squares regression was used to identify QCMs based on correlations between AAB and phytochemical composition. Molecular docking was applied to predict interactions between QCMs and antiplatelet-related targets, and a UPLC method was established for quantitative analysis. The optimal harvest period was determined to be from May 17th to May 22nd. Five QCMs were identified: ferulic acid, senkyunolide I, senkyunolide H, senkyunolide A, and <em>Z</em>-ligustilide. Ferulic acid exhibited a negative correlation with AAB, while the other four compounds showed positive correlations. Molecular docking revealed distinct target-binding profiles among QCMs. Harvest time had the greatest impact on the content of ferulic acid, senkyunolide H, and senkyunolide A, followed by senkyunolide I and <em>Z</em>-ligustilide. Except for Z-ligustilide, the other four compounds showed regular temporal variation, and the curve-fitting results followed the order: senkyunolide H > senkyunolide I > senkyunolide A > ferulic acid. Furthermore, <em>Z</em>-ligustilide, senkyunolide A, and ferulic acid were primarily affected by other QCMs in the rhizome, whereas senkyunolide I and senkyunolide H were influenced by compounds in both the rhizome and aerial parts. These findings provide a scientific basis for the quality evaluation and standardized harvesting of CR.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"21 ","pages":"Article 103077"},"PeriodicalIF":4.2,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146036353","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 : 2026-03-01Epub Date: 2026-01-20DOI: 10.1016/j.rechem.2026.103080
R. Karthick , G. Velraj , Ramesh Kumar Raji , A. Karuppusamy , S. Karthikeyan , Naser Qamhieh , Fathalla Hamed
Diethyl 4-(4-(9H-carbazol-9-yl)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (DHPC) is a novel compound with potential pharmacological and biomedical applications. Its unique structural features and electronic properties make it a promising candidate for drug discovery and molecular interaction studies. This novel compound, DHPC was synthesized using the classical Hantzsch route. Comprehensive experimental and theoretical studies were conducted to investigate its structural, vibrational, NMR, and electronic properties. Density Functional Theory (DFT) calculations employing the B3LYP exchange-correlation functional were used to correlate molecular and structural characteristics. The electronic properties of DHPC, including the energy band gap between the HOMO-LUMO orbitals, were calculated using TD-DFT/B3LYP/6–311++G(d,p) basis set. Natural Bond Orbital (NBO) analysis was performed to evaluate the compound's strength and stability. The 1H NMR and 13C NMR spectra were investigated using the Gauge-Independent Atomic Orbital (GIAO) method, with tetramethylsilane (TMS) as a reference. Global reactivity parameters such as Fukui functions, and the molecular electrostatic potential (MEP) map were employed to identify reactive sites within the compound. These DFT-derived electronic and structural insights contribute to understanding the potential pharmacological actions of DHPC. Further, molecular docking analysis was performed to identify the binding interactions of the ligand with target proteins, revealing the possible binding sites. The stability and dynamics of the protein-ligand complex were assessed through molecular dynamics simulations. These integrated studies provide a robust framework for exploring DHPC's potential in pharmacological and biomedical applications.
{"title":"Integrated experimental and computational investigation of a novel carbazole-based dihydropyridine derivative: Synthesis, spectroscopic analysis, molecular docking, and dynamics studies","authors":"R. Karthick , G. Velraj , Ramesh Kumar Raji , A. Karuppusamy , S. Karthikeyan , Naser Qamhieh , Fathalla Hamed","doi":"10.1016/j.rechem.2026.103080","DOIUrl":"10.1016/j.rechem.2026.103080","url":null,"abstract":"<div><div>Diethyl 4-(4-(9H-carbazol-9-yl)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (DHPC) is a novel compound with potential pharmacological and biomedical applications. Its unique structural features and electronic properties make it a promising candidate for drug discovery and molecular interaction studies. This novel compound, DHPC was synthesized using the classical Hantzsch route. Comprehensive experimental and theoretical studies were conducted to investigate its structural, vibrational, NMR, and electronic properties. Density Functional Theory (DFT) calculations employing the B3LYP exchange-correlation functional were used to correlate molecular and structural characteristics. The electronic properties of DHPC, including the energy band gap between the HOMO-LUMO orbitals, were calculated using TD-DFT/B3LYP/6–311++G(d,p) basis set. Natural Bond Orbital (NBO) analysis was performed to evaluate the compound's strength and stability. The <sup>1</sup>H NMR and <sup>13</sup>C NMR spectra were investigated using the Gauge-Independent Atomic Orbital (GIAO) method, with tetramethylsilane (TMS) as a reference. Global reactivity parameters such as Fukui functions, and the molecular electrostatic potential (MEP) map were employed to identify reactive sites within the compound. These DFT-derived electronic and structural insights contribute to understanding the potential pharmacological actions of DHPC. Further, molecular docking analysis was performed to identify the binding interactions of the ligand with target proteins, revealing the possible binding sites. The stability and dynamics of the protein-ligand complex were assessed through molecular dynamics simulations. These integrated studies provide a robust framework for exploring DHPC's potential in pharmacological and biomedical applications.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"21 ","pages":"Article 103080"},"PeriodicalIF":4.2,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146036359","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 : 2026-03-01Epub Date: 2026-01-15DOI: 10.1016/j.rechem.2026.103068
Jing Liu , Yaowu Zhang , Tianchong Zhang , Bo Wang
A kind of Cadmium sulfide (CdS) nanorods/Titanium dioxide (TiO2) nanorods heterojunction structure is prepared successfully on the silica micropillar arrays surface. The TiO2 nanorods densely coat the silica micropillar surfaces, while CdS nanorods are mainly anchored atop the TiO2 nanorods. Both the CdS and TiO2 nanostructures exhibit high crystallinity, with a well-defined heterojunction formed at their interface. This bilayer architecture significantly can suppress reflection across the visible and ultraviolet spectral regions, thereby enhancing light absorption. The bilayer structure substantially outperforms single-layer CdS nanorods or TiO2 nanorods photoresistors, achieving a visible-light responsivity of 241 and a UV responsivity of 33.2 (the photoresistor in dark dividing the resistance exposed to light).
{"title":"Fabrication and photosensitive property of CdS nanorods/ TiO2 nanorods structure grown on silica micropillars array","authors":"Jing Liu , Yaowu Zhang , Tianchong Zhang , Bo Wang","doi":"10.1016/j.rechem.2026.103068","DOIUrl":"10.1016/j.rechem.2026.103068","url":null,"abstract":"<div><div>A kind of Cadmium sulfide (CdS) nanorods/Titanium dioxide (TiO<sub>2</sub>) nanorods heterojunction structure is prepared successfully on the silica micropillar arrays surface. The TiO<sub>2</sub> nanorods densely coat the silica micropillar surfaces, while CdS nanorods are mainly anchored atop the TiO<sub>2</sub> nanorods. Both the CdS and TiO<sub>2</sub> nanostructures exhibit high crystallinity, with a well-defined heterojunction formed at their interface. This bilayer architecture significantly can suppress reflection across the visible and ultraviolet spectral regions, thereby enhancing light absorption. The bilayer structure substantially outperforms single-layer CdS nanorods or TiO<sub>2</sub> nanorods photoresistors, achieving a visible-light responsivity of 241 and a UV responsivity of 33.2 (the photoresistor in dark dividing the resistance exposed to light).</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"21 ","pages":"Article 103068"},"PeriodicalIF":4.2,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146036361","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}
Cerium-based metal-organic framework (Ce-MOF) was synthesized via a solvothermal method and comprehensively characterized. Zeta potential analysis revealed a positive surface charge of +13.1 mV, indicating suitability for anionic dye adsorption. Nitrogen adsorption-desorption analysis showed a Brunauer-Emmet-Teller (BET) surface area of 505 m2/g with Type IVa/II composite isotherms, highlighting its significant adsorption potential. The material exhibited a measurable piezoelectric sensitivity of 0.073 mV/N, supporting its role in piezo-assisted catalysis. Ce-MOF was employed as an adsorptive-piezocatalyst for the removal of Acid Black 172 (AB172) under ambient light, operatingg solely with atmospheric oxygen, and eco-friendly, low-cost flow-induced mechanical energy. Control experiments confirmed that ambient light did not contribute to dye degradation, ensuring that the observed removal originated from adsorption-piezocatalysis rather than any photocatalytic effect. Scavenger tests were conducted to identify potential reactive oxygen species (ROS) in the reaction environment. Response Surface Methodology (RSM) using a Central Composite Design (CCD) optimized stirring speed, catalyst-to-dye weight ratio, and pH, achieving over 80 % dye removal under conditions of pH 8, catalyst-to-dye weight ratio above 60, stirring speed above 600 rpm, and 120 min reaction time. Reusability tests and structural stability analyses after cyclic reactions confirmed the robustness of Ce-MOF. Kinetic analysis suggested a combined pseudo-first-order (PFO)/pseudo-second-order (PSO) model for the adsorption, indicating parallel adsorption pathways.
{"title":"Combined adsorption-piezocatalytic removal of acid black 172 using Ce-MOF under aerobic conditions driven by flow-induced vibration","authors":"Mahsa Ehsani Nia, Omid Amiri, Behnam Sedighi, Alireza Bargahi, Mohammad Joshaghani","doi":"10.1016/j.rechem.2025.103013","DOIUrl":"10.1016/j.rechem.2025.103013","url":null,"abstract":"<div><div>Cerium-based metal-organic framework (Ce-MOF) was synthesized via a solvothermal method and comprehensively characterized. Zeta potential analysis revealed a positive surface charge of +13.1 mV, indicating suitability for anionic dye adsorption. Nitrogen adsorption-desorption analysis showed a Brunauer-Emmet-Teller (BET) surface area of 505 m<sup>2</sup>/g with Type IVa/II composite isotherms, highlighting its significant adsorption potential. The material exhibited a measurable piezoelectric sensitivity of 0.073 mV/N, supporting its role in piezo-assisted catalysis. Ce-MOF was employed as an adsorptive-piezocatalyst for the removal of Acid Black 172 (AB172) under ambient light, operatingg solely with atmospheric oxygen, and eco-friendly, low-cost flow-induced mechanical energy. Control experiments confirmed that ambient light did not contribute to dye degradation, ensuring that the observed removal originated from adsorption-piezocatalysis rather than any photocatalytic effect. Scavenger tests were conducted to identify potential reactive oxygen species (ROS) in the reaction environment. Response Surface Methodology (RSM) using a Central Composite Design (CCD) optimized stirring speed, catalyst-to-dye weight ratio, and pH, achieving over 80 % dye removal under conditions of pH 8, catalyst-to-dye weight ratio above 60, stirring speed above 600 rpm, and 120 min reaction time. Reusability tests and structural stability analyses after cyclic reactions confirmed the robustness of Ce-MOF. Kinetic analysis suggested a combined pseudo-first-order (PFO)/pseudo-second-order (PSO) model for the adsorption, indicating parallel adsorption pathways.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"21 ","pages":"Article 103013"},"PeriodicalIF":4.2,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146075203","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}
In recent years, nanotechnology-based cancer therapies have significantly advanced, showing potential as an alternative to traditional treatments, such as chemotherapy. Despite this progress, the low solubility of quercetin (QC) as an anticancer drug may limit its bioavailability and therapeutic effectiveness. This study aims to address these limitations by developing a novel pH-sensitive nanocomposite composed of polyvinyl alcohol, starch, molybdenum disulfide, and quercetin. The encapsulation efficiency and properties of the nanocomposite were characterized using FTIR, XRD, DLS, zeta potential, and FE-SEM analyses. Additionally, drug release tests showed that the nanocomposite achieved targeted and controlled release over a 96-h period. MTT assays confirmed that the nanocomposite effectively delivered quercetin, inhibiting more than 60% of MCF-7 cell growth, a result further validated by flow cytometry analysis. These findings confirmed that most of the cell growth inhibition occurred during the secondary apoptosis stage, accounting for 60.9% of cell death. Overall, these experiments demonstrated that the PVA/S/MoS₂/QC is a superior candidate compared to free quercetin and traditional methods, offering enhanced anticancer applications.
{"title":"A novel pH-responsive nanocarrier using polyvinyl alcohol/starch/molybdenum disulfide loaded with quercetin for breast cancer therapy","authors":"Hassan Moradi , Mehrab Pourmadadi , Keyvan Khoshmaram , Fatemeh Yazdian , Hamid Rashedi , Danial Nemati Abyaneh","doi":"10.1016/j.rechem.2026.103044","DOIUrl":"10.1016/j.rechem.2026.103044","url":null,"abstract":"<div><div>In recent years, nanotechnology-based cancer therapies have significantly advanced, showing potential as an alternative to traditional treatments, such as chemotherapy. Despite this progress, the low solubility of quercetin (QC) as an anticancer drug may limit its bioavailability and therapeutic effectiveness. This study aims to address these limitations by developing a novel pH-sensitive nanocomposite composed of polyvinyl alcohol, starch, molybdenum disulfide, and quercetin. The encapsulation efficiency and properties of the nanocomposite were characterized using FTIR, XRD, DLS, zeta potential, and FE-SEM analyses. Additionally, drug release tests showed that the nanocomposite achieved targeted and controlled release over a 96-h period. MTT assays confirmed that the nanocomposite effectively delivered quercetin, inhibiting more than 60% of MCF-7 cell growth, a result further validated by flow cytometry analysis. These findings confirmed that most of the cell growth inhibition occurred during the secondary apoptosis stage, accounting for 60.9% of cell death. Overall, these experiments demonstrated that the PVA/S/MoS₂/QC is a superior candidate compared to free quercetin and traditional methods, offering enhanced anticancer applications.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"21 ","pages":"Article 103044"},"PeriodicalIF":4.2,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146075206","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 : 2026-03-01Epub Date: 2026-01-22DOI: 10.1016/j.rechem.2026.103076
Yawen Hou , Ruofeng Xu , Yujiao Hou , Yida Du , Keyi Gao , Jianlei Shen , Bin Chen
Accurate detection of non-B DNA structures remains challenging yet critical for understanding their roles in gene regulation, genome stability, and disease mechanisms. To address this need, we synthesized a benzothiazolium salt-based fluorescent probe (BTPA) and characterized its topology-specific responses to non-B DNA. BTPA exhibited up to 56-fold fluorescence enhancement with AATT-rich hairpin DNA and successfully discriminated 16 distinct non-B DNA structures, including left-handed parallel, right-handed hybrid/antiparallel/parallel G-quadruplexes (G4s), and i-motifs, through conformation-dependent emission changes. BTPA thus serves as a versatile fluorescent tool for probing non-B DNA topology with near-zero background in biomedical applications, offering new opportunities for disease research and drug development.
{"title":"A benzothiazolium salt fluorophore for topology-specific discrimination of non-B DNA structures","authors":"Yawen Hou , Ruofeng Xu , Yujiao Hou , Yida Du , Keyi Gao , Jianlei Shen , Bin Chen","doi":"10.1016/j.rechem.2026.103076","DOIUrl":"10.1016/j.rechem.2026.103076","url":null,"abstract":"<div><div>Accurate detection of non-B DNA structures remains challenging yet critical for understanding their roles in gene regulation, genome stability, and disease mechanisms. To address this need, we synthesized a benzothiazolium salt-based fluorescent probe (BTPA) and characterized its topology-specific responses to non-B DNA. BTPA exhibited up to 56-fold fluorescence enhancement with AATT-rich hairpin DNA and successfully discriminated 16 distinct non-B DNA structures, including left-handed parallel, right-handed hybrid/antiparallel/parallel G-quadruplexes (G4s), and i-motifs, through conformation-dependent emission changes. BTPA thus serves as a versatile fluorescent tool for probing non-B DNA topology with near-zero background in biomedical applications, offering new opportunities for disease research and drug development.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"21 ","pages":"Article 103076"},"PeriodicalIF":4.2,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146036356","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}
Ethiopia is home to a variety of wild edible plants that can serve as important sources of nutrition for humans. However, the nutritional value of these plants can be influenced by various factors, including their preparation and drying methods. This study aimed to evaluate the nutritional, anti-nutritional, and mineral contents of the fruits, seeds, and peels of three wild edible plant species (Syzygium guineense (Willd.) DC., Citrus medica L., Ziziphus spina-christi (L.) Desf.) and to assess the impact of different drying techniques (sun-drying, room-drying, and freeze-drying) on these properties. To analyze the mineral content, inductively coupled plasma optical emission spectroscopy (ICP-OES) was used after microwave acid digestion. The study found significant (p < 0.05) variations in nutritional, anti-nutritional, and mineral content across the plant species and drying methods. Moisture content after drying ranged from 7.55% to 14.10%, which is too low to ensure safe long-term storage of the fruits. The nutritional components, including protein (0.55–2.52%), fat (0.25–4.98%), fiber (2.03–13.68%), ash (1.92–2.52%), and carbohydrates (2.35–27.61%), varied widely across species and drying methods. Mineral concentrations ranged from 0.31 mg/kg for Se to 6604 mg/kg for K, with no Pb detected in any of the samples. Anti-nutritional factors, including tannins (20.8–155 mg/100 g), oxalates (0.21–0.66 mg/100 g), and phytates (0.23–2.30 mg/100 g), were found to be at levels unlikely to significantly impact human health. The results demonstrate that the drying method affects both the nutritional and anti-nutritional content of the fruits. Freeze drying, while preserving dietary nutrients more effectively and reducing drying time, also retains higher levels of tannins, an anti-nutritional compound. This highlights a trade-off between nutrient preservation and the retention of harmful constituents. In conclusion, the edible parts of these wild plants are valuable sources of minerals and nutrients and, with proper drying methods, could be used as nutritious food options for human consumption.
{"title":"Nutritional, Antinutritional, and Elemental Compositions of Wild Edible Fruits (Syzygium guineense, Citrus medica, and Ziziphus spina-christi) Grown in Ethiopia","authors":"Tilahun Belayneh Asfaw , Fekade Beshah Tessema , Bewketu Mehari","doi":"10.1016/j.rechem.2026.103056","DOIUrl":"10.1016/j.rechem.2026.103056","url":null,"abstract":"<div><div>Ethiopia is home to a variety of wild edible plants that can serve as important sources of nutrition for humans. However, the nutritional value of these plants can be influenced by various factors, including their preparation and drying methods. This study aimed to evaluate the nutritional, anti-nutritional, and mineral contents of the fruits, seeds, and peels of three wild edible plant species (<em>Syzygium guineense</em> (Willd.) DC., <em>Citrus medica</em> L., <em>Ziziphus spina-christi</em> (L.) Desf.) and to assess the impact of different drying techniques (sun-drying, room-drying, and freeze-drying) on these properties. To analyze the mineral content, inductively coupled plasma optical emission spectroscopy (ICP-OES) was used after microwave acid digestion. The study found significant (<em>p</em> < 0.05) variations in nutritional, anti-nutritional, and mineral content across the plant species and drying methods. Moisture content after drying ranged from 7.55% to 14.10%, which is too low to ensure safe long-term storage of the fruits. The nutritional components, including protein (0.55–2.52%), fat (0.25–4.98%), fiber (2.03–13.68%), ash (1.92–2.52%), and carbohydrates (2.35–27.61%), varied widely across species and drying methods. Mineral concentrations ranged from 0.31 mg/kg for Se to 6604 mg/kg for K, with no Pb detected in any of the samples. Anti-nutritional factors, including tannins (20.8–155 mg/100 g), oxalates (0.21–0.66 mg/100 g), and phytates (0.23–2.30 mg/100 g), were found to be at levels unlikely to significantly impact human health. The results demonstrate that the drying method affects both the nutritional and anti-nutritional content of the fruits. Freeze drying, while preserving dietary nutrients more effectively and reducing drying time, also retains higher levels of tannins, an anti-nutritional compound. This highlights a trade-off between nutrient preservation and the retention of harmful constituents. In conclusion, the edible parts of these wild plants are valuable sources of minerals and nutrients and, with proper drying methods, could be used as nutritious food options for human consumption.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"21 ","pages":"Article 103056"},"PeriodicalIF":4.2,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146036296","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 : 2026-03-01Epub Date: 2026-01-29DOI: 10.1016/j.rechem.2026.103099
Kexin Sun , Lianju Chen , Zhengyi Li , Jie Zhu , Li Zhang , Shun Gao , Haoxiang Yan , Yuanning Luo , Huimin Zhao , Qijun Zuo , Yulong Li , Xu Wen , Xiaotong Shao , Qiming Kou
A rapid and sensitive aptamer-based detection platform for hepatocellular carcinoma (HCC) cells is developed in this study. The sensing strategy utilizes gold nanoparticles (AuNPs) as signal transducers, which exhibit excellent colloidal stability and a characteristic surface plasmon resonance peak at 520 nm under dispersed conditions. Upon the introduction of sodium chloride (NaCl), electrostatic screening weakens nanoparticle stability and induces salt-triggered aggregation. The AS1411 aptamer initially adsorbs onto the AuNP surface, conferring resistance to salt-induced aggregation. In the presence of HepG2 cells, the aptamer preferentially binds to cell-surface targets and undergoes G-quadruplex formation, resulting in desorption from the AuNP surface and subsequent nanoparticle aggregation that enables target recognition. The proposed platform exhibits a significantly enhanced response toward HepG2 cells compared with various normal human cell lines, demonstrating high selectivity. Quantitative analysis reveals a broad logarithmic linear detection range from 1.0 × 101 to 1.0 × 105 cells/mL, with a low limit of detection of 5 cells/mL. Overall, this work establishes a simple, label-free, and enrichment-free cytosensing strategy for tumor cell detection and highlights its potential biomedical diagnostic applications.
{"title":"G-Quadruplex aptamer–nanoparticle platform for sensitive cytosensing of hepatocellular carcinoma","authors":"Kexin Sun , Lianju Chen , Zhengyi Li , Jie Zhu , Li Zhang , Shun Gao , Haoxiang Yan , Yuanning Luo , Huimin Zhao , Qijun Zuo , Yulong Li , Xu Wen , Xiaotong Shao , Qiming Kou","doi":"10.1016/j.rechem.2026.103099","DOIUrl":"10.1016/j.rechem.2026.103099","url":null,"abstract":"<div><div>A rapid and sensitive aptamer-based detection platform for hepatocellular carcinoma (HCC) cells is developed in this study. The sensing strategy utilizes gold nanoparticles (AuNPs) as signal transducers, which exhibit excellent colloidal stability and a characteristic surface plasmon resonance peak at 520 nm under dispersed conditions. Upon the introduction of sodium chloride (NaCl), electrostatic screening weakens nanoparticle stability and induces salt-triggered aggregation. The AS1411 aptamer initially adsorbs onto the AuNP surface, conferring resistance to salt-induced aggregation. In the presence of HepG2 cells, the aptamer preferentially binds to cell-surface targets and undergoes G-quadruplex formation, resulting in desorption from the AuNP surface and subsequent nanoparticle aggregation that enables target recognition. The proposed platform exhibits a significantly enhanced response toward HepG2 cells compared with various normal human cell lines, demonstrating high selectivity. Quantitative analysis reveals a broad logarithmic linear detection range from 1.0 × 10<sup>1</sup> to 1.0 × 10<sup>5</sup> cells/mL, with a low limit of detection of 5 cells/mL. Overall, this work establishes a simple, label-free, and enrichment-free cytosensing strategy for tumor cell detection and highlights its potential biomedical diagnostic applications.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"21 ","pages":"Article 103099"},"PeriodicalIF":4.2,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147398695","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 : 2026-03-01Epub Date: 2026-01-28DOI: 10.1016/j.rechem.2026.103094
Aswin Mohan, Anuroopa G. Nadh, Rajesh Raju
The epidermal growth factor receptor (EGFR) is a transmembrane protein that plays a pivotal role in cellular signaling. EGFR dysregulation is critically associated with oncogenic signaling cascade, establishing it as a prime target for cancer therapeutics. However, the emergence of drug resistance continues to limit the long-term effectiveness of EGFR inhibitors. The present study investigates the phytochemicals of the medicinal plant, Codariocalyx motorius, known for its broad therapeutic potential, as a source of potent EGFR modulators. Initially, the phytochemicals of the plant were identified through literature analysis. Later, molecular docking, drug-likeness predictions, molecular dynamics simulations, and MM/PBSA-based binding free energy calculations were employed to assess the binding affinity of these compounds against EGFR. Among the 26 screened compounds, 24 showed higher docking scores than the reference drug Gefitinib. Among these, Apigenin-7-O-glucuronide and Scutellarein-6-O-glucuronide demonstrated stronger binding affinities than the control drug Erlotinib. Notably, Apigenin-7-O-glucuronide showed the most promising therapeutic potential, as evidenced by its favorable binding mode, interactions with key amino acid residues, stable binding conformations, compact radius of gyration (Rg), and reduced solvent-accessible surface area (SASA). Binding free energy calculations further supported its stable association with the EGFR binding site. Overall, the findings of this study highlight the potential of phytochemicals from Codariocalyx motorius in modulating EGFR activity and suggest Apigenin-7-O-glucuronide as a promising lead compound for further experimental validation for EGFR-targeted cancer therapy.
表皮生长因子受体（EGFR）是一种跨膜蛋白，在细胞信号传导中起关键作用。EGFR失调与致癌信号级联密切相关，使其成为癌症治疗的主要靶点。然而，耐药性的出现继续限制了EGFR抑制剂的长期有效性。本研究调查了药用植物的植物化学物质，以其广泛的治疗潜力而闻名，作为有效的EGFR调节剂的来源。首先，通过文献分析确定了该植物的植物化学物质。随后，采用分子对接、药物相似性预测、分子动力学模拟和基于MM/ pbsa的结合自由能计算来评估这些化合物对EGFR的结合亲和力。在筛选的26个化合物中，有24个化合物的对接评分高于对照药物吉非替尼。其中，芹菜素-7- o -葡糖苷和灯盏花素-6- o -葡糖苷的结合亲和力比对照药厄洛替尼强。值得注意的是，芹菜素-7- o -葡萄糖醛酸酯显示出最有希望的治疗潜力，因为它具有良好的结合模式，与关键氨基酸残基的相互作用，稳定的结合构象，紧凑的旋转半径（Rg）和降低的溶剂可及表面积（SASA）。结合自由能计算进一步支持其与EGFR结合位点的稳定结合。总的来说，本研究的发现强调了黄芩中的植物化学物质在调节EGFR活性方面的潜力，并建议芹菜素-7- o -葡萄糖醛酸盐作为一种有希望的先导化合物，用于进一步实验验证EGFR靶向癌症治疗。
{"title":"Structure-based identification of natural EGFR modulators from Codariocalyx motorius using computational approaches","authors":"Aswin Mohan, Anuroopa G. Nadh, Rajesh Raju","doi":"10.1016/j.rechem.2026.103094","DOIUrl":"10.1016/j.rechem.2026.103094","url":null,"abstract":"<div><div>The epidermal growth factor receptor (EGFR) is a transmembrane protein that plays a pivotal role in cellular signaling. EGFR dysregulation is critically associated with oncogenic signaling cascade, establishing it as a prime target for cancer therapeutics. However, the emergence of drug resistance continues to limit the long-term effectiveness of EGFR inhibitors. The present study investigates the phytochemicals of the medicinal plant, <em>Codariocalyx motorius</em>, known for its broad therapeutic potential, as a source of potent EGFR modulators. Initially, the phytochemicals of the plant were identified through literature analysis. Later, molecular docking, drug-likeness predictions, molecular dynamics simulations, and MM/PBSA-based binding free energy calculations were employed to assess the binding affinity of these compounds against EGFR. Among the 26 screened compounds, 24 showed higher docking scores than the reference drug Gefitinib. Among these, Apigenin-7-O-glucuronide and Scutellarein-6-O-glucuronide demonstrated stronger binding affinities than the control drug Erlotinib. Notably, Apigenin-7-O-glucuronide showed the most promising therapeutic potential, as evidenced by its favorable binding mode, interactions with key amino acid residues, stable binding conformations, compact radius of gyration (Rg), and reduced solvent-accessible surface area (SASA). Binding free energy calculations further supported its stable association with the EGFR binding site. Overall, the findings of this study highlight the potential of phytochemicals from <em>Codariocalyx motorius</em> in modulating EGFR activity and suggest Apigenin-7-O-glucuronide as a promising lead compound for further experimental validation for EGFR-targeted cancer therapy.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"21 ","pages":"Article 103094"},"PeriodicalIF":4.2,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146075150","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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