ChemistryOpenPub Date : 2026-07-13DOI: 10.1002/open.70235
Nare Leah Mojela, Eswaran Prabakaran, Kriveshini Pillay, Phogothi Patrick Komane
{"title":"Comparative Study of Moringa oleifera and Sclerocarya birrea Extracts in Forensic Urine Analysis","authors":"Nare Leah Mojela, Eswaran Prabakaran, Kriveshini Pillay, Phogothi Patrick Komane","doi":"10.1002/open.70235","DOIUrl":"10.1002/open.70235","url":null,"abstract":"<p>Forensic science depends on identifying biological fluid stains to maintain DNA for profiling and associating suspects with crime scenes. These stains can include urine and other secretions; however, presumptive and confirmatory tests often target specific fluids and might damage DNA because of destructive chemical processes. Traditional reagents like 4-dimethylaminocinnamaldehyde (DMAC) allow for quick screening but have low specificity and sensitivity in complex crime scene matrices. Hence, there is a necessity for a universal, highly sensitive, and non-destructive technique for the accurate analysis and differentiation of bodily fluids. In this study, we present an eco-friendly technique for synthesizing silver nanoparticles (AgNPs) and gold nanoparticles (AuNPs) utilizing extracts from the stems of <i>Sclerocarya birrea</i> and <i>Moringa oleifera</i> as reducing and stabilizing agents in aqueous medium. These nanoparticles were employed as alternative materials for urine analysis at the crime scene. Various characterization techniques, including Fourier-transform infrared spectroscopy, X-ray diffraction (XRD), transmission electron microscopy (TEM), and spectrophotometry, were used to analyse the nanoparticles. XRD results indicated a face-centred cubic crystalline structure, while microscopy observations showed that the nanoparticles were mainly spherical, with some in hexagonal and polyhedral shapes. Fluorescence spectroscopy revealed that AgNPs and AuNPs significantly improved the excitation and emission signals of DMAC in urine analysis when compared to plant extracts alone. Furthermore, electrophoresis gel and nanophotometer analysis showed enhanced DNA recovery and less degradation after nanoparticle-assisted urine testing. These results indicate that these nanoparticles function as non-toxic signal enhancers and protective agents, thereby enhancing sensitivity, specificity, and DNA preservation in forensic analysis.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 7","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-07-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.70235","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148429992","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ChemistryOpenPub Date : 2026-07-02DOI: 10.1002/open.70249
Beatriz Naranjo-Martínez, Ana Laura Coria-Gutiérrez, Sunčica Sukur, Sedef Ozel-Okcu, Václav Ranc, Francisco J. Terán, Franca Raucci, Marco A. Pierotti, Domenico Scionti, Anna Piperno
{"title":"Chemical and Technological Aspects of Magnetic Particles for Cancer Liquid Biopsy Applications","authors":"Beatriz Naranjo-Martínez, Ana Laura Coria-Gutiérrez, Sunčica Sukur, Sedef Ozel-Okcu, Václav Ranc, Francisco J. Terán, Franca Raucci, Marco A. Pierotti, Domenico Scionti, Anna Piperno","doi":"10.1002/open.70249","DOIUrl":"10.1002/open.70249","url":null,"abstract":"<p>Recent progress in molecular diagnostics has been strongly influenced by advances in magnetic bead (MB) chemistry. Synthetic strategies for MB fabrication play a critical role in defining their size, physicochemical properties, and nano- or microscale architectures, which ultimately determine their analytical performance. The efficiency of MBs in liquid biopsy depends on the architecture of their components, including magnetic core, surface functionalization, as well as the integration of recognition ligands. This review highlights the recent developments in MB design for the selective capture, identification, and quantification of cancer biomarkers in liquid biopsy applications. It also summarizes the advantages and limitations of commercially available MB platforms and critically evaluates emerging systems reported in the literature. By comparing current technologies, this review discusses major advances as well as remaining translational bottlenecks, providing guidance for the rational design of next-generation MBs for liquid biopsy. The latter is an emerging technology increasingly used in precision oncology for molecular profiling to support cancer diagnosis, prognosis, and the selection of personalized treatments.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 7","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.70249","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148374658","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Exploring Antimicrobial Activities of Fixed Oil From Sanguisorba minor Seeds by In Vitro and In Silico Analysis","authors":"Zehra Torun, Tuba Unver, Harun Uslu, Bunyamin Goktas","doi":"10.1002/open.70250","DOIUrl":"10.1002/open.70250","url":null,"abstract":"<p>This study aimed to demonstrate in vitro and in silico antimicrobial efficacy of the fixed oil derived from the seeds of <i>Sanguisorba minor</i> Scop., a plant traditionally utilized for wound healing, burn treatment, and hemorrhage control. As a result of GC–MS analysis, 14 distinct saturated and unsaturated fatty acids, predominantly linoleic acid (<b>11</b>, 43.25%), α-linoleic acid (<b>12</b>, 25.33%), and oleic acid (<b>10</b>, 20.73%) were determined. The DPPH• and ABTS<sup>+</sup> radical scavenging effects of the oil were determined to be of low-middle activity. As a result of antibacterial and antifungal activities, MIC values against tested Gram-positive and Gram-negative species ranged between 1.406 and 11.25 µL/mL. While the MBC values of plant fixed oil for bacterial species ranged between 22.5 and 45 µL/mL, this value varied between 5.625 and 11.25 µL/mL for <i>Candida</i> species. Molecular docking studies revealed that the antifungal and antimicrobial activities of our ligands are expected to occur at micromolar levels. In particular, the antimicrobial activity of the fixed oil was demonstrated by the higher docking scores and inhibitory effects at lower concentrations of oleic acid (<b>10</b>), linoleic acid (<b>11</b>), and α-linolenic acid (<b>12</b>), which specifically played a role in this process.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 7","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.70250","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148374737","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ChemistryOpenPub Date : 2026-07-01DOI: 10.1002/open.70238
Ayhan Atiz, Ismail Bozkurt, Mehmet Karakilcik
{"title":"Monthly Energy, Exergy, Environmental, and Economic Performance and Green Hydrogen Production Analysis of a Flat-Plate Solar Collector-Driven Organic Rankine Cycle System Under Variable Mass Flow and Irradiance","authors":"Ayhan Atiz, Ismail Bozkurt, Mehmet Karakilcik","doi":"10.1002/open.70238","DOIUrl":"10.1002/open.70238","url":null,"abstract":"<p>This article comprehensively evaluates the energy, exergy, environmental, and economic performance of a hybrid system integrating a proton exchange membrane (PEM) electrolyzer with an organic Rankine cycle (ORC) driven by flat-plate solar collectors (FPSCs) (224.64 m<sup>2</sup>) under varying flow rates. Five flow rates were simulated in engineering equation solver (EES), yielding daily electricity outputs between 86.33 MJ and 91.52 MJ, equivalent to 2.676–2.837 GJ throughout July. Hydrogen production ranged from 414.35 to 439.30 g per day, resulting in 12.85–13.62 kg over the month. The highest hourly energy efficiencies varied from 23.82% to 21.71%, while the maximum exergetic efficiencies remained nearly constant at 6.70%–6.72%, indicating stable system behavior. The hybrid setup reduced CO<sub>2</sub> emissions by 39.39–42.56 kg per day, totaling 1221.09–1984.31 kg in July. While the financial gain declined marginally as the flow rate increased from 10.90 USD to 10.15 USD per day, corresponding to 337.91–314.57 USD monthly, the system nevertheless indicated considerable operational and ecological advantages. The average monthly electricity generation across the evaluated flow rates was calculated as 1.974 GJ, corresponding to an average monthly revenue of 235.12 USD and an estimated annual revenue of 2,821 USD, with a simple payback period of 9.73 years.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 7","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.70238","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148367099","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ChemistryOpenPub Date : 2026-06-30DOI: 10.1002/open.70251
Selçuk Eşsiz, Emine Salamci
{"title":"The Role of Conformational Preorganization in the Reactivity of cis-1,2-Dimesylate-bis(benzyloxy)cyclooctane: An Activation Strain Perspective","authors":"Selçuk Eşsiz, Emine Salamci","doi":"10.1002/open.70251","DOIUrl":"10.1002/open.70251","url":null,"abstract":"<p>A computational study was performed to elucidate the factors governing the reactivity of a <i>cis</i>-substituted cyclooctane dimesylate toward sodium azide. The calculated energy profile reveals a clear kinetic preference for formation of the monosubstituted intermediate, while the second S<sub>N</sub>2 substitution is associated with a significantly higher activation barrier. Activation Strain Model (ASM) analysis indicates that this increase arises primarily from a larger distortion energy and less favorable interaction energy. Consistent with these findings, Non–Covalent Interaction (NCI) analysis reveals diminished stabilizing interactions and enhanced steric repulsion in the higher-energy transition state. Further analysis of the cyclooctane conformations demonstrates that the two pathways differ in their torsional distortion patterns. The lower-energy transition state proceeds through a more preorganized geometry, whereas the higher-energy pathway requires additional conformational reorganization to achieve the reactive arrangement of the leaving group. Together, these results establish conformational preorganization as a key factor governing reactivity in this flexible ring system.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 7","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.70251","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148359775","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ChemistryOpenPub Date : 2026-06-30DOI: 10.1002/open.70247
Katrin Eppers, Alisha Mertens, Jan Chrubasik, Mathias S. Wickleder, Jan Langwald
{"title":"The Versatile Structural World of Methanedi- and Trisulfonic Acid and Their Salts","authors":"Katrin Eppers, Alisha Mertens, Jan Chrubasik, Mathias S. Wickleder, Jan Langwald","doi":"10.1002/open.70247","DOIUrl":"10.1002/open.70247","url":null,"abstract":"<p>The syntheses and structural elucidations of 16 novel compounds, derived from methane(poly-)sulfonic acids are presented. The anhydrous acids, that is, methanedisulfonic acid (MDSA—(H<sub>2</sub>C(SO<sub>3</sub>H)<sub>2</sub>, <b>1</b>) and methanetrisulfonic acid (MTSA), the latter as two polymorphic structures (HC(SO<sub>3</sub>H)<sub>3</sub>-I (<i>P</i>3<i>c</i>1, <b>2</b>) and HC(SO<sub>3</sub>H)<sub>3</sub>-II (<i>P</i>2<sub>1</sub>/<i>n</i>, <b>3</b>)) have been crystallized and structurally elucidated. Methanedisulfonic acid was subsequently used to prepare four group I methanedisulfonates (AM<sub>2</sub>[(H<sub>2</sub>C(SO<sub>3</sub>)<sub>2</sub>], AM = Li (<b>6)</b>, K (<b>7</b>)·H<sub>2</sub>O, Rb (<b>8</b>) and Cs (<b>10</b>)) as well as the strontium dihydrate Sr[H<sub>2</sub>C(SO<sub>3</sub>)<sub>2</sub>](H<sub>2</sub>O)<sub>2</sub> (<b>9</b>) and the ternary salt BaK<sub>2</sub>[(H<sub>2</sub>C(SO<sub>3</sub>)<sub>2</sub>]<sub>2</sub> (<b>11</b>). The known trisulfonate K<sub>3</sub>[HC(SO<sub>3</sub>)<sub>3</sub>](H<sub>2</sub>O) was used for the preparation of the oxonium salt [H<sub>3</sub>O]<sub>3</sub>[HC(SO<sub>3</sub>)<sub>3</sub>] (<b>4</b>), which was isolated as a new polymorph (<i>R</i>3<i>c</i>). Subsequent neutralization led to isolation of the compounds AM<sub>3</sub>[HC(SO<sub>3</sub>)<sub>3</sub>] (AM = Li (<b>12</b>)·(H<sub>2</sub>O)<sub>4</sub>, K (<b>13</b>), Rb (<b>14</b>)·H<sub>2</sub>O, as well as the two ternary salts Rb<sub>3</sub>Ag<sub>3</sub>[HC(SO<sub>3</sub>)<sub>3</sub>]<sub>2</sub> (<b>15</b>) and Rb<sub>5</sub>Ag[HC(SO<sub>3</sub>)<sub>3</sub>]<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub> (<b>16</b>). For a structural comparison between a mono-, di-, and trisulfonate, we also prepared the still elusive rubidium methanesulfonate, which crystallizes as the hydrate Rb[H<sub>3</sub>C(SO<sub>3</sub>)](H<sub>2</sub>O) (<b>5</b>). Different synthetic approaches, as well as an in-depth structural analysis of all compounds, are presented. Furthermore, compound <b>8</b> and the oxonium salt of compound <b>1</b> were investigated concerning their thermal decomposition.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 7","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.70247","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148359725","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ChemistryOpenPub Date : 2026-06-18DOI: 10.1002/open.70230
Sahar Abdulaziz AlSedairy, Pandurangan Subash-Babu, Maha H. Alhussain, Manal Abdulaziz Binobead, Ali A. Alshatwi
{"title":"Epoxy Clerodane Diterpene Attenuates the Differentiated Adipocyte Hypertrophy and Enhances Mitochondrial Metabolism","authors":"Sahar Abdulaziz AlSedairy, Pandurangan Subash-Babu, Maha H. Alhussain, Manal Abdulaziz Binobead, Ali A. Alshatwi","doi":"10.1002/open.70230","DOIUrl":"https://doi.org/10.1002/open.70230","url":null,"abstract":"<p>Adipocyte hypertrophy is an obesity-related metabolic dysfunction, which is frequently associated with decreased mitochondrial activity during adipocyte development. The current study aimed to assess the potential of epoxy clerodane diterpene (ECD) (IUPAC: 5R, 10R)-4R, 8R-dihydroxy-2S, 3R:15, 16-diepoxycleroda-13(16), 17, 12S:18,1S-dilactone) extracted from <i>Cassia tora</i> on adipocyte differentiation, lipid accumulation, mitochondrial function, and inflammation. Human bone marrow mesenchymal stem cells (hMSCs) were stimulated into adipocytes using the standard differentiation medium. The methodological design included the evaluation of ECD cytotoxicity, lipid accumulation, mitochondrial membrane potential, qRT-PCR, and ELISA. ECD didn’t significantly reduce the cellular viability; however, it decreased lipid accumulation by 65%, 87%, and 87.5% at doses of 2, 4, and 8 μM, respectively. Also, at 4 µM of ECD, it decreased adipocyte hypertrophy, increased mitochondrial membrane potential, raised the expression of thermogenesis-related genes (UCP-1, PPARγC1α, SREBP1c), decreased the expression of adipogenic proteins (C/EBPα, PPARγ), increased adiponectin levels, and reduced inflammatory markers (IL-4, TNF-α) compared to untreated controls. Thus, ECD may hold tremendous promise as a natural agent for controlling adipogenesis, and its impacts on lipid metabolism, mitochondrial function, and inflammatory responses demonstrate its potential for therapeutic use in the treatment of obesity and associated metabolic diseases.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 7","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.70230","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148274841","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ChemistryOpenPub Date : 2026-06-08DOI: 10.1002/open.70242
Costantino Zazza, Felice Grandinetti, Nico Sanna, Stefano Borocci, Henry S. Rzepa
{"title":"Direct Evidence for a Carbon–Carbon One-Electron σ-Bond, or a Weak Carbon–Carbon Interaction?","authors":"Costantino Zazza, Felice Grandinetti, Nico Sanna, Stefano Borocci, Henry S. Rzepa","doi":"10.1002/open.70242","DOIUrl":"10.1002/open.70242","url":null,"abstract":"<p>Shimajiri et al. (<i>Nature</i>, <b>2024</b>, 634, 347–351) reported for the first time on direct evidence for a carbon–carbon one-electron σ bond in a recently synthesized stable radical cation. Single-crystal X-ray diffraction analysis, electron density maps, and RAM spectroscopy provided analytical results supporting the derived picture. However, the theoretical counterpart at the density functional theory level tends to support a different viewpoint, namely two sp<sup>2</sup> carbon atoms at a rather high distance of 2.921(3) Å undergoing a weak non-covalent interaction. In this contribution, we wish to highlight the discrepancies observed in relation to laboratory measurements as well as the similarities with a recent research by L. I. Lugo-Fuentes (<i>Phys. Chem. Chem. Phys.</i>, <b>2026</b>, 28, 683–691) with the aim of promoting new theoretical studies—going beyond the Kohn–Sham (KS) framework in the field of wavefunction correlated methods—on what could become a new benchmark system for the coming years. Taken together, the available data do not unequivocally demonstrate the existence of a discrete C─C one-electron σ-bond but instead highlight the difficulty of distinguishing extremely weak bonding interactions from non-bonded or delocalized radical states.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 6","pages":""},"PeriodicalIF":3.1,"publicationDate":"2026-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.70242","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148197374","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ChemistryOpenPub Date : 2026-06-07DOI: 10.1002/open.70239
Jabbar Ali, Yasir Ali, Maher Ali Malik, Yilun Shang
{"title":"Graph-Theoretical Approach for Predicting Physicochemical Properties of Stiff-Person Syndrome Drugs","authors":"Jabbar Ali, Yasir Ali, Maher Ali Malik, Yilun Shang","doi":"10.1002/open.70239","DOIUrl":"10.1002/open.70239","url":null,"abstract":"<p>This work applies quantitative structure–property relationship analysis to examine molecular characteristics linked to stiffness person syndrome (SPS), a rare neurological condition marked by persistent muscle rigidity and spasmodic episodes. Topological indices such as Zagreb indices and their modification are employed to examine their correlations with key physicochemical properties. Linear, quadratic, exponential growth, and power curve fitting models are applied to identify the best correlations, focusing on the maximum F-statistic and the coefficient of determination R<sup>2</sup>. Furthermore, heatmap-based correlation analysis is performed to visually quantify the strength and direction of correlations between the calculated topological indices and selected physicochemical parameters. In addition to classical regression techniques, gradient boosting, a powerful ensemble machine learning method, is utilized to enhance predictive accuracy and evaluate the contribution of each descriptor toward property estimation. Additionally, M-polynomials are calculated, and their corresponding graphs are plotted to assess the structural features of potential therapeutic agents. The findings offer significant insights into the role of graph-theoretical methods in drug discovery, advancing the computational design of targeted treatments for SPS.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 6","pages":""},"PeriodicalIF":3.1,"publicationDate":"2026-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.70239","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148197480","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Assessment of Antimicrobial Activity, Membrane Integrity, and Oxidative Stress of Green Synthesized Silver Nanoparticles: In Vitro and Molecular Docking Studies","authors":"Sarra Sebti, Badra Barhouchi, Samir Meskaldji, Haroun Houicha, Eyup Bagci, Hamdi Bendif, Walid Elfalleh, Stefania Garzoli","doi":"10.1002/open.70237","DOIUrl":"10.1002/open.70237","url":null,"abstract":"<p>Silver nanoparticles were synthesized using <i>Acacia</i> <i>karroo aqueous</i> leaves extract for the first time, as evidenced by a characteristic UV–Vis absorption peak at 424 nm. Spherical morphologies were observed using transmission electron microscopy (TEM) and scanning electron microscopy (SEM), with mean diameters determined to be 33 nm. XRD analysis validated the crystalline nature of the nanoparticles, with characteristic peaks at 2<i>θ</i> values of 38.19°, 44.34°, 46.21°, 64.35°, 77.54°, and 81.39° corresponding to the (111), (200), (211), (220), (311), and (222) planes of face-centered cubic silver. Synthesized AgNPs demonstrated moderate anti-<i>Candida albicans</i> and antibacterial properties against the tested strains. Overall, AgNPs-treated <i>Staphylococcus aureus</i> and <i>Escherichia coli</i> showed higher levels of cell leakage, protein content, and malondialdehyde concentrations than untreated cells. Molecular docking studies demonstrated strong interactions between silver and microbial proteins, with the highest binding affinity observed for protein 5NG5, followed by 5BNM and 3HUM.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 6","pages":""},"PeriodicalIF":3.1,"publicationDate":"2026-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.70237","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148142950","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}