Results in Chemistry最新文献

{"title":"`Synthesis strategies and challenges of hematite, maghemite, and magnetite nanomaterials: a critical review","authors":"Gemechu Fikadu Aaga,&nbsp;Workineh Mengesha Fereja,&nbsp;Bilise Getachew,&nbsp;Fetene Fufa Bakare","doi":"10.1016/j.rechem.2026.104041","DOIUrl":"10.1016/j.rechem.2026.104041","url":null,"abstract":"<div><div>The efficiency, stability, identity, and specific applicability of materials are most commonly altered during the synthesis stage. The most common phases of iron oxides, namely hematite, maghemite, and magnetite, and their synthesis approaches done so far were reviewed in this study. These three common phases of iron oxides are reported applicable in waste monitoring; in medicine as antimicrobial, anti-cancer, drug delivery, and MRI contrast agents; in agriculture as growth stimulants, antioxidants, and drought stress reducers; and in energy for hydrogen production, batteries, and energy storage. For the synthesis of these materials, different synthesis methods such as hydrothermal, solvothermal, sol-gel, co-precipitation, thermal decomposition, chemical vapor deposition, microemulsion, and the green approach were critically reviewed. Most of the methods are time-, cost-, energy-, and reagent-consuming methods. In this review, the issues of starting materials, calcination, reagents, and their consequences were discussed in detail. Finally, we indicated the existing synthesis challenges and outlined future research direction for advancing the synthesis methods.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"32 ","pages":"Article 104041"},"PeriodicalIF":5.8,"publicationDate":"2026-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149366009","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Electrochemical sensing of diazinon using a poly(methylene blue)/1,5-diphenylcarbazide-modified glassy carbon electrode in fruit samples","authors":"Andualem Ejigu,&nbsp;Atnafu Guadie,&nbsp;Mengistu Mulu,&nbsp;Adisie Kassa,&nbsp;Molla Tefera","doi":"10.1016/j.rechem.2026.104006","DOIUrl":"10.1016/j.rechem.2026.104006","url":null,"abstract":"<div><div>To detect diazinon, a simple and sensitive MB (methylene blue) and 1,5-DPC (1,5-diphenylcarbazide)-modified glassy carbon electrode (poly(MB)/1,5-DPC/GCE) sensor was developed and characterized by CV and EIS. The sensor showed significantly improved electron transport, with a decrease in charge-transfer resistance from 197.58 Ω for the bare electrode to 66.36 Ω. Besides, the sensor exhibited an irreversible, diffusion-controlled electrochemical reaction with diazinon in acetate buffer at pH 5.0. A wide linear range of 0.01–1.6 μM and a detection limit of 0.093 μM were obtained using differential pulse voltammetry. The sensor demonstrated outstanding reproducibility, stability, low interference, and high selectivity. Recovery studies using fruit samples (papaya, watermelon, mango, and avocado) demonstrated the practical applicability of the proposed technique, with recoveries of 97.3–99.5% and low relative standard deviations (0.12–2.36%), indicating negligible matrix effects and high precision. Finally, the poly(MB)/1,5-DPC/GCE sensor provides a simple, inexpensive, and reliable platform for diazinon detection in food samples, with promising applications in food safety assessment and routine agricultural and environmental monitoring.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"31 ","pages":"Article 104006"},"PeriodicalIF":5.8,"publicationDate":"2026-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149348924","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Preparation and characterization of nanohydroxyapatite doped with silver and investigation of their antibacterial and cytotoxicity properties","authors":"Mohammad Akbary,&nbsp;Mojtaba Ghobaei-Arani,&nbsp;Niloofar Farahmand,&nbsp;Majid Nejati,&nbsp;Amin Moradi Hasanabad,&nbsp;Amir Hossein Mohammadi,&nbsp;Mahdi Fasihi-Ramandi,&nbsp;Saeid Pourmasoud,&nbsp;Ali Sobhaninasab","doi":"10.1016/j.rechem.2026.103977","DOIUrl":"10.1016/j.rechem.2026.103977","url":null,"abstract":"<div><h3>Aim</h3><div>In the present study, silver-doped nanohydroxyapatite was synthesized, and its antibacterial activity against <em>Streptococcus mutans</em> and <em>Escherichia coli</em>, as well as its cytotoxicity against HeLa cells, was investigated.</div></div><div><h3>Materials and methods</h3><div>Hydroxyapatite nanoparticles and silver-doped hydroxyapatite nanoparticles were synthesized. The antibacterial activity of the synthesized nanoparticles was evaluated by determining the minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC). Cytotoxicity was assessed using the MTT assay on HeLa cells.</div></div><div><h3>Results</h3><div>The MIC values of pure nanohydroxyapatite and cold ceramic against <em>S. mutans</em> and <em>E. coli</em> were greater than 10 mg/mL. In contrast, silver-doped nanohydroxyapatite showed a lower MIC value of 2.5 mg/mL against both bacterial strains, indicating enhanced antibacterial activity. The MTT assay results showed that silver-doped nanohydroxyapatite had higher cytotoxicity than pure nanohydroxyapatite, while pure nanohydroxyapatite showed greater cytotoxicity than cold ceramic.</div></div><div><h3>Conclusion</h3><div>Silver doping increased the antibacterial activity of nanohydroxyapatite compared with pure nanohydroxyapatite and cold ceramic. However, silver incorporation also increased cytotoxicity. Therefore, although silver-doped nanohydroxyapatite demonstrates promising antibacterial potential, its silver concentration should be carefully optimized to balance antimicrobial efficacy and biocompatibility.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"31 ","pages":"Article 103977"},"PeriodicalIF":5.8,"publicationDate":"2026-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149348922","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design of a novel electrochemical sensor based on a sol–gel molecularly imprinted polymer for rapid and selective detection of catechol","authors":"Mohammad Hossein Mashhadizadeh,&nbsp;Pegah Khodami","doi":"10.1016/j.rechem.2026.104019","DOIUrl":"10.1016/j.rechem.2026.104019","url":null,"abstract":"<div><div>Catechol, with widespread industrial applications, is one of the major contaminants of water and soil, even at low concentrations, poses a serious threat to human health and the environment due to its high toxicity and low degradation rate. In this study, a novel molecularly imprinted polymer (MIP)–based electrochemical sensor was designed for the detection and determination of catechol using a sol–gel method and self-assembly of a thiol-containing monomer on the surface of a gold electrode; for this purpose, 3-mercaptopropyltrimethoxysilane and tetraethyl orthosilicate were employed as the functional monomer and cross-linker, respectively. This approach simultaneously offers the advantages of the sol–gel mechanism and molecular imprinting, while overcoming the limitations of previous MIP-based catechol sensors, including synthesis complexity, high cost, and the need for nanomaterials and adhesives such as Nafion. Cyclic voltammetry results and SEM images demonstrated that the designed sensor possesses specific recognition sites for catechol with suitable performance. The effects of variables such as the type and concentration of catalyst, polymerization time, template removal process, amounts of monomers, and buffer pH were investigated and optimized. Using differential pulse voltammetry, a linear range of 10–3000 μM and a detection limit of 5 μM for catechol were obtained, along with satisfactory repeatability (RSD = 1.12%). Moreover, the designed sensor exhibited high selectivity toward catechol in the presence of other interfering compounds. Urban water was examined as a real sample for catechol determination, proving satisfactory results.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"31 ","pages":"Article 104019"},"PeriodicalIF":5.8,"publicationDate":"2026-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149348923","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Global phosphoproteomics uncovers PANK2 phosphorylation sites and co-phosphoregulation networks","authors":"Athira C. Rajeev,&nbsp;Althaf Mahin,&nbsp;Athira Perunelly Gopalakrishnan,&nbsp;Prathik Basthikoppa Shivamurthy,&nbsp;Rajesh Raju","doi":"10.1016/j.rechem.2026.104004","DOIUrl":"10.1016/j.rechem.2026.104004","url":null,"abstract":"<div><div>Pantothenate kinase 2 (PANK2) is a mitochondrial enzyme that catalyzes the rate-limiting phosphorylation of pantothenic acid in coenzyme A (CoA) biosynthesis. Mutations in PANK2 cause pantothenate kinase-associated neurodegeneration (PKAN), a rare neurodegenerative disorder characterized by CoA deficiency, mitochondrial dysfunction, iron accumulation, and ferroptosis. This study provides a systematic, phosphoproteome-wide characterization of PANK2 regulation by integrating human phosphoproteomics data curated from 3825 studies, yielding 2359 datasets (2061 profile; 298 differential) reporting a Class-1 PANK2 phosphosite. We identify S168, S169, and S189 as the predominant phosphosites, located primarily in disordered regions outside the catalytic domain. Through high-confidence co-phosphoregulation analysis, we map extensive networks of positively and negatively co-phosphoregulated phosphosites on other proteins (PsOPs), along with potential upstream kinases including AKT1/2, ULK1, and MAPK pathway components, phosphatases e.g., PTPN1, CDC25B, and binary interactors like KSR1 and NFKB1. These correlative findings extend prior biochemical evidence of direct AKT phosphorylation of PANK2 and generate testable hypotheses regarding broader phospho-regulatory networks. Experimental validation will be required to establish causality and functional relevance for PKAN and CoA-deficiency disorders.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"31 ","pages":"Article 104004"},"PeriodicalIF":5.8,"publicationDate":"2026-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149348925","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Whole-cell biocatalytic acyloin condensation of benzaldehyde by baker's yeast: CC bond formation and 1H NMR analysis of product selectivity","authors":"Amir Majd,&nbsp;Maziar Hakim,&nbsp;Javad Hamedi","doi":"10.1016/j.rechem.2026.103957","DOIUrl":"10.1016/j.rechem.2026.103957","url":null,"abstract":"<div><div>Whole-cell biocatalysis provides an experimentally accessible system for examining carbon–carbon bond formation alongside competing endogenous reactions. This article is structured as an undergraduate laboratory course in sustainable organic synthesis centered on the biotransformation of benzaldehyde by <em>Saccharomyces cerevisiae</em>, with particular emphasis on pyruvate decarboxylase-mediated acyloin condensation to phenylacetylcarbinol (PAC) and competing reductive pathways. The workflow combines yeast cultivation, benzaldehyde biotransformation, crude-product recovery, creatine–α-naphthol colorimetric assay, and ¹H NMR analysis. The colorimetric response provided preliminary evidence consistent with α-hydroxy ketone formation, while diagnostic NMR signals supported PAC formation and revealed a mixed product profile arising from carboligation and reduction. Relative integration of selected non-overlapping resonances was used to estimate apparent benzaldehyde conversion and relative product distribution. Because no chiral analysis was performed, no direct stereochemical assignment is made; the expected R configuration is based on the established literature. Overall, the experiment provides an integrated model of competing whole-cell biotransformations, linking microbial culture, product recovery, and spectroscopic analysis in an upper-division laboratory setting.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"31 ","pages":"Article 103957"},"PeriodicalIF":5.8,"publicationDate":"2026-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149348926","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Visible-light assisted photo-Fenton degradation of textile dye effluents using NiFe2O4/biochar nanocomposite","authors":"Hozefa Dhila,&nbsp;Abhishek Bhapkar,&nbsp;Shekhar Bhame","doi":"10.1016/j.rechem.2026.103770","DOIUrl":"10.1016/j.rechem.2026.103770","url":null,"abstract":"&lt;div&gt;&lt;div&gt;The rapid growth in industrialization increases the water pollution and impacts ecosystem and human health. The increasing dye pollutants discharged from textile industrial wastewater consistently accumulated in large amount in fresh water bodies. In recent years, biochar based nanocomposites have been utilized as eco-friendly materials for remediation of dye pollutants. In the present work, biochar derived from wood residues of sawmill (WRB) was utilized as support for the fabrication of NiFe&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;4&lt;/sub&gt;/WRB nanocomposites and investigated for photo-Fenton degradation of textile dye effluents, methylene blue (MB) and Acid Red 27 (AR27). Different wt% of WRB (25%, 50% &amp; 75%) loaded over NiFe&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;4&lt;/sub&gt; to prepare NiFe&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;4&lt;/sub&gt;/WRB nanocomposites that shows higher degradation efficiency than pure NiFe&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;4&lt;/sub&gt;. These magnetic nanocomposites (NiFe&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;4&lt;/sub&gt;/WRB) were synthesized via hydrothermal method and characterized by comprehensive analytical techniques to study the structural, morphological and optical properties. X-ray diffraction (XRD) analysis revealed the average crystallite size of 7.35 nm while Brunauer-Emmett-Teller (BET) studies confirmed a mesoporous surface with high specific surface area of 187.63 m&lt;sup&gt;2&lt;/sup&gt;/g, 0.25 cm&lt;sup&gt;3&lt;/sup&gt;/g pore volume, and 3.85 nm average pore diameter for NiFe&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;4&lt;/sub&gt;/WRB3. FE-SEM analysis revealed high degree of particle agglomeration, while EDX analysis confirmed the presence of Ni, Fe, and O atoms, further confirming the absence of impurity elements. FT-IR spectra examined the presence of surface functional groups and chemical interactions between NiFe&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;4&lt;/sub&gt; and WRB while Raman spectrum shows the phase purity. UV–vis spectroscopy revealed the increase in band gap with increasing wt% ratio of WRB from 1.68 eV for pure NiFe&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;4&lt;/sub&gt; to 1.94 eV for NiFe&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;4&lt;/sub&gt;/WRB3 nanocomposite. The magnetic properties of pure NiFe&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;4&lt;/sub&gt; and optimized NiFe&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;4&lt;/sub&gt;/WRB3 were investigated by Vibrating Sample Magnetometry (VSM) at room temperature confirms the magnetic nature of composite by the obtained (M-H) hysteresis loop. Under the optimized conditions, the photo-Fenton reaction against MB, AR27 and real industrial effluent (RIE) using NiFe&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;4&lt;/sub&gt;/WRB3 revealed 95% for 5 ppm MB and 91.43% for 10 ppm AR27 degradation on exposure to visible irradiation within 90 min, while 64.52% of RIE and 87.6% of mixed dyes degraded in 90 min. Various operational parameters such as catalyst loading, pH of the dye solution, initial amount of H&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;2&lt;/sub&gt; critically influenced the photo-Fenton degradation process. All degradation reactions followed first-order kinetics (R&lt;sup&gt;2&lt;/sup&gt; &gt; 0.95), and the NiFe&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;4&lt;/sub&gt;/WRB3 demonstrated excellent stability over five cycles by maintaining &gt;80% d","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"29 ","pages":"Article 103770"},"PeriodicalIF":5.8,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148854597","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Magnetically recoverable WS2/SnO2/graphite/Fe3O4 nanocomposite for sonophotocatalytic degradation of cefalexin: optimization via RSM-CCD and mechanistic insights","authors":"Afsaneh Pezhhan,&nbsp;Payam Arabkhani,&nbsp;Hossein Esmaeili,&nbsp;Arash Asfaram,&nbsp;Parham Rohi Najafabadi","doi":"10.1016/j.rechem.2026.103767","DOIUrl":"10.1016/j.rechem.2026.103767","url":null,"abstract":"<div><div>The widespread occurrence of antibiotic residues in aquatic environments has increased the demand for efficient and sustainable water treatment technologies. In this study, a magnetically recoverable tungsten disulfide/tin dioxide/graphite/magnetite nanocomposite (WS₂/SnO₂ /graphite/Fe₃O₄, WSGF) was successfully synthesized and applied as a sonophotocatalyst for cefalexin degradation under simultaneous ultraviolet (UV) irradiation and ultrasonic (US) irradiation. The effects of solution pH, initial cefalexin concentration, catalyst dosage, and reaction time were optimized using response surface methodology (RSM) based on a central composite design (CCD). The results demonstrated a pronounced synergistic effect between UV irradiation, ultrasound, and WSGF nanocomposite, while the individual processes showed considerably lower degradation efficiencies. Under the optimum conditions of pH 7.0, an initial cefalexin concentration of 150 mg L⁻¹, a catalyst dosage of 40 mg, and a reaction time of 120 min, the experimental degradation efficiency of 98.43 ± 1.32 was achieved, which was in close agreement with the value predicted by the CCD-RSM model. Radical scavenging experiments identified ^•OH radicals and photogenerated holes (h⁺) as the dominant reactive species, whereas carbonate ions showed the strongest inhibitory effect because of their radical scavenging behavior. Furthermore, the magnetic Fe₃O₄ component enabled rapid catalyst recovery and repeated reuse with minimal loss of activity, while XRD analysis confirmed excellent structural stability after multiple cycles. High degradation efficiencies were also obtained in river water, hospital effluent, and municipal wastewater, demonstrating the robustness of the developed system in complex water matrices. In addition, LC-MS analysis confirmed the formation of lower-molecular-weight oxidation intermediates during cefalexin degradation. Overall, the WSGF-based sonophotocatalytic system offers an efficient, reusable, and practical approach for the treatment of antibiotic-contaminated wastewater.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"29 ","pages":"Article 103767"},"PeriodicalIF":5.8,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148854599","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Catalytic valorization of oriented polystyrene waste into high-grade liquid fuel: Kinetic and thermodynamic insights into an energy-efficient reaction pathway","authors":"Selpiana Selpiana,&nbsp;Dino Dewantara,&nbsp;Nina Haryani,&nbsp;Susi Susanti,&nbsp;Abidah Khairunniswah,&nbsp;Muhammad Rendana","doi":"10.1016/j.rechem.2026.103782","DOIUrl":"10.1016/j.rechem.2026.103782","url":null,"abstract":"<div><div>The growing accumulation of Oriented Polystyrene (OPS) waste necessitates efficient catalytic technologies that support resource recovery within a circular economy. This study investigates the thermal-catalytic conversion of OPS into high-grade liquid fuel using a defect spinel γ-Al₂O₃ solid acid catalyst. Isothermal cracking experiments were conducted at 350–500 °C with catalyst loadings ranging from 0 to 20 wt%, and the reaction mechanism was elucidated through solid-state kinetic modeling coupled with activated complex thermodynamic analysis.</div><div>The optimum condition (450 °C, 5 wt% γ-Al₂O₃) produced a high-quality liquid fuel with a gasoline-equivalent fraction of 73.9–75.6% and a high heating value of approximately 40.3 MJ/kg. Kinetic analysis revealed that this optimum catalyst loading fundamentally altered the rate-determining step, shifting the reaction from diffusion-controlled degradation to first-order kinetics dominated by catalytic C<img>C bond cleavage. This transition resulted in a massive surge in the apparent pre-exponential factor (<em>A</em> = 146.49 min⁻¹), which effectively offset the apparent activation energy barrier. This interplay reflects a significantly enhanced apparent molecular collision frequency, which thermodynamically yields a lower Gibbs free energy of activation (Δ<em>G</em>^‡). In contrast, excessive catalyst loadings (15–20 wt%) promoted steric hindrance and pore blockage arising from the bulky phenyl structure of OPS, restricting reactant accessibility and shifting the reaction back toward a diffusion-controlled regime. These findings demonstrate that optimizing γ-Al₂O₃ loading not only maximizes liquid fuel production but also improves the energetic efficiency of catalytic depolymerization through favorable kinetic and thermodynamic pathways. The mechanistic insights provide a scientific basis for designing energy-efficient catalytic processes for plastic waste valorization and advancing the fundamental development of low-carbon waste-to-fuel technologies.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"29 ","pages":"Article 103782"},"PeriodicalIF":5.8,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148854554","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Green mechanochemical synthesis of bis-imine derivatives: Multi-target docking, MD simulations, and in silico evaluation as potential antibacterial agents","authors":"HemanthKumar Dharmapuri,&nbsp;György Marcell Tokaji,&nbsp;R. Udaya Rajesh,&nbsp;Béla Fiser,&nbsp;A. Singhal","doi":"10.1016/j.rechem.2026.103762","DOIUrl":"10.1016/j.rechem.2026.103762","url":null,"abstract":"<div><div>This study reports a green, solvent-free mechanochemical synthesis of novel bis-imine derivatives, offering a rapid and sustainable alternative to conventional thermal methods. The target compounds were obtained in 10 to 15 min via grinding, compared to 60 to 90 min under reflux. Although mechanochemical method yields (48–64%) were moderately lower than conventional yields (53–83%), the approach significantly reduces reaction time and eliminates the use of organic solvents. All the synthesized compounds were structurally characterized using ¹H NMR, ¹³C NMR, HR-MS, FT-IR, and CHN analysis. Molecular docking against four bacterial targets (DNA Gyrase, Topoisomerase IV, Dihydropteroate Synthetase, and tRNA Synthetase) identified tRNA Synthetase and DNA Gyrase as the most promising ones based on docking scores. To further validate the stability of the protein-ligand interactions, 100 ns molecular dynamics (MD) simulations were performed on all the ligands in complexed with tRNA Synthetase and DNA Gyrase using GROMACS. Additional ADMET predictions have been done to describe toxicity and pharmacological properties of the synthesized bis-imines. This work combines synthetic and computational approaches to highlight the potential of mechanochemically synthesized bis-imines to identify promising candidates that may be useful for developing new antibacterial agents against resistant bacteria.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"29 ","pages":"Article 103762"},"PeriodicalIF":5.8,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148854572","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}