ChemistryOpen最新文献

{"title":"Molecular Networking-Driven Chemical Profiling, Characterization, and Antibacterial Effects of Cuo Nanoparticles Synthesized from Citrus Unshiu Peel Extract.","authors":"Livhuwani Mafhala, Shohreh Azizi, Ilunga Kamika","doi":"10.1002/open.202500374","DOIUrl":"https://doi.org/10.1002/open.202500374","url":null,"abstract":"<p><p>Molecular networking has emerged as a new in silico tool for analyzing liquid chromatography-mass spectrometry (LC-MS) data for better annotation and elucidation of novel compounds and different pathways. Green synthesized nanoparticles (NPs) have gained considerable attention as a result of their effectiveness in possessing good antimicrobial activity. Their eco-friendly nature and cost-effective synthesis have positioned them as sustainable nanomaterials in various fields. However, not much is known about the mechanism underlying the green synthesis of NPs. Therefore, herein, the copper oxide NPs (CuO NPs) are fabricated, and ultrahigh performance liquid chromatography-quadrupole time of flight mass spectrometry based molecular networking is utilized to understand the phytochemical relationship between the crude extract and the NPs, outlining metabolites that might be involved in reduction. Moreover, CuO NPs synthesized from Citrus unshiu fruit peels are tested for their antimicrobial and cytotoxic activities. Various characterization methods, such as X-ray diffraction, UV-vis spectroscopy, scanning electron microscopy-energy dispersive X-ray analysis, Fourier transform infrared, dynamic light scattering, and transmission electron microscopy, are employed to provide comprehensive insights into the atomic and structural characteristics of NPs. Molecular network reveals the presence of different metabolites such as isosakuranetin-7-O-rutinoside, hesperidin, skullcapflavone II, homoorientin, eupatorin-5-methylether, scoparin, and vitexin, which are recognized as antimicrobial and reducing agents. Additionally, the synthesized CuO NPs show exceptional antibacterial efficacy with a low minimum inhibitory concentration on Staphylococcus aureus, Bacillus cereus, Escherichia coli, and Salmonella typhimurium, highlighting the potential of using LC-MS to explain the antimicrobial properties and green synthesis pathway.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e202500374"},"PeriodicalIF":3.1,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145085301","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Polylactic- Glycolic Acid Microparticles-Encapsulated Prostaglandin E1 as A Novel Strategy In Triple Negative Breast Cancer.","authors":"Concetta Di Natale, Elena Lagreca, Raffaele Crispino, Roberta D'Auria, Alessandro Attanasio, Rezvan Jamaledin, Raffaele Vecchione, Paolo Antonio Netti","doi":"10.1002/open.202500364","DOIUrl":"https://doi.org/10.1002/open.202500364","url":null,"abstract":"<p><p>Triple-negative breast cancer (TNBC) is characterized by unique clinical and pathological traits, from which its aggressive nature and the absence of specific treatments are the most worrying. Prostaglandin E₁ (PGE₁) can affect the morphology of human breast tumor cell lines, but its potential therapeutic effects appear to be counteracted by its high degradability in physiological environments. For this reason, polylactic-glycolic acid polymeric microparticles (MPs) are developed to stabilize PGE₁ in damp conditions and enable sustained local release for the treatment of TNBC after surgical removal of the tumor mass. Specifically, the PGE₁ embedded MPs are produced using a double emulsion solvent-evaporation method, then analyzed through Mastersizer and scanning electron microscopy. Afterward, the encapsulation efficiency and the PGE₁ release are examined using liquid chromatography-mass spectrometry, and their stability at various storage temperatures is assessed. Finally, the carrier toxicity is evaluated in TNBC cells and colon adenocarcinoma epithelial cells, Caco-2. A reliable action on carcinogenic cells specific to breast cancer is observed. Although in vivo studies are still needed, these results open the way to using such a carrier for the intralesional delivery of PGE₁ and its use against TNBC.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e202500364"},"PeriodicalIF":3.1,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145085355","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"One-Pot Synthesis of Novel β-Carboline-{α-Acylaminoamide}-Bisindole Derivatives: Antibacterial Evaluation, Molecular Docking, and Density Functional Theory Studies.","authors":"Ankit Kumar Atri, Lavanya Khullar, Gobind Kumar, Sahil Mishra, Tamanna Dua, Vinay Singh, Kusum Harjai, Parvesh Singh, Vasundhara Singh","doi":"10.1002/open.202500245","DOIUrl":"https://doi.org/10.1002/open.202500245","url":null,"abstract":"<p><p>A new series of β-carboline-{α-acylaminoamide}-bisindole hybrids (12a-l) is designed and synthesized employing an atom-economical one-pot Ugi four-component reaction (U-4CR), affording the target compounds in good yields. All synthesized compounds (12a-l) are characterized by NMR, infrared, and mass spectrometry and evaluated for their antibacterial activity against both Gram-positive and Gram-negative strains. Notably, compounds 12b, 12g, and 12h display comparable minimum inhibitory concentrations values (302-303 µg mL^-1) against multidrug-resistant Acinetobacter baumannii and Pseudomonas aeruginosa, showing markedly improved activity relative to their parent compounds 6 and 9, which show weaker inhibition (MIC = 308-623 µg mL^-1). Molecular docking studies of compounds 12g and 12h revealed favorable binding interactions with DNA gyrase, while density functional theory analysis supported their electronic reactivity. These findings highlight the potential of molecular hybridization in the development of novel antibacterial agents.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e202500245"},"PeriodicalIF":3.1,"publicationDate":"2025-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145074569","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Advancements in Catalyst Design for Biomass-Derived Bio-Oil Upgrading to Sustainable Biojet Fuel: A Comprehensive Review.","authors":"Thandiswa Jideani, Ntalane Sello Seroka, Lindiwe Khotseng","doi":"10.1002/open.202500353","DOIUrl":"https://doi.org/10.1002/open.202500353","url":null,"abstract":"<p><p>Biomass-derived bio-oil, produced through thermochemical methods such as pyrolysis and hydrothermal liquefaction, has immense potential as a renewable feedstock for aviation fuels because of its renewable nature and the potential to significantly reduce greenhouse gas emissions. The development of biojet fuel from renewable sources, such as biomass, is a critical step toward achieving global energy sustainability and reducing the carbon footprint of the aviation industry. This review aims to provide a comprehensive analysis of the advances in catalyst design to upgrade biomass-derived oil to biojet fuel. The review will also explore the mechanisms by which these catalysts operate, the optimization of catalytic processes, and the performance metrics used to evaluate their efficiency. Recent case studies demonstrate the effectiveness of catalyst design in enabling efficient and sustainable conversion of biomass-based bio-oil into high-quality fuels, advancing the viability of renewable energy sources in aviation and beyond.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e202500353"},"PeriodicalIF":3.1,"publicationDate":"2025-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145063627","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Morphological Modification of Metal Oxide Nanomaterials Using Different Types of Organic Modifiers.","authors":"Taskiya Akter, Asiful Islam, Abdullah Al Miad, Md Kawcher Alam, Samina Ahmed, Md Sahadat Hossain","doi":"10.1002/open.202500342","DOIUrl":"https://doi.org/10.1002/open.202500342","url":null,"abstract":"<p><p>Organic modifiers make incorporating nanoparticles into composite components easier, improving their optical, mechanical, and electrical characteristics. By altering the dimension, arrangement, aggregation, and surface characteristics of the nanoparticles, organic modifiers are thought to be an efficient way to regulate the morphology of nanometal oxides. This can be evaluated by the synthesis and modification of nanometal oxides using various organic agents, such as tiny ligands, various acids, polymers, and so on. Organic modifiers improve crystallinity, bind to oxide surfaces efficiently, and cause morphological changes, reducing agglomeration, raising surface roughness, and exposing more reactive facets according to XRD, FT-IR, BET, SEM, and TEM investigations. In comparison to unmodified oxides, the results showed that organic modifiers greatly decreased agglomeration, regulated particle size distribution, and improved crystallinity. In general, surface modification with organic modifiers is necessary to maximize the effectiveness of nanoparticles for many reasons, such as materials research, drug delivery, diagnosis, and catalytic processes. In this review, we primarily presented several methods for applying organic modifiers to modify the surface of nanocrystals. Here, we mainly focused on the structural modification of six types of metal oxides (TiO₂, Fe₃O₄, ZnO, Al₂O₃, CuO, NiO) via organic modifiers that are commonly used in various nanoparticle-based applications. The reason behind choosing these six nanoparticles is that they are common in use and there are no such review papers where all the surface modification information is accumulated. The results of this study will assist future researchers in carefully choosing organic modifiers that can be used as a successful method of modifying the morphology of nanometal oxides to satisfy particular functional requirements in technologically sophisticated applications. The importance of organic modifiers in developing nanoparticle technology and propelling advancements in various scientific and industrial fields is also highlighted in this review.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e202500342"},"PeriodicalIF":3.1,"publicationDate":"2025-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145052201","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploration of Cytotoxicity and Antibacterial Activities of M-Ceo₂ (M = Ag, Cu, Te, and Ta) Nanoparticles.","authors":"Faiza Qureshi, Suhailah S Aljameel, Muhammad Nawaz, Mohammad Azam Ansari, Firdos Alam Khan, Sultan Akhtar, Mariam Ali Alsayed, Mohammad J Akbar, Muzaheed","doi":"10.1002/open.202500278","DOIUrl":"https://doi.org/10.1002/open.202500278","url":null,"abstract":"<p><p>This study focuses on the ultrasonic synthesis of M-CeO₂ (M = Ag, Cu, Te & Ta) nanoparticles (NPs) and screening of their cytotoxicity and antibacterial activities. The prepared NPs are characterized by different techniques such as X-ray diffraction, transmission electron microscope, SEM-EDX,DR-UV-visible spectrophotometer, and dynamic light scattering analysis. The cytotoxicity of M-CeO₂ nanoparticles are assessed against cancer cells such as colorectal carcinoma (HCT-116) and cervical cancer cells (HeLa) and non-cancer cells (embryonic kidney cells HEK-293). The effect of post-48 h treatment of CeO₂, Ag-CeO_2, Cu-CeO₂, Te-CeO₂, and Ta-CeO₂, on HCT-116 and HeLa cells showed a noteworthy reduction in cell viability. The treatments of Ag-CeO₂ also display a reduction in cancer cell viability but statistically not significant. The treatment of CeO₂ shows better inhibitory action on HCT-116 and HeLa cells. HEK-293 is treated with CeO_2, Ag-CeO_2, Cu-CeO₂, Te-CeO_2, and Ta-CeO₂ NPs with the same dosages, there is a minor decline in the cell number, but the percentage of cells viability is greater than HCT-116 and HeLa cells. The antibacterial activity of NPs against E. coli and S. aureus is tested, and Te-CeO₂ NPs show better antibacterial activity. The lowest MIC displayed by Te-CeO₂ is 0.25 mg mL^-1 against E. coli and 4 mg mL^-1 for S. aureus, respectively.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e202500278"},"PeriodicalIF":3.1,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145039059","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Development of 5-Amino-2,4,6-triiodoisophthalic Acid Derivatives for Carbamoylation of Amino Acids.","authors":"Kousaku Ohkawa, Tracy Nguyen, Chloe Jin, Hemdeep Kaur, Beatrice Mae Malvar, Rebecca Back, Parisa Khosropour, Shuichi Suzuki, Frank P K Hsu, Ichiro Yuki","doi":"10.1002/open.202500174","DOIUrl":"https://doi.org/10.1002/open.202500174","url":null,"abstract":"<p><p>Herein, 5-amino-2,4,6-triiodoisophthalic acid (ATIIPA) is used as a nucleophile to produce the corresponding 1,3-diesters. Two types of 1,3-diesters, i) diethyl 5-amino-2,4,6-triiodoisophthalate (DEtTIIP) and ii) diacetoxyethyl 5-amino-2,4,6-triiodoisophthalate (DAcOEtTIIP), are mostly prepared in quantitative yields. The 1,3-esters are tested as a carbamoylation agent toward the amino groups of the βAla esters via isocyanation of the 5-amino group. The addition reaction of DEtTIIP-NCO and βAla-OEt yields DEtTIIP:CO-βAla-OEt, and the 1,3-diethyl ester is highly resistant to alkaline hydrolysis due to the steric shielding by the adjacent 2,4,6-iodines, while the α-ethyl ester of the βAla substructure is easily removed. Alkaline hydrolysis of another adduct, DAcOEtTIIP:CO-βAla-O^tBu, removes only the 1,3-acetoxy ethyl groups to form the product DAcOHTIIP:CO-βAla-O^tBu, and the acidic fission of the -O^tBu ester is quantitative to give DAcOEtTIIP:CO-βAla. These results indicate that the DAcOEtTIIP is a feasible precursor for the N-carbamoylation of the amino acid esters, preserving the freedom for selective ester deprotection, which further inspires the design of contrast molecules using amino acids and peptides.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e202500174"},"PeriodicalIF":3.1,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145039076","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A Robust Nanocatalyst Incorporating Multi-Walled Carbon Nanotubes Infused with Magnetic Nanoparticles and Biguanide-Silver Nanoparticles for Multicomponent Synthesis of Benzopyrano-Pyrimidines.","authors":"Anwer Ali Mueen, Suranjana V Mayani, Suhas Ballal, Shaker Al-Hasnaawei, Abhayveer Singh, Kattela Chennakesavulu, Kamal Kant Joshi, Reza Mohammadi","doi":"10.1002/open.202500398","DOIUrl":"https://doi.org/10.1002/open.202500398","url":null,"abstract":"<p><p>A highly efficient and environmentally friendly synthetic method has been developed for the preparation of benzopyrano-pyrimidines using multi-walled carbon nanotubes/magnetic nanoparticles-Biguanide-Ag NPs as a heterogeneous nanocatalyst in choline chloride-urea (ChCl-Urea) deep eutectic solvent. This approach offers numerous advantages, including high isolated yields (86-99%) and short reaction times (10-70 min), along with broad substrate compatibility for both electron-donating and electron-withdrawing functional groups. The method exhibits excellent catalytic efficiency, with high turnover numbers and turnover frequencies, even at low catalyst loading. The use of ChCl-Urea as a green, biodegradable, and nonvolatile solvent aligns with sustainable chemistry principles and allows for easy solvent recovery. Additionally, the magnetic nanocatalyst is easily recoverable and reusable, maintaining activity over multiple cycles. Operational simplicity, mild conditions, and one-pot multi-component reaction design further enhance the method's scalability and synthetic utility. Given the biological relevance of benzopyrano-pyrimidines, this strategy presents a valuable platform for green synthesis in medicinal chemistry and pharmaceutical development.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e202500398"},"PeriodicalIF":3.1,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145052211","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Metabolism of Epoxidised Withanolides by a Generalist and a Specialist Insect Species.","authors":"Marie Pauline Sell, Christian Paetz, Felix Feistel, David G Heckel, Yannick Pauchet","doi":"10.1002/open.202500359","DOIUrl":"https://doi.org/10.1002/open.202500359","url":null,"abstract":"<p><p>Major secondary metabolites of Physalis plants, epoxidized withanolides, have a potent feeding deterrent and growth inhibitory effect on most herbivorous insects. Caterpillars of the specialist moth species Heliothis (Chloridea) subflexa consume only Physalis fruits, whereas the closely related generalist Heliothis (Chloridea) virescens feeds on 14 different plant families, but not Physalis. The two species have different physiological responses to dietary withanolides, so it is wondered whether they metabolize withanolides differently. The Physalis peruviana plants are grown in a [¹³C]CO₂-supplied atmosphere, 4β-hydroxywithanolide E is isolated and purified from the leaves, and the compound is fed to the caterpillars. Subsequent high-performance liquid chromatography with diode array UV-vis detection coupled to high-resolution electrospray ionization mass spectrometry (HPLC-DAD-HRESIMS) and nuclear magnetic resonance (NMR) analyses of the main metabolite isolated from the frass show that both species convert 4β-hydroxywithanolide E mainly to withanolide S, probably by the action of an epoxide hydrolase. Withanolide S is completely characterized regarding its NMR and electronic circular dichroism data. To date, this is the first study to analyze the fate of withanolides after ingestion by insects.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e202500359"},"PeriodicalIF":3.1,"publicationDate":"2025-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145032911","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Series of Microporous Redox-Active Pillared Metal-Organic Frameworks Based On Alloxazine Ligands.","authors":"Jaison Casas, Alexios I Vicatos, Leonard J Barbour, Nathalie Kyritsakas, Abdelaziz Jouaiti, Sylvie Ferlay","doi":"10.1002/open.202500461","DOIUrl":"https://doi.org/10.1002/open.202500461","url":null,"abstract":"<p><p>Two series of robust pillared metal-organic frameworks (MOFs) are obtained under solvothermal conditions by combining a metal salt with either H₂bpdc, biphenyl-4,4'-dicarboxylic acid, or H₂pda, 1,4-phenylenediacrylic acid, forming 2D layers, which are pillared by L, an alloxazine derivative of 1,4-di(pyridin-4-yl)benzene using a one-pot three-component strategy. Crystallographic studies reveal the formation of two isomorphous series of compounds, namely 1-M (from H₂bpdc with M = Co, Ni, Cu, and Zn) and 2-M (from H₂pda with M = Co or Cu). The multifunctional compounds have high decomposition temperatures, and their sorption properties were measured, revealing relatively low surface areas. Furthermore, 1-Zn displays a moderate uptake of CO₂ and C₂H₄ at high pressures. In addition, for 1-M (M = Co, Cu or Zn), solid-state electrochemistry reveals redox behavior for the MOF, centered on the ligand. This study provides evidence for the first account of a one-pot formation of redox-active pillared MOFs, which exhibit gas sorption abilities before the reduction.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e202500461"},"PeriodicalIF":3.1,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145029041","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}