ChemistryOpenPub Date : 2025-06-05DOI: 10.1002/open.202500223
Martina Dragone, Gianluca D'Abrosca, Antonia D'Aniello, Domenico Alberga, Getasew Shitaye, Rinaldo Grazioso, Stefano Tomassi, Luigi Russo, Roberto Fattorusso, Salvatore Di Maro, Giuseppe F Mangiatordi, Michele Saviano, Gaetano Malgieri, Carla Isernia, Rosa Iacovino
{"title":"β-Cyclodextrin Inclusion Complexes with Model Pentapeptides: Role of the Tyrosine Position within the Peptide Chain.","authors":"Martina Dragone, Gianluca D'Abrosca, Antonia D'Aniello, Domenico Alberga, Getasew Shitaye, Rinaldo Grazioso, Stefano Tomassi, Luigi Russo, Roberto Fattorusso, Salvatore Di Maro, Giuseppe F Mangiatordi, Michele Saviano, Gaetano Malgieri, Carla Isernia, Rosa Iacovino","doi":"10.1002/open.202500223","DOIUrl":"https://doi.org/10.1002/open.202500223","url":null,"abstract":"<p><p>Peptide's applications frequently present problems of solubility, stability, activity, or membrane permeability. To overcome these issues, cyclodextrins (CDs) can be used to form inclusion complexes with peptide hydrophobic parts; alkyl-chains or aromatic-rings inclusion strongly influences the interacting peptide properties. The study of model tripeptides has revealed that, among the three aromatic amino acids, tyrosine is the best suited to be included within CDs. The interaction with β-CD of five model peptides (Tyr1-5), each constituted by one tyrosine and four alanines, is reported: the tyrosine occupies one of the five position within each peptide chain. Among natural CDs, β-CD has been chosen as it is the most economic, used, and only moderately toxic; its cavity size is the best suited to accommodate the tyrosine ring. Stoichiometry and affinity of each complex are evaluated and in silico and experimental data to describe the molecular determinants of each interaction are combined. The data further defines the role of the aromatic ring position in dictating the stability of formed complexes and demonstrates Tyr3, with its central Tyr, as the most stable complex. Noteworthy, the interaction with β-CD induces Tyr3 to assume a U-shaped conformation representing a nice example of conformation stabilization upon formation of inclusion complexes.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500223"},"PeriodicalIF":2.5,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144233343","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}
ChemistryOpenPub Date : 2025-06-04DOI: 10.1002/open.202580601
Panagiota M. Kalligosfyri, Antonella Miglione, Alessia Esposito, Raghad Alhardan, Gabriella Iula, Iclal Atay, Ibrahim A. Darwish, Sevinc Kurbanoglu, Stefano Cinti
{"title":"Front Cover: Flexible Screen-Printed Electrochemical Sensor for Alkaline Phosphatase Detection in Biofluids for Biomedical Applications (ChemistryOpen 6/2025)","authors":"Panagiota M. Kalligosfyri, Antonella Miglione, Alessia Esposito, Raghad Alhardan, Gabriella Iula, Iclal Atay, Ibrahim A. Darwish, Sevinc Kurbanoglu, Stefano Cinti","doi":"10.1002/open.202580601","DOIUrl":"https://doi.org/10.1002/open.202580601","url":null,"abstract":"<p><b>A flexible printed electrochemical</b> sensor capable of monitoring the activity of the alkaline phosphatase enzyme in human serum at the point of care is presented. It opens wide possibilities in clinical diagnostics; in fact, the under/over expression of this enzyme might be correlated to different diseases, from cardiovascular to cancer. The sensing system can be easily coupled to a smartphone for the readout, making the approach even more user friendly and decentralized. More details can be found in the Research Article by Panagiota M. Kalligosfyri, Sevinc Kurbanoglu, Stefano Cinti, and co-workers (DOI: 10.1002/open.202500113).\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"14 6","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.202580601","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144213765","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 : 2025-06-04DOI: 10.1002/open.202500096
Sviatoslava O Melnychuk, Sergii V Popov, Serhii B Babii, Andrii V Kulinich
{"title":"Asymmetric Ketocyanine Dyes with an Extended Polymethine Chain.","authors":"Sviatoslava O Melnychuk, Sergii V Popov, Serhii B Babii, Andrii V Kulinich","doi":"10.1002/open.202500096","DOIUrl":"https://doi.org/10.1002/open.202500096","url":null,"abstract":"<p><p>A series of long-chain ketocyanines (KCYs), in which chromophore asymmetry is achieved through the noncentral positioning of the acceptor carbonyl group and variation in the electron-donating ability of the end groups, is synthesized via sequential condensation reactions and isolated with good preparative yields. The obtained dyes exhibit positive solvatochromism, with its range increasing as the donor strength of the terminal groups grows and upon transition to higher vinylogs. The new KCYs are efficient fluorophores, with fluorescence quantum yields up to 40% and large Stokes shifts, while their fluorescence bands extend into the near-infrared (NIR) spectral region. Furthermore, the asymmetric KCYs are successfully transformed into the cationic polymethine-styryl derivatives, which exhibit absorption and fluorescence spectra that are significantly shifted toward longer wavelengths.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500096"},"PeriodicalIF":2.5,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144215051","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":"Ibuprofen-Functionalized Alkyl α-hydroxy Methacrylate-Based Polymers.","authors":"Burcu Balaban, Seckin Altuncu, Aleyna Esenturk, Simay Denizkusu, Ece Sabuncu, Hande Sipahi, Duygu Avci","doi":"10.1002/open.202500038","DOIUrl":"https://doi.org/10.1002/open.202500038","url":null,"abstract":"<p><p>Novel alkyl α-hydroxymethacrylate-based prodrugs are prepared to improve bioavailability, decrease toxicity, and control drug release. First, an ibuprofen (IBU)-functionalized methacrylate (TBMA-IBU) is synthesized from the reaction of tert-butyl α-bromomethacrylate with IBU. The free radical homopolymerization and copolymerization with poly(ethylene glycol) methyl ether methacrylate (M<sub>n</sub> = 300), cleavage of tert-butyl ester groups of the homopolymer and a copolymer with trifluoroacetic acid (TFA) gave new polymer prodrugs (p-TBMA-IBU, p-TBMA-IBU-co-PEGMA, p-MA-IBU, and p-MA-IBU-co-PEGMA), with IBU linked through ester bonds on the side chain. The release studies showed extended-release of IBU (20-60% in 15 d), which can be triggered under the stimulation of lipase. The in vitro studies indicate that the representative polymers are effective in relieving inflammatory responses in RAW264.7 macrophage cells without any cytotoxicity. These results suggest that the synthesized polymers with controllable functionality can be promising IBU prodrugs.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500038"},"PeriodicalIF":2.5,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144215052","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}
ChemistryOpenPub Date : 2025-06-01DOI: 10.1002/open.202500275
{"title":"CORRIGENDUM TO: Enzyme-Substrate Complex Formation and Electron Transfer in Nitrogenase-Like Dark-Operative Protochlorophyllide Oxidoreductase (DPOR).","authors":"","doi":"10.1002/open.202500275","DOIUrl":"https://doi.org/10.1002/open.202500275","url":null,"abstract":"","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500275"},"PeriodicalIF":2.5,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144198324","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}
ChemistryOpenPub Date : 2025-06-01DOI: 10.1002/open.202500149
Giuseppe Lanza
{"title":"Quantifying Molecular Properties of Hexagonal Water Clusters.","authors":"Giuseppe Lanza","doi":"10.1002/open.202500149","DOIUrl":"https://doi.org/10.1002/open.202500149","url":null,"abstract":"<p><p>Density functional theory and polarizable continuum model (DFT/M06-2X/PCM) calculations, which make use of Gaussian basis sets, have been carried out to study the molecular properties of large hexagonal water clusters as a model for ice Ih. The series of (H<sub>2</sub>O)<sub>n</sub> (n = 96-332) clusters has been designed to reduce dangling hydrogen bonds on the surface and to preserve hexagonal crystallinity as much as possible. Large cluster structures are very stable, and computed electronic energy and entropy show asymptotic behavior with data astonishingly close to experimental thermodynamics. An excellent computation/experimental comparison has also been obtained for the neutron and X-ray diffraction structural data, as well as for infrared, Raman, inelastic neutron, and hyper-Raman fundamental vibrational frequencies. The overall results suggest that the use of large-size clusters, together with reliable and standard quantum chemical methods, is a highly promising and safe methodology to investigate experimentally challenging phenomena in water science.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500149"},"PeriodicalIF":2.5,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144198325","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}
ChemistryOpenPub Date : 2025-05-28DOI: 10.1002/open.202400522
Sayumi Yamazoe, Qinqin Cheng, Srikanth Kotapati, Vangipuram S Rangan, Mei-Chen Sung, Madhura Deshpande, Aarti Jashnani, Cong Qiang, Michael J Smith, Chin Pan, Gavin Dollinger, Arvind Rajpal, Pavel Strop, Chetana Rao
{"title":"The Impact of Conjugation Mode and Site on Tubulysin Antibody-Drug-Conjugate Efficacy and Stability.","authors":"Sayumi Yamazoe, Qinqin Cheng, Srikanth Kotapati, Vangipuram S Rangan, Mei-Chen Sung, Madhura Deshpande, Aarti Jashnani, Cong Qiang, Michael J Smith, Chin Pan, Gavin Dollinger, Arvind Rajpal, Pavel Strop, Chetana Rao","doi":"10.1002/open.202400522","DOIUrl":"https://doi.org/10.1002/open.202400522","url":null,"abstract":"<p><p>Antibody-drug conjugates (ADCs) represent a prominent class of biotherapeutics engineered to selectively deliver cytotoxic payloads to tumors, thereby facilitating targeted cell killing. While first-generation ADCs, created by conjugating payloads to surface-accessible lysine or hinge-cysteine residues, have achieved clinical success, several site-specific ADCs with defined drug-to-antibody ratios are currently under clinical investigation. Herein, the efficacy, stability, and pharmacokinetics of ADCs generated by attaching the drug linker to surface-exposed lysine residues, hinge-cysteine residues, and the C'E loop in the CH2 domain (mediated by bacterial transglutaminase) using a tubulysin payload are compared. In N87 xenograft mice, the order of efficacy is C'E loop > hinge-cysteine > lysine-conjugated ADCs. Among the three ADCs evaluated, the site-specific ADC demonstrates superior in vivo stability (minimal payload-linker deconjugation and limited payload metabolism/deacetylation) and favorable pharmacokinetics (longer half-life, low clearance, high exposure). In contrast, the lysine-conjugated ADC exhibits the least stability and poorest pharmacokinetics, which directly correlate with its efficacy. Further investigation into cysteine-engineered site-specific ADCs with payloads conjugated at various sites confirms that both the conjugation chemistry and the site of conjugation significantly influence the in vivo stability and pharmacokinetics of site-specific ADCs.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2400522"},"PeriodicalIF":2.5,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144157055","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}
ChemistryOpenPub Date : 2025-05-24DOI: 10.1002/open.202500181
S Akin Olaleru, Nithyadharseni Palaniyandy, Bhekie B Mamba, Bonex W Mwakikunga
{"title":"Hybrid Perovskite Solar Cells: A Disruptive Technology for Hydrogen Production through Photocatalytic Water Splitting.","authors":"S Akin Olaleru, Nithyadharseni Palaniyandy, Bhekie B Mamba, Bonex W Mwakikunga","doi":"10.1002/open.202500181","DOIUrl":"https://doi.org/10.1002/open.202500181","url":null,"abstract":"<p><p>Perovskite solar cells (PSCs) have recently emerged as a viable technology for photovoltaic applications, offering high efficiency and cost-effective manufacturing. Beyond generating electricity, PSCs can also facilitate hydrogen production through water splitting. This article provides a comprehensive review of current research on PSCs for hydrogen production, highlighting their potential as a transformative technology in this field. The challenges and opportunities associated with using PSCs for hydrogen production are discussed, including their stability and efficiency under various operating conditions. The impact of device design, system integration, and materials engineering on PSC performance for hydrogen production is also examined. Furthermore, an overview of hydrogen demand is provided and how PSCs can be integrated with other renewable energy sources to contribute to a sustainable energy future through green hydrogen production is explored. The analysis suggests that hydrogen production using PSCs has the potential to become a groundbreaking technology, significantly impacting the energy sector and the transition to low-carbon energy.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500181"},"PeriodicalIF":2.5,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144136025","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":"Nontargeted Metabolomic Profiling of a Single Paeonia Lactiflora Plant and its Quality Marker Identification.","authors":"Lanmeng Yan, Yanan Wu, Rui Guan, Chuanshan Jin, Rongchun Han, Jinmei Ou, Xiaohui Tong","doi":"10.1002/open.202400520","DOIUrl":"https://doi.org/10.1002/open.202400520","url":null,"abstract":"<p><p>Paeonia lactiflora Pall., a widely used medicinal plant in traditional Chinese medicine (TCM), has diverse therapeutic properties, though its chemical composition remains inadequately explored. This study employs nontargeted metabolomics to provide a comprehensive chemical profile of a single P. lactiflora plant using Orbitrap high-resolution, accurate-mass (HRAM) mass spectrometry. A total of 214 compounds are identified, including 45 previously unreported metabolites. These compounds, spanning classes such as glycosides, flavonoids, organic acids, and triterpenes, are detected across its seven parts (leaf, petiole, stem, flower, root, xylem in root, cortex in root), with the root showing the highest chemical diversity. Six root samples collected from traditional habitats are also analyzed to propose their quality markers. From 37 compounds common to all root samples, 8 compounds are proposed as potential quality markers based on their widespread presence and abundance across traditional growing regions. This research not only enriches the chemical understanding of P. lactiflora but also sets the foundation for future studies on its medicinal potential and quality control in pharmaceutical applications.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2400520"},"PeriodicalIF":2.5,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144136027","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":"Au(III) Extraction from Water Samples Using Triazole-Coated Novel Magnetic Adsorbents and Analysis by Inductively Coupled Plasma-Optical Emission Spectroscopy.","authors":"Celal Caner, Miraç Salpat, Salma Tabassum, Nuray Canikoglu, Huseyin Altundag","doi":"10.1002/open.202500161","DOIUrl":"https://doi.org/10.1002/open.202500161","url":null,"abstract":"<p><p>In the present investigation, the synthesis, characterization, and application of triazole-coated novel magnetic nanoparticles (MNPs) are systematically carried out, focusing on their efficacy as adsorbents for extracting Au(III) ions. The synthesis process involves the sequential coating of magnetite nanoparticles with tetraethylorthosilicate (SiO<sub>2</sub>), 3-chloropropyltriethoxysilane (CPTES), and 3,5-diamino-1,2,4-triazole (DAT). The MNPs synthesized at each stage are analyzed using high-resolution transmission electron microscopy (HRTEM), field emission scanning electron microscopy (FESEM), energy-dispersive X-ray analysis (EDX), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), and thermogravimetric and differential thermal analysis (DT/TGA) to confirm the successful coating of the desired adsorbent. Fe<sub>3</sub>O<sub>4</sub>@SiO<sub>2</sub>@CPTES@DAT MNPs selectively recover Au(III) ions under optimum conditions of pH = 2, 10 mg adsorbent amount, and 20 min contact time, and quantification of Au(III) ions is carried out by inductively coupled plasma-optical emission spectroscopy (ICP-OES). The method's suitability to adsorption isotherm and kinetic models is examined and found to be more compatible with the Freundlich isotherm and pseudo-second-order kinetic model. Relative standard deviation, limit of detection, and limit of quantification are calculated as 2.51%, 0.019, and 0.065 μg L<sup>-1</sup>, respectively, as analytical performance parameters. Several water samples are tested for Au(III) concentration using the optimized method.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500161"},"PeriodicalIF":2.5,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144136023","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}