ChemistryOpen最新文献

{"title":"Assembly of Detergents with Highly Branched Dicarboxylate Clamps for Membrane Protein Studies.","authors":"Kim-Anh Nguyen, Pierre Falson, Ahcène Boumendjel","doi":"10.1002/open.202500122","DOIUrl":"https://doi.org/10.1002/open.202500122","url":null,"abstract":"<p><p>The structural knowledge of membrane proteins (MPs) is crucial for the structure-based drug design. The stabilization of MPs during extraction processes is essential for structural and functional maintenance. In this regard, detergents are used to achieve extractions of MPs in their functional form. Based on previous work showing the importance of adjacent dicarboxylate groups for the detergency properties, the synthesis of a new generation of detergents bearing more dicarboxylate groups is reported. The molecular structure of the new generation is characterized by the presence of four chemical entities: a DOTA or NOTA scaffold, three or four pairs of carboxylates, a fatty acid, and PEG chains. The preliminary biochemical evaluation reveals promising features of this novel generation of surfactants for the aqueous extraction of MPs.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500122"},"PeriodicalIF":2.5,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144062538","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":"Revisiting Fused-Pyrrolo-1,10-Phenanthroline Derivatives: Novel Transformations and Stability Studies","authors":"Cristina M. Al Matarneh,&nbsp;Alina Nicolescu,&nbsp;Sergiu Shova,&nbsp;Mircea Apostu,&nbsp;Razvan Puf,&nbsp;Francesca Mocci,&nbsp;Aatto Laaksonen,&nbsp;Ionel I. Mangalagiu,&nbsp;Ramona Danac","doi":"10.1002/open.202400365","DOIUrl":"10.1002/open.202400365","url":null,"abstract":"<p>In this study, new pyrrolo[3',4':3,4]pyrrolo[1,2-<i>a</i>][1,10]phenanthroline derivatives are developed and their stabilities and transformation pathways are investigated. The synthetic approach toward these novel derivatives include a pivotal [3 + 2] cycloaddition of in situ generated ylides, followed by cycloadducts oxidation and other unexpected transformations. The structures of the intermediate and final compounds are proposed based on information obtained from several spectral techniques. Stability study reveal that electron-donating groups in the para position of the phenyl ring promote easier oxidation, whereas electron-withdrawing substituents enhance the stability of the compounds. The acid–base titration of α-monosubstituted 1,10-phenanthroline <b>6a</b> results in a reversible color change, which is preliminarily explored through spectral methods.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"14 7","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.202400365","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143983225","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":"Synthesis, Structure, and Properties of Polyhydroxybutyrate Derived from Azotobacter Vinelandii N-15.","authors":"Yang Liu, Dongwei Li, Xianghai Ran, Wei Nie, Ihor Semeniuk, Nataliia Koretska","doi":"10.1002/open.202500150","DOIUrl":"https://doi.org/10.1002/open.202500150","url":null,"abstract":"<p><p>Biodegradable polymers are of great interest in addressing the current pollution problem caused by synthetic petroleum-based polymers. It is well known that various microorganisms synthesize and store high-molecular-weight polyhydroxyalkanoates in their cytoplasm as water-insoluble inclusions. In this study, the bacterium Azotobacter vinelandii N-15 strain is used for bioplastic production. The optimal polyhydroxybutyrate (PHB) yield (62% of biomass, 23.6 g L^-1 dry cells) is achieved by cultivating the bacteria in Burke's medium with molasses as a carbon source (5 wt.%) at 30 °C, 220 rpm, for 50 h. The resulting polymer was characterized using thin-layer chromatography, UV-Vis, fourier transform infrared, nuclear magnetic resonance spectroscopy, gas chromatography, and X-ray diffraction. The results confirmed that the polymer is PHB with a purity of 98.9%, a molecular weight of 1.2 MDa, a crystallinity of 73%, a melting point of 179 °C, a decomposition temperature of 275 °C, a density of 1.22 g cm^- ³, a melt flow index of 10 g 10 min^-1, a Shore hardness of 82, a tensile strength of 30 MPa, and a relative elongation at break of 4.5%. Thus, a bioplastic with properties suitable for practical applications is successfully obtained using molasses-a byproduct of sugar production.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500150"},"PeriodicalIF":2.5,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143955300","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":"Construction of a Fluorescence-Based Logic Gate Seeing the Effect of Perchlorate Ions on Hemicyanine Dye-β-Cyclodextrin Complexes to Certify Safe Drinking Water.","authors":"Anusha C M, Shalini Dyagala, Sairathna Choppella, Mahesh Kumar Ravva, Subit Kumar Saha","doi":"10.1002/open.202500152","DOIUrl":"https://doi.org/10.1002/open.202500152","url":null,"abstract":"<p><p>Perchlorate ions (ClO₄ ^-) are prevalent contaminants in the surface, and drinking water that disrupt thyroid function by competitively inhibiting the sodium-iodide symporter (NIS), posing significant health risks. Here, fluorescence-based logic gates have been constructed by leveraging the binding interactions between a hemicyanine dye, 4-[4-(dimethylamino)-styryl]-1-docosylpyridinium bromide (DASPC22) and β-cyclodextrin (β-CD) that could be useful to know whether ClO₄ ^- ions in water are within the toxicity range or not. In aqueous media, DASPC22 forms nonfluorescent H-aggregates, but fluorescence is enhanced upon forming host-guest inclusion complexes with β-CD. At low ClO₄ ^- ions concentrations, fluorescence intensity further increases due to enhanced complex stability through hydrogen bonding. ONIOM-based quantum chemical calculations have supported this phenomenon. The enhancement of fluorescence intensity of DASPC22 in the presence of β-CD and a low concentration of ClO₄ ^- ions leads to the construction of a YES logic gate that would enable one to quantify ClO₄ ^- ions' toxicity range in water. Dual-input-single-output AND and INHIBIT logic gates with low and high concentrations of ClO₄ ^- ions, respectively, have also been constructed. The present system could be useful in addressing safety concerns related to perchlorate contamination of water.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500152"},"PeriodicalIF":2.5,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143984893","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":"Exploring the Synergistic Effects of Chlorine Coordination in Iron Phthalocyanine for Efficient Oxygen Reduction Catalysis.","authors":"Tesfaye Alamirew Dessie, Lemlem Seyoum Seifu, Woldesenbet Bafe Dilebo","doi":"10.1002/open.202500033","DOIUrl":"https://doi.org/10.1002/open.202500033","url":null,"abstract":"<p><p>Chlorine-coordinated iron phthalocyanine is designed and synthesized for 4 e^- pathway oxygen reduction reaction (ORR). Iron phthalocyanine (FePc) is a promising nonprecious catalyst for the ORR. Unfortunately, FePc with plane-symmetric Fe-N4 site usually exhibits an unsatisfactory ORR activity due to its poor O₂ adsorption and activation. In this work, Chlorine-coordinated iron phthalocyanine (Cl-FePc) has been studied as a catalyst for the electrochemical ORR. Coordination of iron phthalocyanine with chlorine introduces additional active sites for ORR, improving its catalytic activity. The chlorine atoms enhance the electron transfer process and facilitate the ORR validated by in situ Raman spectroscopy. The obtained catalyst exhibits fast kinetics for O₂ adsorption and activation with an ultralow Tafel slope of 30 mV dec^-1 and a remarkable half-wave potential of 0.80 V. This work offers a new strategy to regulate catalytic sites for better performance ORR.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500033"},"PeriodicalIF":2.5,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143970037","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":"Unraveling the Crystal Structures of Picolinic Acid Derivatives: Synthesis, Packing, Interactions, and Conformational Flexibility.","authors":"Sara Camorali, Lorenzo Tei, Marco Milanesio, Mattia Lopresti","doi":"10.1002/open.202500197","DOIUrl":"https://doi.org/10.1002/open.202500197","url":null,"abstract":"<p><p>Picolinic acid and its derivatives are widely used as pendant arms in ligands for metal ion complexation, with possible biomedical applications, when exploited in the preparation of magnetic resonance imaging contrast agents and radioisotope labeling for α- and β-therapy. Its structural and electronic characteristics make picolinic acid versatile and able to form stable complexes with various metal ions. The present study reports the synthesis of four picolinic acid derivatives useful for both coordination and bioconjugation, featuring a benzyl-protected hydroxy group removable via palladium-catalyzed hydrogenolysis. Chromatography and magnetic resonance assessed the purity, identity, and structural features of the synthesized compounds, ensuring their suitability for the said applications. Single-crystal X-ray diffraction was exploited for structure solution of three of them, revealing that the introduction of specific substituents induces changes in both the molecular structure and the crystal packing, driven by a balance between π-stacking and weak nonbonding contacts. Small changes in the pyridine substituents can induce conformational changes in the opposite benzyl ring orientation, spanning from a planar to a perpendicular orientation. The structural analysis, including Hirshfeld surfaces and energetic frameworks calculations, clarified intermolecular interactions contributing to a better understanding of the solid state behavior of the title compounds.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500197"},"PeriodicalIF":2.5,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143955806","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":"Eco-Friendly Biomass-Based Carbon Dots, Carbon Nanotubes, Graphene, and Their Derivatives for Enhanced Oil Recovery: A New Horizon for Petroleum Industry","authors":"Ruhul Amin Foisal,&nbsp;Prof. Dr. Abu Bin Imran,&nbsp;Prof. Dr. Al-Nakib Chowdhury","doi":"10.1002/open.202400353","DOIUrl":"10.1002/open.202400353","url":null,"abstract":"<p>Oil extraction from reservoirs has never been easy, particularly when easily accessible oil sources run out. Enhanced oil recovery (EOR) is a dynamic area of petroleum engineering that seeks to maximize the quantity of crude oil that can be retrieved from an oil field. Researchers and oil producers have emphasized assessing tertiary-stage recovery approaches, such as chemical EOR (CEOR), due to the problems posed by the diverse carbonate rocks. Polymers and surfactants used in CEOR procedures have the potential to harm formation and contaminate the environment. The environmentally beneficial “green enhanced oil recovery” (GEOR) technique includes infusing green fluids to raise tertiary oil output and boost macroscopic and microscopic sweep efficiency, ensuring sustainable practices while minimizing environmental concerns. Utilizing eco-friendly carbon nanomaterials such as biomass-based carbon dots (CDs), carbon nanotubes (CNTs), graphene, and their derivatives for EOR and reservoir monitoring applications represents a promising frontier in the petroleum industry. These particles are pricey and do not extend to GEOR but have been successfully tested in EOR. This innovative approach capitalizes on the unique properties of these nanomaterials to improve the efficiency and sustainability of oil extraction processes. This review aims to explore biomass-derived carbon nanoparticles and investigate their possible functions in GEOR. Furthermore, the use of carbon particles in the GEOR approach is still poorly understood; thus, there needs to be a lot of credentials. The effectiveness, sustainability, and environmental responsibility of petroleum production operations can be enhanced by incorporating carbon nanomaterials from biomass into enhanced oil recovery systems. An environmentally friendly and more resilient energy future may be possible if research and development in this area are allowed to continue. This might completely change how oil resources are found and used.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"14 7","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.202400353","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143987216","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":"Penta- and Hexacoordinated Copper(II) Complexes with Azido and 4-amino-3,5-di-2-pyridyl-4H-1,2,4-triazole Ligands with Field-Induced Slow Magnetic Relaxation.","authors":"Svitlana Vitushkina, Ivan Potočňák, Oleksandr Bukrynov, Lucia Váhovská, Mariia Holub, Erik Čižmár","doi":"10.1002/open.202500109","DOIUrl":"https://doi.org/10.1002/open.202500109","url":null,"abstract":"<p><p>Two new Cu(II) complexes with abpt (4-amino-3,5-di-2-pyridyl-4H-1,2,4-triazole) and azido ligands, [Cu(abpt)₂(N₃)]NO₃ (1) and [Cu(abpt)₂(N₃)₂]⋅2H₂O (2), have been prepared and characterized by crystal structure analysis, spectral and magnetic measurements. The presence of neutral abpt, as well as azido ligands was proved by IR spectroscopy and the composition of the complexes confirmed an elemental analysis. Monocrystal X-ray structure analysis revealed that 1 is an ionic pentacoordinated Cu(II) complex, exhibiting a distorted tetragonal pyramidal geometry of the coordination polyhedron, while 2 is a neutral molecular complex with a distorted octahedral environment of the Cu(II) atom. The structures are stabilized by π-π stacking interactions between the aromatic rings of abpt, as well as various intra- and intermolecular hydrogen bonds involving nitrate ions and molecules of solvated water in 1 and 2, respectively. A field-induced slow magnetic relaxation was observed at low temperatures in 1, described by the direct and Raman process involving low-energy intramolecular vibrational modes, which were predicted by the DFT calculations.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e202500109"},"PeriodicalIF":2.5,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143980630","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":"Evaluation of the Antifungal Properties of Azomethine-Pyrazole Derivatives from a Structural Perspective.","authors":"María Isabel Murillo, Andrés Camilo Restrepo-Acevedo, Cristian Rocha-Roa, Susana Zacchino, Laura Svetaz, Simón Hernández-Ortega, Rodrigo Abonia, Ronan Le Lagadec, Fernando Cuenú-Cabezas","doi":"10.1002/open.202500132","DOIUrl":"https://doi.org/10.1002/open.202500132","url":null,"abstract":"<p><p>About 95 % of candidiasis infections worldwide are attributed to five Candida fungi species, with C. albicans being the most prevalent and severe. Due to resistance phenomena, the last decade has seen a significant challenge for candidiasis treatment with antifungal drugs, which has led to an urgent need for new antifungal agents. In this article, we report the synthesis of a series of azomethine-pyrazole derivatives bearing a para-substituted azo-phenyl ring. These compounds were evaluated as antifungal agents against Candida species and Cryptococcus neoformans strains. Compound ClAzoNH, substituted by chloride, displayed the highest toxicity on Candida albicans, with an MIC₅₀ value of 2.08 μg/mL, while methoxy-substituted MeOAzoNH showed moderate inhibitory activity. The unsubstituted AzoNH compound exhibited the highest activity towards Candida tropicalis, Candida glabrata, Candida parapsilosis, and Candida krusei strains. In the case of C. albicans, the CaCYP51 protein appears to be the most probable biological target, while for C. neoformans, interactions with the CnFTase protein explained the in vitro results.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e202500132"},"PeriodicalIF":2.5,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143981199","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":"Visible Light-Induced Decarboxylative Radical Addition of Heteroaromatic Carboxylic Acids to Alkenes at Room Temperature in Two-Molecule Photoredox System.","authors":"Daisuke Suzuki, Ryoga Hashimoto, Toshiki Furutani, Mugen Yamawaki, Hirotsugu Suzuki, Yasuharu Yoshimi","doi":"10.1002/open.202500232","DOIUrl":"https://doi.org/10.1002/open.202500232","url":null,"abstract":"<p><p>The photoinduced decarboxylative radical addition of aryl carboxylic acids, including heteroaromatic carboxylic acids, to electron-deficient alkenes is achieved in a two-molecule photoredox system using a combination of biphenyl (BP) and 9,10-dicyanoanthracene (DCA) without heating. The low efficiency of the back-electron transfer to aryl carboxyl radicals leads to decarboxylation at room temperature. Various heteroaromatic carboxylic acids, including picolinic acid, nicotinic acid, quinoline carboxylic acid, and pyridazine carboxylic acid, are employed as substrates in the photoreaction. Prolonged irradiation without activation by a base successfully leads to decarboxylation by promoting the deprotonation of carboxylic acids by BP^•+.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500232"},"PeriodicalIF":2.5,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143978238","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}