Molecules最新文献

{"title":"Novel Fe(II)-Based Supramolecular Film Prepared by Interfacial Self-Assembly of an Asymmetric Polypyridine Ligand and Its Electrochromic Performance.","authors":"Xiya Chen, Xiaomeng Sun, Tingting Dai, Hongwei Wang, Qian Zhao, Chunxia Yang, Xianchao Du, Xiaojing Xing, Xinfeng Cheng, Dongfang Qiu","doi":"10.3390/molecules30061376","DOIUrl":"10.3390/molecules30061376","url":null,"abstract":"<p><p>An asymmetric two-arm polypyridine ligand 4'-{4-[4-(2,2'-dipyridyl)phenyl]}-2,2':6',2'-terpyridine (<b>TPY-Ph-BPY</b>) with double coordination units was synthesized using the one-step Suzuki reaction. The metallic supramolecular film was subsequently obtained by the Fe²⁺-induced self-assembly method at the CHCl₃-H₂O interface, which displayed a distinct flat and continuous morphology. The supramolecular film-coated ITO electrode demonstrated a reversible electrochemical redox behavior with pronounced color changes between purple and light green. Its solid-state electrochromic device had an optical contrast (Δ<i>T</i>%) of 26.2% at λ_max = 573 nm with balanced coloring (<i>t</i>_c = 2.4 s) and bleaching (<i>t</i>_b = 2.6 s) times and a high current efficiency of 507.8 cm²/C. Moreover, good cycling stability with a long-term reversible color change was observed beyond 900 cycles. These results suggested the promising potential of the <b>TPY-Ph-BPY-Fe(II)</b> supramolecular film for electrochromic applications.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 6","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11944750/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143720821","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Visible-Light Photocatalytic Activity of a ZnO-Loaded Isoreticular Metal-Organic Framework.","authors":"Ana Y Rojas-Forero, Laura Y Hernández-Benítez, María L Ospina-Castro, Nataly J Galán-Freyle, John R Castro-Suarez, Maximiliano Méndez-López, Samuel P Hernández-Rivera, José A Centeno-Ortiz, Sandra P Romero-Nieto, Leonardo C Pacheco-Londoño","doi":"10.3390/molecules30061375","DOIUrl":"10.3390/molecules30061375","url":null,"abstract":"<p><p>A hybrid material composed of IRMOF-3 and ZnO (IRMOF-3/ZnO) was synthesized to enhance photocatalytic methylene blue (MB) degradation under visible-light irradiation. Scanning electron microscopy, Fourier-transform infrared spectroscopy, X-ray diffraction, and diffuse-reflectance UV-Vis analyses confirmed the successful integration of ZnO into the IRMOF-3 framework. Compared with unmodified IRMOF-3, the hybrid demonstrated superior MB decomposition, as evidenced by faster reaction rate constants and shorter half-lives. Monitoring the MB absorbance at 670 nm (λ_max) revealed more pronounced colorant removal when IRMOF-3/ZnO was exposed to a visible-light source. Diffuse-reflectance UV-Vis spectroscopy showed that IRMOF-3 has a band gap of 2.7 eV, whereas IRMOF-3/ZnO exhibits a slightly higher band gap of 2.8 eV. This modest shift, coupled with the strong interaction between the ZnO semiconductor and the MOF's amine functionalities, enabled two distinct energy-transfer pathways: intermolecular transfer from IRMOF-3 linkers (acting as visible-light antennas) to ZnO, and intramolecular transfer from Zn to IRMOF-3. Together, these pathways generated abundant free radicals for efficient dye degradation. Despite the necessity for careful synthesis protocols and control of operating conditions to preserve the MOF structure and optimize ZnO loading, the IRMOF-3/ZnO hybrid shows promise as a robust, cost-effective photocatalyst for water-pollutant remediation, taking advantage of the more abundant visible region of solar light.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 6","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11944758/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143720733","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Single-Port Fluorescence Immunoassay for Concurrent Quantification of Live and Dead Bacteria: A Strategy Based on Extracellular Nucleases and DNase I.","authors":"Yuhan Wang, Han Dong, Hang Yu, Shaofeng Yuan, Hideya Kawasaki, Yahui Guo, Weirong Yao","doi":"10.3390/molecules30061374","DOIUrl":"10.3390/molecules30061374","url":null,"abstract":"<p><p>Bacteria are the primary culprits of global foodborne diseases, making bacterial detection one of the most critical aspects of food safety. The quantification of viable and dead bacteria is typically achieved through distinct methodologies, such as culture-based methods and molecular biological techniques. These approaches often have non-overlapping requirements in terms of sample pre-treatment and detection equipment. However, in this presented work, bacterial extracellular nucleases and DNase I were utilized to achieve the simultaneous quantification of both live and dead bacteria in a single well of a microplate. The detection limits of the method for live and dead bacteria are estimated to be 7.13 × 10⁵ CFU/mL and 3.54 × 10⁵ CFU/mL, respectively. In the application of detecting bacteria in pickled pork stewed bamboo shoot soup, the detection limit for live bacteria can be reduced to as low as 10² CFU/mL within 24 h after enrichment cultivation.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 6","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11944870/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143720867","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Editorial: Special Issue \"Liquid Crystals II\".","authors":"Viorel Cîrcu, Doina Manaila-Maximean, Valery A Loiko","doi":"10.3390/molecules30061373","DOIUrl":"10.3390/molecules30061373","url":null,"abstract":"<p><p>The Special Issues of the Multidisciplinary Digital Publishing Institute (MDPI) are well-known and highly appreciated in the scientific community [...].</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 6","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11944712/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143720668","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"<i>Scaptotrigona mexicana</i> Propolis from Totonacapan Region: Chemical Composition, Antioxidant and Antibacterial Activities.","authors":"Blanca E Rivero-Cruz, Maria Ema Rojas-Brandao, Adriana Correa-Benítez, Ingeborg Becker, Aurora Xolalpa-Aroche, José Delgado-Dominguez, J Fausto Rivero-Cruz","doi":"10.3390/molecules30061370","DOIUrl":"10.3390/molecules30061370","url":null,"abstract":"<p><p>The propolis produced by stingless bees is a complex mixture of natural sticky components mixed with soil or clay. Global research on propolis has focused on studying the biological and pharmacological properties and chemical composition of stingless bee propolis from Brazil, Indonesia, and other regions. However, studies of stingless bee propolis produced in Mexico are scarce. This study aimed to determine the chemical composition of the geopropolis of <i>Scaptotrigona mexicana</i> collected in the Totonacapan region and to evaluate its antioxidant and antibacterial activities. The phenolic contents of the ethanolic extract of the collected propolis ranged from 2.45 ± 0.03 mg GAE/g to 3.48 ± 0.56 mg GAE/g of dry extract. The total flavonoid content ranged from 0.69 ± 0.03 mg QE/g to 0.84 ± 0.009 mg QE/g of dry extract. The antioxidant activity of the ethanolic extracts was assessed via DPPH, ABTS, and FRAP assays. The minimum inhibitory concentration values exhibited by the ethanolic extract (>512 g/mL) for Gram-negative bacteria (<i>Pseudomonas aerugunosa</i> and <i>Phorphyromonas gingivalis</i>) were higher than those of Gram-positive bacteria. The stingless bee propolis extract showed the highest antibacterial activity against <i>Streptococcus mutans</i> (256 g/mL). Five known compounds, taraxeryl acetate (<b>1</b>), lupeol (<b>3</b>), cicloart-23-en-3β,25-diol (<b>5</b>), mangiferoic acid (<b>6</b>), and 5-(11'Z-heptadecenyl)-resorcinol (<b>7</b>), and two irresoluble mixtures of 3-<i>O</i>-acetyl-α-(2a) and 3-<i>O</i>-acetyl-β-amyrins (<b>2b</b>), and α- (<b>4a</b>) and -amyrins (<b>4b</b>), were identified by nuclear magnetic resonance spectroscopy and mass spectrometry. Additionally, 39 volatile compounds were identified via headspace-solid phase microextraction using the hyphenated gas chromatography coupled to mass spectrometry time-of-flight. The main volatile compounds detected include <i>trans</i>-α-bergamotene (8.15%), hexanal (7.17%), 2-heptanone (7.60%), and α-copaene (7.09%).</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 6","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11944469/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143720671","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"An Alternative to Biliverdin, Mesobiliverdin IXα and Mesobiliverdin-Enriched Microalgae: A Review on the Production and Applications of Mesobiliverdin-Related Products.","authors":"Naveena Poudyal, Jon Y Takemoto, Yuan-Yu Lin, Cheng-Wei T Chang","doi":"10.3390/molecules30061379","DOIUrl":"10.3390/molecules30061379","url":null,"abstract":"<p><p>Despite attracting interest for decades due to its anti-inflammatory and antioxidant capabilities, the use of biliverdin IXα (BV) in medicine and agriculture is hampered by uncertain purity and limited availability. A significant amount of effort has been devoted to the production and application of BV, but with limited success. Mesobiliverdin IXα (MBV), a natural BV analog derived from microalgae, offers a path to overcome the limitations of BV. MBV production is scalable, and it can be obtained at high purity. MBV and BV share important structural features (e.g., bridging propionate groups) and both are substrates of biliverdin reductase A (BVRA), and thus exert the same mechanisms and pathways for anti-inflammatory action. To enable the use of MBV in industry, especially in agriculture, a cost-effective product, mesobiliverdin-enriched microalgae (MEM), was developed. In this review, we focus on recent developments and investigations of MBV and MEM, and compare their effectiveness with BV and Spirulina. This review article highlights cost-effective and scalable production of MEM, the therapeutic potential of MBV in cytoprotection and anti-inflammation, and MEM as an animal feed additive for improved gut health and amelioration of osteoporosis. More studies are ongoing to expand the potential applications of both MBV and MEM from fundamental research to industrial and agricultural practices.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 6","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11945237/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143720718","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural, Electronic, and Nonlinear Optical Characteristics of Europium-Doped Germanium Anion Nanocluster EuGe<i>_n</i>^- (<i>n</i> = 7-20): A Theoretical Investigation.","authors":"Chenliang Hao, Xueyan Dong, Chunli Li, Caixia Dong, Zhaofeng Yang, Jucai Yang","doi":"10.3390/molecules30061377","DOIUrl":"10.3390/molecules30061377","url":null,"abstract":"<p><p>Doping rare-earth metals into semiconductor germanium clusters can significantly enhance the stability of these clusters while introducing novel and noteworthy optical properties. Herein, a series of EuGe<i>_n</i>^- (<i>n</i> = 7-20) clusters and their structural and nonlinear optical properties are investigated via the ABCluster global search technique combined with the double-hybrid density functional theory mPW2PLYP. The structure growth pattern can be divided into two stages: an adsorption structure and a linked structure (when <i>n</i> = 7-10 and <i>n</i> = 11-20, respectively). In addition to simulating the photoelectron spectra of the clusters, their various properties, including their (hyper)polarizability, magnetism, charge transfer, relative stability, and energy gap, are identified. According to our examination, the EuGe₁₃^- cluster exhibits a significant nonlinear optical response of the <i>β</i>_tot value of 7.47 × 10⁵ a.u., and is thus considered a promising candidate for outstanding nonlinear optical semiconductor nanomaterials.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 6","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11946336/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143720873","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Chemical Characterization and Sensory Evaluation of Scottish Malt Spirit Aged in Sherry Casks^®: Comparison Between Static and Dynamic Aging Systems.","authors":"Daniel Butrón-Benítez, Manuel J Valcárcel-Muñoz, M Valme García-Moreno, M Carmen Rodríguez-Dodero, Dominico A Guillén-Sánchez","doi":"10.3390/molecules30061378","DOIUrl":"10.3390/molecules30061378","url":null,"abstract":"<p><p>Aging spirits in wooden casks is a traditional and mandatory process for the production of certain products, such as whisky. The physicochemical and sensory changes that occur during aging are shaped by the characteristics of the barrels and the aging method used. In this paper, we examined the behavior of the same malt spirit when aged using two different Sherry Casks^® methods. The first one was static aging, with the distillate remaining still in the cask, and the second one was a dynamic system, characterized by the regular racking of the spirit between casks at different aging stages (<i>Criaderas and Solera</i>). For 36 months, the aging spirits were sampled and analyzed to determine any changes in acidity, volatile, and phenolic compound content that might indicate changes in their chemical profile. The spirits were also subjected to sensory evaluations. The analysis revealed a significant evolution of the distillate in either system, although with different chemical profiles. Multiple Linear Regression Models (MLR and PLS) were successfully used to estimate the age of the distillates at a high level of confidence. Although, after the first racking operation, the distillates in the dynamic system had an average age greater than the theoretical one, these differences tended to fade away as the system gradually stabilized.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 6","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11944592/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143720308","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Volatile Compositional Profile, Antioxidant Properties, and Molecular Docking of Ethanolic Extracts from <i>Philodendron heleniae</i>.","authors":"Melanie Ochoa-Ocampo, Nina Espinosa de Los Monteros-Silva, Jefferson V Pastuña-Fasso, Juan Diego Sacoto, María Cristina Peñuela-Mora, Gerardo Casanola-Martin, José R Almeida, Karel Diéguez-Santana, Noroska G S Mogollón","doi":"10.3390/molecules30061366","DOIUrl":"10.3390/molecules30061366","url":null,"abstract":"<p><p>Antioxidants are essential compounds with diverse applications, and medicinal plants are a natural source of these biomolecules. <i>Philodendron heleniae</i>, a species native to the Ecuadorian Amazon, belongs to a genus renowned for its traditional therapeutic uses. Extracts from the stems and roots of several <i>Philodendron</i> species have been widely used to treat stress, bladder disorders, and snakebite wounds, underscoring their medicinal potential. This study investigates the volatile composition, antioxidant properties, and molecular docking of ethanolic extracts from <i>P. heleniae</i>, aiming to expand its applications. Phytochemical analysis revealed a rich profile of tannins, phenolic compounds, flavonoids, and terpenoids. Antioxidant assays (ABTS and DPPH) demonstrated the extract's strong free radical scavenging capacity, comparable to the standard Trolox. GC-MS analysis identified 48 volatile and semi-volatile metabolites, predominantly phenolic compounds, terpenoids, and lipid-like molecules. Fractionation of the crude ethanolic extract into aqueous and ethanolic fractions simplifies the downstream analytical steps and facilitates the identification and the evaluation of the higher abundance of antioxidant-related metabolites. Molecular docking supported these findings, highlighting strong binding affinities of stigmasterol and desmosterol to catalase, an enzyme critical for reducing oxidative stress. These results position <i>P. heleniae</i> as a promising source of natural antioxidants with potential pharmaceutical applications, while emphasizing the importance of conserving Ecuador's biodiversity and its bioactive resources.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 6","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11946216/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143720801","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Engineering CuZnOAl₂O₃ Catalyst for Enhancing CO₂ Hydrogenation to Methanol.","authors":"Peixiang Shi, Jiahao Han, Yuhao Tian, Jingjing Wang, Yongkang Lv, Yanchun Li, Xinghua Zhang, Congming Li","doi":"10.3390/molecules30061350","DOIUrl":"10.3390/molecules30061350","url":null,"abstract":"<p><p>The CuZnOAl₂O₃ catalyst shows excellent activity and selectivity in the reaction of CO₂ hydrogenation to methanol as a consequence of its controllable physicochemical properties, which is expected to offer an efficient route to renewable energy. In this study, CuZnOAl₂O₃ catalysts are engineered by a special pretreatment, constructing a carbonate structure on the surface of the catalyst. Compared to the unmodified catalyst, the optimized catalyst (CZA-H-C1) not only exhibits an improved methanol selectivity of 62.5% (250 °C and 3 MPa) but also retains a minimal degree of deactivation of 9.57% over a 100 h period. By characterizing the catalysts with XRD, TEM, XPS and in situ DRIFTS spectroscopy, it was found that the surface carbonate species on Cu-based catalysts could significantly enhance the reaction and shield the active sites. This study offers theoretical insights and practical strategies for the rational design and optimization of high-performance heterogeneous catalysts.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 6","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11946585/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143720700","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}