Molecules最新文献

{"title":"Comparison of Ultrasound-Microwave-Assisted and Hot Reflux Extractions of Polysaccharides from <i>Alpinia officinarum</i> Hance: Optimization, Characterization, and Antioxidant Activity.","authors":"Haibao Tang, Baogang Zhou, Mengge Sun, Yihan Wang, Ran Cheng, Tao Tan, Dongsheng Yang","doi":"10.3390/molecules30143031","DOIUrl":"https://doi.org/10.3390/molecules30143031","url":null,"abstract":"<p><p><i>Alpinia officinarum</i> Hance exhibits various bioactivities, with polysaccharides being one of its key bioactive components. However, the relationship between the structural characteristics of these polysaccharides and their bioactivities remains unclear and underexplored. In this study, to optimize the extraction process, a Response Surface Methodology-based design combined with single-factor experiments was applied to determine the optimal conditions for the ultrasonic-microwave-assisted extraction of polysaccharides from <i>A. officinarum</i>. The primary structural characteristics and antioxidant activities of two polysaccharide fractions, PAOR-1 extracted by ultrasonic-microwave-assisted extraction and PAOR-2 extracted by hot reflux extraction (HRE), were systematically compared. The optimal extraction conditions, including a liquid-solid ratio of 1:50, extraction time of 19 mins, and ultrasonic power of 410 W, yielded a maximum polysaccharide extraction rate of 18.28% ± 2.23%. The extracted polysaccharides were characterized as acidic polysaccharides with a three-dimensional structure. PAOR-1 and PAOR-2 have different monosaccharide compositions, surface morphologies, and thermal stabilities. The antioxidant activity in vitro studies suggest that PAOR-1 may have higher antioxidant activity than PAOR-2 due to its higher content of uronic acids, lower relative molecular mass, and a more closely packed spatial configuration. These findings provide a theoretical basis for the development and utilization of AOR.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 14","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144743209","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Elastocaloric Performance of Natural Rubber: The Role of Nanoclay Addition.","authors":"Marica Bianchi, Luca Fambri, Mauro Bortolotti, Alessandro Pegoretti, Andrea Dorigato","doi":"10.3390/molecules30143035","DOIUrl":"https://doi.org/10.3390/molecules30143035","url":null,"abstract":"<p><p>This work investigates the effect of nanoclay addition-specifically natural montmorillonite (MMT) and organo-modified montmorillonite (O-MMT)-on the elastocaloric performance of natural rubber (NR), a promising material for solid-state cooling due to its non-toxicity, low cost, and ability to exhibit large adiabatic temperature changes under moderate stress (~a few MPa). Despite these advantages, the cooling efficiency of NR remains lower than that of conventional vapor-compression systems. Therefore, improving the cooling capacity of NR is essential for the development of solid-state cooling technologies competitive with existing ones. To address this, two series of NR-based nanocomposites, containing 1, 3, and 5 phr nanofiller, were prepared by melt compounding and hot pressing and characterized in terms of morphology, thermal, mechanical, and elastocaloric properties. The results highlighted that the better dispersion of the organoclays within the rubber matrix promoted not only a better mechanical behavior (in terms of stiffness and strength), but also a significantly enhanced cooling performance compared to MMT nanofilled systems. Moreover, NR/O-MMT samples demonstrated up to a ~45% increase in heat extracted per refrigeration cycle compared to the unfilled NR, with a coefficient of performance (COP) up to 3, approaching the COP of conventional vapor-compression systems, typically ranging between 3 and 6. The heat extracted per refrigeration cycle of NR/O-MMT systems resulted in approx. 16 J/cm³, higher with respect to the values reported in the literature for NR-based systems (ranging between 5 and 12 J/cm³). These findings emphasize the potential of organoclays in enhancing the refrigeration potential of NR for novel state cooling applications.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 14","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144743227","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"South Tyrol (Italy) <i>Pastinaca sativa</i> L. subsp. <i>sativa</i> Essential Oil: GC-MS Composition, Antimicrobial, Anti-Biofilm, and Antioxidant Properties.","authors":"Daniela Di Girolamo, Natale Badalamenti, Giusy Castagliuolo, Vincenzo Ilardi, Mario Varcamonti, Maurizio Bruno, Anna Zanfardino","doi":"10.3390/molecules30143033","DOIUrl":"https://doi.org/10.3390/molecules30143033","url":null,"abstract":"<p><p><i>Pastinaca</i> L. is a small genus belonging to the Apiaceae family, traditionally used for both nutritional and medicinal purposes. <i>Pastinaca sativa</i> L. subsp. <i>sativa</i> is a biennial plant widely distributed in Europe and Asia, with recognized ethnopharmacological relevance. In this study, the essential oil (EO) obtained from the aerial parts of <i>P. sativa</i> subsp. <i>sativa</i>, collected in Alto Adige (Italy)-a previously unstudied accession-was analyzed by GC-MS, and the volatile profile has been compared with that of EOs previously studied in Bulgaria and Serbia. The EO was found to be rich in octyl acetate (38.7%) and octyl butanoate (26.7%), confirming that this species biosynthesizes these natural esters. The EO and its main constituents were tested to evaluate their antimicrobial properties. Furthermore, their biological potential was evaluated through antimicrobial, antibiofilm and antioxidant assays. This research work, in addition to evaluating possible chemotaxonomic differences at the geographical level of EOs of <i>Pastinaca sativa</i> subsp. <i>sativa</i>, has been extended to the determination of the biological properties of this accession never investigated before, with the aim of acquiring a broader vision of biofilm and antibacterial properties.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 14","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144743283","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Activated Biocarbons Based on <i>Salvia officinalis</i> L. Processing Residue as Adsorbents of Pollutants from Drinking Water.","authors":"Joanna Koczenasz, Piotr Nowicki, Karina Tokarska, Małgorzata Wiśniewska","doi":"10.3390/molecules30143037","DOIUrl":"https://doi.org/10.3390/molecules30143037","url":null,"abstract":"<p><p>This study presents research on the production of activated biocarbons derived from herbal waste. Sage stems were chemically activated with two activating agents of different chemical natures-H₃PO₄ and K₂CO₃-and subjected to two thermal treatment methods: conventional and microwave heating. The effect of the activating agent type and heating method on the basic physicochemical properties of the resulting activated biocarbons was investigated. These properties included surface morphology, elemental composition, ash content, pH of aqueous extracts, the content and nature of surface functional groups, points of zero charge, and isoelectric points, as well as the type of porous structure formed. In addition, the potential of the prepared carbonaceous materials as adsorbents of model organic (represented by Triton X-100 and methylene blue) and inorganic (represented by iodine) pollutants was assessed. The influence of the initial adsorbate concentration (5-150 (dye) and 10-800 mg/dm³ (surfactant)), temperature (20-40 °C), and pH (2-10) of the system on the efficiency of contaminant removal from aqueous solutions was evaluated. The adsorption kinetics were also investigated to better understand the rate and mechanism of contaminant uptake by the prepared activated biocarbons. The results showed that materials activated with orthophosphoric acid exhibited a significantly higher sorption capacity for all tested adsorbates compared to their potassium carbonate-activated counterparts. Microwave heating was found to be more effective in promoting the formation of a well-developed specific surface area (471-1151 m²/g) and porous structure (mean pore size 2.17-3.84 nm), which directly enhanced the sorption capacity of both organic and inorganic contaminants. The maximum adsorption capacities for iodine, methylene blue, and Triton X-100 reached the levels of 927.0, 298.4, and 644.3 mg/g, respectively, on the surface of the H₃PO₄-activated sample obtained by microwave heating. It was confirmed that the heating method used during the activation step plays a key role in determining the physicochemical properties and sorption efficiency of activated biocarbons.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 14","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144743088","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Integrated Characterization of <i>Phoenix dactylifera</i> L. Fruits and Their Fermented Products: Volatilome Evolution and Quality Parameters.","authors":"Eloisa Bagnulo, Gabriele Trevisan, Giulia Strocchi, Andrea Caratti, Giulia Tapparo, Giorgio Felizzato, Chiara Cordero, Erica Liberto","doi":"10.3390/molecules30143029","DOIUrl":"https://doi.org/10.3390/molecules30143029","url":null,"abstract":"<p><p>Dates (<i>Phoenix dactylifera</i> L.) are nutrient-rich fruits with health-promoting properties and broad applications in the food and beverage industries. This study analyzes the chemical properties and volatile profile of fermented date products-juice, alcoholic derivative, and vinegar-to develop a high-quality vinegar with distinct sensory traits. Using HS-SPME-GC-MS, about 50 volatile compounds were identified across six major chemical classes. Juice processing significantly increased volatile release, especially fusel alcohols and furanic aldehydes, due to thermal and mechanical disruption. Fermentation further modified the volatilome, with increased esters and acids in alcoholic and vinegar products. Vinegar was characterized by high levels of acetic acid, fatty acids, phenols, and acetoin (855 mg/L), indicating active microbial metabolism. Ethanol and acidity levels met international standards. Total phenolic content rose from juice (138 mg/L) to vinegar (181 mg/L), reflecting microbial enzymatic activity and acid-driven extraction. These results highlight the metabolic complexity, sensory richness, and functional potential of date-derived fermented products while promoting sustainable use of underutilized fruit resources.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 14","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144743253","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Bridging Between Japan-Originated Inorganic Chemistry Theories and the Latest DFT Calculations.","authors":"Takashiro Akitsu","doi":"10.3390/molecules30143010","DOIUrl":"https://doi.org/10.3390/molecules30143010","url":null,"abstract":"<p><p>There are two concepts that were discovered by Japanese researchers that appear in most inorganic chemistry textbooks: the spectrochemical series [...].</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 14","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144743112","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring the Chemical Composition and Antimicrobial Activity of Extracts from the Roots and Aboveground Parts of <i>Limonium gmelini</i>.","authors":"Dariya Kassymova, Francesco Cairone, Donatella Ambroselli, Rosa Lanzetta, Bruno Casciaro, Aizhan Zhussupova, Deborah Quaglio, Angela Casillo, Galiya E Zhusupova, Maria Michela Corsaro, Bruno Botta, Silvia Cammarone, Maria Luisa Mangoni, Cinzia Ingallina, Francesca Ghirga","doi":"10.3390/molecules30143024","DOIUrl":"https://doi.org/10.3390/molecules30143024","url":null,"abstract":"<p><p><i>Limonium gmelini</i> (<i>Willd.</i>) Kuntze, a plant widely used in traditional medicine, has garnered increasing attention for its diverse pharmacological activities, including anti-inflammatory, hepatoprotective, antioxidant, and antimicrobial effects. This study aimed to explore the chemical composition and biological activities of polysaccharides and polyphenolic compounds extracted from both the roots and aboveground parts of <i>Limonium gmelini</i>. Several methods of extraction, including ultrasound-assisted extraction (UAE), conventional maceration (CM), and supercritical fluid extraction (SFE), were employed to obtain bioactive fractions. Chemical profiling, primarily represented by monosaccharides and polyphenolic compounds, was characterized and analyzed using proton nuclear magnetic resonance spectroscopy (¹H-NMR) and gas chromatography-mass spectrometry (GC-MS) techniques. While polyphenol-rich fractions exhibited significant antibacterial activity, particularly against <i>Staphylococcus epidermidis</i>, polysaccharide-rich aqueous fractions showed minimal antibacterial activity. Among the methods, CM and UAE yielded higher polyphenol content, whereas SFE provided more selective extractions. Notably, methanolic SPE fractions derived from the roots were especially enriched in active polyphenols such as gallic acid, myricetin, and naringenin, and they exhibited the highest antibacterial activity against Staphylococcus epidermidis. In contrast, extracts from the aboveground parts showed more moderate activity and a partially different chemical profile. These findings underscore the importance of plant part selection and support the targeted use of root-derived polyphenol-enriched fractions from <i>L. gmelini</i> as promising candidates for the development of natural antibacterial agents. Further investigation is needed to isolate and validate the most active constituents for potential therapeutic applications.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 14","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144743232","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The Role of Trifluoromethyl and Trifluoromethoxy Groups in Medicinal Chemistry: Implications for Drug Design.","authors":"Manuel Novás, Maria J Matos","doi":"10.3390/molecules30143009","DOIUrl":"https://doi.org/10.3390/molecules30143009","url":null,"abstract":"<p><p>One of the key strategies in drug design involves modifying molecular scaffolds with specific chemical groups, or side chains, to enhance biological and physicochemical properties. These modifications can strengthen interactions with biological targets or improve pharmacokinetic and physicochemical characteristics, factors that are critical in transforming a compound into a viable drug candidate. In this overview, we focus on the presence of trifluoromethyl and trifluoromethoxy groups on different molecules, highlighting their relevance and impact in medicinal chemistry. The discussion and future perspectives in the field are based on a comprehensive review of current literature, with data sourced mainly from SciFinder and PubMed.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 14","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144743303","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Applications and Recent Advances in 3D Bioprinting Sustainable Scaffolding Techniques.","authors":"Xianyao Li, Jianyu Ren, Yubo Huang, Li Cheng, Zhengbiao Gu","doi":"10.3390/molecules30143027","DOIUrl":"https://doi.org/10.3390/molecules30143027","url":null,"abstract":"<p><p>In recent years, with the rapid advancement of 3D printing technology, its applications have expanded across numerous fields. Notably, the fabrication of scaffolds using 3D printing has emerged as a major research focus. Researchers are investigating the properties of various printing materials and tailoring their uses for specific applications. This article reviews the characteristics and applications of different biomaterials printed by 3D technology, such as gelatin, sodium alginate, and starch, highlighting their contributions to the expanding field of 3D-printed biomaterials. Through the comparison in this review, it can be observed that the starch scaffold not only has a lower price but also can be modified to achieve multifunctionality, better meeting the performance requirements in more fields.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 14","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144743105","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"RNA-Seq Analysis of MCF-7 Breast Cancer Cells Treated with Methyl Gallate Isolated from the Rhizomes of <i>Nymphaea Odorata</i> L. Shows Upregulation of Apoptosis, Autophagy, and Unfolded Protein Canonical Pathways.","authors":"Nishikant A Raut, Pinal N Kanabar, Mark Maienschein-Cline, Nina S Los, Zarema Arbieva, Temitope O Lawal, Shitalben Patel, Gail B Mahady","doi":"10.3390/molecules30143022","DOIUrl":"https://doi.org/10.3390/molecules30143022","url":null,"abstract":"<p><p>The effects of a methanol extract of <i>Nymphaea odorata</i> (MeNO) rhizomes, its fractions and the active compound (methyl gallate, MeG) were investigated in estrogen receptor-positive (ER+) breast cancer cell lines MCF-7 and T47-D:A18, as well as ER-negative line SKBr3. Cell viability and cytotoxicity were determined using CellTiter-Glo^® 2.0 assays at concentrations ranging from 1 to 100 μg/mL. Caspase activity and apoptosis were determined using Caspase-Glo^® 3/7, Caspase-Glo^® 8, and ApoTox-Glo™ triplex assays, as well as qPCR. Total RNA was isolated from MCF-7 cells treated with MeG. RNA-seq libraries were prepared using a Universal Plus mRNASeq kit, and sequencing was performed on a NovaSeq 6000. MeNO inhibited the growth of MCF-7 cells with an IC₅₀ of 14.1 μg/mL, as well as T47-D:A18 (IC₅₀ of 25.6 μg/mL) and SKBr3 cells (IC₅₀ of 35.5 μg/mL). Bioassay-guided fractionation of MeNO in MCF-7 cells identified the active fraction containing one compound, namely methyl gallate (MeG). MeG had an IC₅₀ of 8.6 μg/mL in MCF-7 cells. Transcriptomic analysis of MeG-treated MCF-7 cells showed differential expression of 10,634 genes, with 5643 upregulated and 4991 downregulated (FDR < 0.05). Ingenuity pathway analysis revealed the involvement of 43 canonical pathways, with the top upregulated pathways including apoptosis, autophagy, and the unfolded protein response pathways.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 14","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144743200","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}