Frontiers in ChemistryPub Date : 2025-03-21eCollection Date: 2025-01-01DOI: 10.3389/fchem.2025.1533513
Hui Zhu, Suqin Wang, Ming Sheng, Shao Bo, Yu He, Zhuang Liu, Min Li, Guangtao Zhou
{"title":"Achieving efficient red room-temperature phosphorescence in two-dimensional hybrid halide perovskites by manganese doping.","authors":"Hui Zhu, Suqin Wang, Ming Sheng, Shao Bo, Yu He, Zhuang Liu, Min Li, Guangtao Zhou","doi":"10.3389/fchem.2025.1533513","DOIUrl":"10.3389/fchem.2025.1533513","url":null,"abstract":"<p><p>Red room-temperature phosphorescence (RTP), characterized by its long emission wavelength and lifetime, has broad applications in various fields, including bioimaging, light-emitting diodes (LEDs), information encryption, and photodetectors. Two-dimensional (2D) hybrid halide perovskites are a novel class of organic-inorganic hybrid composite materials. Their diverse binary combinations offer a versatile platform for designing energy transfer pathway and introducing emerging optical phenomena, making them promising candidates for developing the next-generation of RTP materials. However, currently reported red RTP halide perovskites are scarce and often suffer from low quantum efficiency and short lifetime. Herein, we developed a series of 2D hybrid halide perovskites with efficient red RTP through doping manganese ions and found that the modified materials exhibit a significantly enhanced photoluminescence quantum yield of 66.38%, which is eight times higher than that of the original perovskite host. Moreover, the phosphorescence lifetime can be extended up to 12 ms. In-depth mechanistic investigations reveal that the exceptional luminescent performance originates from efficient energy transfer be-tween the host matrix and manganese ions. Furthermore, red-emitting LEDs have been successfully fabricated with these RTP materials as emitting layers, highlighting the promising applications of 2D hybrid halide perovskites in lighting applications.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1533513"},"PeriodicalIF":3.8,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11968679/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143794888","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Frontiers in ChemistryPub Date : 2025-03-19eCollection Date: 2025-01-01DOI: 10.3389/fchem.2025.1545984
Ali Khalili Gashtroudkhani, Mohammad Dahmardeh Ghaleno, Saeed Soltan Abadi, Maryam Pouyani
{"title":"Investigating the use of low and high-density polyethylene blends with waste material from three-layer factory tube for the third layer of shock tubes.","authors":"Ali Khalili Gashtroudkhani, Mohammad Dahmardeh Ghaleno, Saeed Soltan Abadi, Maryam Pouyani","doi":"10.3389/fchem.2025.1545984","DOIUrl":"10.3389/fchem.2025.1545984","url":null,"abstract":"<p><p>Polymeric shock tubes are now widely used in explosives systems for drilling and mining operations. Most shock tubes on the market consist of three layers of polymer, the first layer being Surlyn 8940 copolymer, the second layer Nucrel 31001 and the outer layer Borostar ME 6053 medium density polyethylene. Surlyn and Nucrel are usually sourced from DuPont, polyethylene from Charlotte Boralis. the main goal in this research is reducing the price of final shock tube and reuse the waste tube of plant (rejected shock tube) with improving the properties of product. For reaching to this goal, using polyethylene blend with available raw materials in the country and mixing them with rework from the shock tube production plant. For this purpose, different proportions of low- and high-Density polyethylene are blend using a twin-screw extruder and finally mixed with some of the factory's polymer rework. In the first phase, the low-density polyethylene LDPE 020, the high-density polyethylene HDPE HI 0500 and the filler calcium carbonate were blend in a twin-screw extruder and compounded with different percentages of 20/75/5, 30/65/5, 40/55/5 and 47/47/6 percent respectively. In the second phase, the resulting blend was mixed physically with 5, 10 and 15 percent three-layer tube rework (which was crushed with a crusher or pelletizer). The results showed that the 47/47/6 percent mixture had the best composition in terms of the production process, the properties of blend in terms of tensile strength (17/3 MPa), elongation percentage (458%) was suitable. In order to reduce the waste and cost of the product, the best processing results, product properties and costs are obtained when the above composition is mixed with crushed shock tube rework in a ratio of 90/10 (blend/rework). Tensile strength at break was 20/01 MPa and elongation at break was 478%. After evaluating the raw materials and accepting the results, the polymer blends were used on an industrial scale to produce shock tubes. The performance of the resulting shock tubes was then compared using various tests, including mechanical tests, oil penetration resistance, thermal shrinkage (in 60°C: upper 7% and in 80°C: upper 9%), burst strength, thermal aging (before aging:170 N, after aging: N<sub>5</sub>, N<sub>6</sub>, N<sub>7</sub>, N<sub>8</sub>: upper 170 N), and explosion velocity (upper 1890 m/s). The results showed that by using the polymer blend with rework, the mechanical properties of the shock tubes produced met the standard (tensile strength of more than 170 N/m<sup>2</sup> and elongation percentage of more than 220). The results of the oil penetration resistance (45-50 h), burst strength and aging tests also showed that all shock tubes manufactured with the new third layer had acceptable properties and were on the same level as shock tubes made of Boralis polyethylene.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1545984"},"PeriodicalIF":3.8,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11961897/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143771923","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Frontiers in ChemistryPub Date : 2025-03-19eCollection Date: 2025-01-01DOI: 10.3389/fchem.2025.1536858
Agata Blazewicz, Magdalena Poplawska, Beata Daniszewska, Karolina Piorunska, Michal Karynski
{"title":"Illegal and falsified medicines self-administrated in not approved post-cycle therapy after the cessation of anabolic-androgenic steroids - qualitative analysis.","authors":"Agata Blazewicz, Magdalena Poplawska, Beata Daniszewska, Karolina Piorunska, Michal Karynski","doi":"10.3389/fchem.2025.1536858","DOIUrl":"10.3389/fchem.2025.1536858","url":null,"abstract":"<p><strong>Background: </strong>The term post-cycle therapy (PCT) often appears in bodybuilding forums in the context of anabolic-androgenic steroids (AAS) cessation. To reduce the negative impact of AAS on the hormonal system, unapproved PCT is used, which consist of medications that help restore hormonal balance. The most used medicinal products are selective estrogen receptor modulators (SERMs), aromatase inhibitors (AIs), and preparations containing human chorionic gonadotropin (hCG). These substances are prohibited in sports by the World Anti-Doping Agency.</p><p><strong>Methods: </strong>Between January 2020 and the end of August 2024, 601 samples seized by the police and prosecutor's office from the illegal market, intended for use as performance-enhancing drugs (PEDs), were tested at the Polish Official Medicines Control Laboratory. Samples were analyzed using accredited methods, including liquid chromatography coupled with high-resolution hybrid mass spectrometry and X-ray powder diffraction, to estimate PCT drug prevalence among other PED samples. In total, 411 (68.4%) samples declaring to contain AAS, 63 (10.5%) declaring to contain substances used in PCT, and 127 (21.1%) other PEDs were tested.</p><p><strong>Results: </strong>Among the PCT drug samples, 33.3%, 25.4%, and 41.3% indicated the presence of SERMs (tamoxifen and clomiphene), AIs (anastrozole, letrozole, and exemestane), and other substances (hCG, cabergoline, and mesterolone), respectively according to the label. However, not all samples were consistent with the declarations. In 65.1% of the samples, the declared active pharmaceutical ingredients (APIs) were present, whereas in 34.9%, they were not. Furthermore, among the samples in which the declared API was found, 58.7% contained only the declared API, while 6.4% included an additional undeclared API. Conversely, among the samples without the declared API, 20.6% contained neither a declared API nor any API, while 14.3% had other undeclared APIs.</p><p><strong>Conclusion: </strong>We have shown that illicit drugs used in PCT may be substituted, adulterated, or contain no active ingredients. Our results indicate that in view of the high prevalence of illicit AAS use, the self-administration of unapproved PCT using illegal and falsified medicines is dangerous and can be considered a potential threat to consumer health.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1536858"},"PeriodicalIF":3.8,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11962791/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143771922","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Iron ore pellets based-Ag<sub>2</sub>O nanoparticles as efficient Bi-functional heterogeneous catalyst for the synthesis tetrahydrobenzo[α]xanthens in green media.","authors":"Ehsan Faryabi, Enayatollah Sheikhhosseini, Mahdieh Yahyazadehfar","doi":"10.3389/fchem.2025.1413080","DOIUrl":"10.3389/fchem.2025.1413080","url":null,"abstract":"<p><p>Through the use of a microwave, iron ore pellets (IOP)-based Ag<sub>2</sub>O nanoparticles were successfully synthesized. They were then characterized by means of a vibrating sample magnetometer (VSM), Brunauer-Emmett-Teller (BET) surface area analysis, energy-dispersive X-ray (EDX) analysis, powder X-ray diffraction (XRD) analysis, EDX elemental mapping, and field emission scanning electron microscopy (FESEM). High quantities of tetrahydrobenzo[a]xanthen derivatives were obtained in a brief amount of time by the newly prepared nanocomposite, known as Ag<sub>2</sub>O NP@IOP, in a one-pot, three-component reaction involving different aryl aldehydes, naphthol, and dimedone. There is no appreciable loss of catalytic activity when the catalyst is recycled and utilized several times, and it can be easily retrieved using an external magnet. The reason for functionality of designed hybrid catalyst can be related to textural properties such as desirable specific surface area and significant porosity as well as the structural nature of the Ag<sub>2</sub>O NP@IOP catalyst.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1413080"},"PeriodicalIF":3.8,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11962902/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143771924","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"DNA delivery into plant tissues using carbon dots made from citric acid and β-alanine.","authors":"Kuber Shivashakarappa, Sureshbabu Marriboina, Zeinab Yadegari, Vikas Reddy Paduri, Ritesh Sachan, Korsi Dumenyo, Ali Taheri","doi":"10.3389/fchem.2025.1542504","DOIUrl":"10.3389/fchem.2025.1542504","url":null,"abstract":"<p><p>Agriculture and food security face significant challenges due to population growth, climate change, and biotic and abiotic stresses. Enhancing crop productivity and quality through biotechnology is crucial in addressing these challenges. Genome engineering techniques, including gene cassette delivery into plant cells, aim to meet these demands. However, conventional biomolecule delivery methods have limitations such as poor efficacy, low regeneration capability, and potential cell damage. Nanoparticles, known for their success in drug delivery in animals, hold promise as DNA nanocarriers in plant sciences. This study explores the efficacy of carbon dots (CDs), synthesized rapidly and cost-effectively from citric acid monohydrate and β-alanine using a microwave-assisted method, as carriers for plasmid DNA delivery into plant tissues. The detailed characterization of carbon dots, evaluation of their binding ability with plasmid DNA, and phytotoxicity assessments were systematically conducted. The delivery and expression of plasmid DNA were successfully demonstrated in canola leaves via needleless syringe infiltration and in soybean root cells and protoplasts through passive diffusion. Additionally, the particle bombardment method facilitated the efficient delivery of plasmid DNA of varying sizes (4 kb, 11 kb, and 17 kb) into onion epidermal cells, as well as the successful delivery of plasmid DNA containing the GUS reporter gene into soybean embryos, using carbon dots as a binding agent between plasmid DNA and tungsten microcarrier. To our knowledge, this is the first study to report the use of carbon dots as a substitute for spermidine in such applications. Overall, our research presents a rapidly synthesized, cost-effective platform for efficient plasmid DNA delivery, establishing a foundation for using carbon dots as carriers for CRISPR and RNAi constructs in gene knockout and knockdown applications in plant tissues, with a comparison of their transformation efficiency against traditional delivery techniques.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1542504"},"PeriodicalIF":3.8,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11961904/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143771921","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Frontiers in ChemistryPub Date : 2025-03-19eCollection Date: 2025-01-01DOI: 10.3389/fchem.2025.1395374
Tarikul I Milon, Titli Sarkar, Yixin Chen, Jordan M Grider, Feng Chen, Jun-Yuan Ji, Seetharama D Jois, Konstantin G Kousoulas, Vijay Raghavan, Wu Xu
{"title":"Development of the TSR-based computational method to investigate spike and monoclonal antibody interactions.","authors":"Tarikul I Milon, Titli Sarkar, Yixin Chen, Jordan M Grider, Feng Chen, Jun-Yuan Ji, Seetharama D Jois, Konstantin G Kousoulas, Vijay Raghavan, Wu Xu","doi":"10.3389/fchem.2025.1395374","DOIUrl":"10.3389/fchem.2025.1395374","url":null,"abstract":"<p><strong>Introduction: </strong>Monoclonal antibody (mAb) drug treatments have proven effective in reducing COVID-19-related hospitalizations or fatalities, particularly among high-risk patients. Numerous experimental studies have explored the structures of spike proteins and their complexes with ACE2 or mAbs. These 3D structures provide crucial insights into the interactions between spike proteins and ACE2 or mAb, forming a basis for the development of diagnostic tools and therapeutics. However, the field of computational biology has faced substantial challenges due to the lack of methods for precise protein structural comparisons and accurate prediction of molecular interactions. In our previous studies, we introduced the Triangular Spatial Relationship (TSR)-based algorithm, which represents a protein's 3D structure using a vector of integers (keys). These earlier studies, however, were limited to individual proteins.</p><p><strong>Purpose: </strong>This study introduces new extensions of the TSR-based algorithm, enhancing its ability to study interactions between two molecules. We apply these extensions to gain a mechanistic understanding of spike - mAb interactions.</p><p><strong>Method: </strong>We expanded the basic TSR method in three novel ways: (1) TSR keys encompassing all atoms, (2) cross keys for interactions between two molecules, and (3) intra-residual keys for amino acids. This TSR-based representation of 3D structures offers a unique advantage by simplifying the search for similar substructures within structural datasets.</p><p><strong>Results: </strong>The study's key findings include: (i) The method effectively quantified and interpreted conformational changes and steric effects using the newly introduced TSR keys. (ii) Six clusters for CDRH3 and three clusters for CDRL3 were identified using all-atom keys. (iii) We constructed the TSR-STRSUM (TSR-STRucture SUbstitution Matrix), a matrix that represents pairwise similarities between amino acid structures, providing valuable applications in protein sequence and structure comparison. (iv) Intra-residual keys revealed two distinct Tyr clusters characterized by specific triangle geometries.</p><p><strong>Conclusion: </strong>This study presents an advanced computational approach that not only quantifies and interprets conformational changes in protein backbones, entire structures, or individual amino acids, but also facilitates the search for substructures induced by molecular binding across protein datasets. In some instances, a direct correlation between structures and functions was successfully established.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1395374"},"PeriodicalIF":3.8,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11962798/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143771920","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Frontiers in ChemistryPub Date : 2025-03-18eCollection Date: 2025-01-01DOI: 10.3389/fchem.2025.1577620
Ranjan Dey
{"title":"Editorial: Intermolecular interaction studies in binary and higher order liquid mixtures, ionic liquids and deep eutectic solvents based systems.","authors":"Ranjan Dey","doi":"10.3389/fchem.2025.1577620","DOIUrl":"10.3389/fchem.2025.1577620","url":null,"abstract":"","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1577620"},"PeriodicalIF":3.8,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11959074/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143763349","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Frontiers in ChemistryPub Date : 2025-03-18eCollection Date: 2025-01-01DOI: 10.3389/fchem.2025.1543588
Pancras Peter, Joseph Clement, Micheal Arockiaraj, Kavin Jacob
{"title":"Predictive modeling of molecular interaction energies using topological and spectral entropies of zeolite AWW.","authors":"Pancras Peter, Joseph Clement, Micheal Arockiaraj, Kavin Jacob","doi":"10.3389/fchem.2025.1543588","DOIUrl":"10.3389/fchem.2025.1543588","url":null,"abstract":"<p><p>Zeolites are extremely massive mineral crystals with complex frameworks, composed of internal porous structures with channels and cages. Open-framework aluminophosphates (AlPOs) are a significant class of inorganic crystalline compounds known for their diverse properties. Our study focuses on the topological aspects of zeolite frameworks using graph theoretical techniques, providing insights into computational chemistry. In this article, we compute various degree-based topological indices, information entropy, and spectral entropies of zeolite AWW using the bond partitioning approach to assess the complexity of the framework. Additionally, we present the HOMO-LUMO gap measures to evaluate the global chemical descriptors using the eigenvalues of the adjacency matrix of zeolite structures. Furthermore, we developed exponential and polynomial regression models using the obtained information entropy and spectral values to predict various potential energies of the framework. Based on the outcomes of the study, we infer that the information entropies and spectral value have a significant relationship with the potential energies.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1543588"},"PeriodicalIF":3.8,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11959045/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143763353","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Composite nanoparticle-based vesicles achieve enhanced delivery effects of the natural plant extract of the root, stem, and fruit.","authors":"Xiaodong Zhuang, Ting Ma, Risheng Liu, Xingyue Fang, Liangjiu Huang","doi":"10.3389/fchem.2025.1552298","DOIUrl":"10.3389/fchem.2025.1552298","url":null,"abstract":"<p><p>The extract of medicinal plants is increasingly popular around the whole world due to its attractive therapeutic effects. However, the bioavailability of the extract of bioactive compounds was barely satisfactory due to its easily deactivated and untargeted properties. The use of nanotechnology to develop novel carrier delivery techniques for bioactive extracts has been proven to have significant potential and provides an amazing improvement in the therapeutic effect. Calcium carbonate nanoparticles (CaCO<sub>3</sub> NPs), as representative biodegradable materials, are well recognized as environmentally responsive delivery vehicles for disease treatment. In this study, extracts of the root of ginseng, the fruit of <i>Alpinia oxyphylla</i> Miq., and the stem of <i>Millettia speciosa</i> Champ. were developed as a CaCO<sub>3</sub> nanoparticle loading drug. All of the three composite nanoparticles exhibited spherical shapes with a narrow size distribution. Notably, the ginseng extract-loaded CaCO<sub>3</sub> NPs hold a relatively higher entrapment efficiency of up to 55.2% ± 6.7% and excellent release performance under acidic conditions (pH = 5.5). Moreover, intravenous injection of ginseng CaCO<sub>3</sub> NPs resulted in significantly enhanced therapeutic effects in the treatment of glioma. The results demonstrate that CaCO<sub>3</sub>-based composite nanoparticles are ideal for the delivery of plant extracts, and the systems are expected to be effective against various types of diseases in the future.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1552298"},"PeriodicalIF":3.8,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11955615/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143751877","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Iridoid glycoside dimers from fruits of <i>Cornus officinalis</i> and their anti-inflammatory activity.","authors":"Ying-Chu Shi, Yu-Xin Yu, Jiu-Xia Gao, Xin Wang, Xiao-Ya Shang, Jia Xu","doi":"10.3389/fchem.2025.1558075","DOIUrl":"10.3389/fchem.2025.1558075","url":null,"abstract":"<p><p>A bioassay-guided phytochemical study of the fruits of <i>Cornus officinalis</i> led to the isolation of six new iridoid glycoside dimers, named corndiridoside A-F (<b>1-6</b>), along with 11 analogs (<b>7-17</b>). The structure of these dimers was elucidated using HRESIMS, 1D and 2D NMR, IR, and UV spectra, as well as literature comparisons. The anti-inflammatory activity of all compounds was evaluated, revealing a significant inhibitory effect on all dimers on the production of NO in LPS-stimulated RAW 264.7 cells at concentrations of 25 and 50 μM. Of the six, compounds <b>2</b> and <b>3</b> showed the strongest anti-inflammatory activity.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1558075"},"PeriodicalIF":3.8,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11955624/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143751857","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}