Frontiers in ChemistryPub Date : 2025-07-15eCollection Date: 2025-01-01DOI: 10.3389/fchem.2025.1623449
Ru-Nan Fang, Yang Zhou, Yang Shen, Yuan Sun, Jian-Hong Li
{"title":"Investigation of the mechanism of Xiaoyin Jiedu Yin in the treatment of psoriasis based on bioinformatics, machine learning.","authors":"Ru-Nan Fang, Yang Zhou, Yang Shen, Yuan Sun, Jian-Hong Li","doi":"10.3389/fchem.2025.1623449","DOIUrl":"https://doi.org/10.3389/fchem.2025.1623449","url":null,"abstract":"<p><strong>Introduction: </strong>Psoriasis is a chronic immune-mediated inflammatory skin disease. Xiaoyin Jiedu Decoction (XYJDY) is a traditional Chinese medicinal formula that has demonstrated significant clinical efficacy in alleviating psoriatic symptoms; however, its underlying pharmacological mechanisms remain unclear.</p><p><strong>Methods: </strong>We employed network pharmacology, machine learning-based target screening, and functional enrichment to identify key targets and pathways. Single-cell RNA sequencing (scRNA-seq) and spatial transcriptomics (ST) were used to validate gene expression. An IL-17A-induced HaCaT cell model was established for <i>in vitro</i> validation.</p><p><strong>Results: </strong>AKR1B10 was identified as the core therapeutic target of XYJDY in psoriasis. It was markedly upregulated in psoriatic skin lesions, primarily enriched in keratinocytes, and its expression demonstrated positive correlations with multiple pro-inflammatory immune cell subsets. <i>In vitro</i> experiments showed that XYJDY-medicated serum significantly downregulated AKR1B10 expression in IL-17A-stimulated HaCaT cells.</p><p><strong>Conclusion: </strong>This study reveals that the multi-component formula XYJDY exerts anti-psoriatic effects through a multi-target synergistic mechanism, in which AKR1B10 is a potential core target. These findings provide a theoretical foundation for further exploration of the molecular mechanisms underlying the efficacy of XYJDY in psoriasis treatment.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1623449"},"PeriodicalIF":4.2,"publicationDate":"2025-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12303907/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144741801","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":"Elucidating the aluminum storage mechanism in cobalt sulfide cathode materials for advanced batteries.","authors":"Ruiyuan Zhuang, Yongqing Li, Junhong Wang, Jianfeng Zhan, Jiangnan Yan, Yaru Chen, Wenhui Mo, Jun Zhang","doi":"10.3389/fchem.2025.1633529","DOIUrl":"https://doi.org/10.3389/fchem.2025.1633529","url":null,"abstract":"<p><p>Rechargeable aluminum-ion batteries (AIBs), as novel energy storage systems featuring low-cost, high-energy density, and superior safety, demonstrate promising potential as a next-generation battery technology. However, the lack of high-performance cathode materials remains a critical barrier to practical implementation. In this study, highly crystalline cobalt sulfide (Co<sub>9</sub>S<sub>8</sub>) nanoparticles were synthesized using a one-step hydrothermal method and systematically evaluated their electrochemical performance and energy storage mechanisms in AIBs. Structural characterization revealed that while the synthesized material maintained high crystallinity, it formed agglomerates during the synthesis process that induced severe electrode polarization and limited ion diffusion kinetics. Electrochemical analysis demonstrated a reversible capacity of 48 mAh g<sup>-1</sup> after 500 cycles at a current density of 100 mA g<sup>-1</sup>, indicating moderate cycling stability. DFT calculations with Bader charge analysis provided atomic-scale insights, revealing that Al<sup>3+</sup> preferentially occupies Co. lattice sites through a pseudo-isomorphic substitution mechanism, exhibiting a 52.5% lower formation energy compared to S-site substitution. This work establishes critical correlations between morphological characteristics and electrochemical performance while proposing a novel cation substitution mechanism for energy storage. These findings provide fundamental insights for designing high-kinetics transition metal sulfide cathodes and advance the development of practical multivalent-ion battery systems.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1633529"},"PeriodicalIF":4.2,"publicationDate":"2025-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12305473/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144741800","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 : 2025-07-14eCollection Date: 2025-01-01DOI: 10.3389/fchem.2025.1631183
Yuqiang Pan
{"title":"Magnetic nanocatalyst for microwave-assisted synthesis of Benzo[4,5]imidazo[1,2-<i>a</i>]pyrimidines via A3 coupling.","authors":"Yuqiang Pan","doi":"10.3389/fchem.2025.1631183","DOIUrl":"10.3389/fchem.2025.1631183","url":null,"abstract":"<p><p>This manuscript introduces an innovative and environmentally benign magnetic nanocatalyst (NiFe<sub>2</sub>O<sub>4</sub>@MCM-41@IL/Pt(II)) designed to synthesize benzoimidazo[1,2-<i>a</i>]pyrimidines via a microwave-assisted, one-pot A3 coupling reaction. The methodology employs aromatic and heteroaromatic aldehydes, 2-aminobenzimidazole derivatives, and terminal alkynes in water as a green solvent, leveraging the synergistic effects of nanocatalysis and microwave irradiation. The magnetic nanocatalyst, characterized by its robust structure and high surface reactivity, facilitates rapid reaction kinetics, achieving excellent yields while significantly reducing energy consumption and reaction time compared to conventional thermal approaches. Its inherent magnetic properties enable straightforward separation and reuse across multiple cycles without appreciable loss in catalytic efficiency, aligning with sustainable chemistry principles. The protocol demonstrates broad substrate compatibility, successfully accommodating diverse aldehydes, including challenging heteroaromatic systems, to furnish a library of pharmaceutically relevant heterocycles. This broad substrate compatibility underscores the versatility of the nanocatalyst, making it a valuable tool for a wide range of chemical synthesis applications. This work highlights the transformative role of hybrid methodologies in addressing both efficiency and environmental impact in chemical synthesis.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1631183"},"PeriodicalIF":4.2,"publicationDate":"2025-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12302415/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144729272","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":"Synthesis, X-ray crystallography, spectroscopic characterizations, and density functional theory of the chloride-bound five-coordinate high-spin Iron(II) \"Picket Fence\" porphyrin complex.","authors":"Feriel Salhi, Mondher Dhifet, Bouzid Gassoumi, Noureddine Issaoui, Habib Nasri","doi":"10.3389/fchem.2025.1607585","DOIUrl":"10.3389/fchem.2025.1607585","url":null,"abstract":"<p><p>An Fe(II)-chlorido five-coordinate picket fence porphyrin complex with the formula [K (crypt-222)][Fe<sup>II</sup>(TpivPP)Cl]·C<sub>6</sub>H<sub>5</sub>Cl (<b>I</b>) (where TpivPP is the picket fence porphyrin and crypt-222 is the cryptand-222) has been synthesized and characterized. Cryptand-222 was used to solubilize potassium chloride . UV/Vis and IR spectroscopic data studies have also been performed. The X-ray structural analysis indicates that the Fe(II) cation is a high-spin (S = 2) porphyrin and has the <math> <mrow> <msup> <mrow> <mfenced> <mrow><msub><mi>d</mi> <mrow><mi>x</mi> <mi>y</mi></mrow> </msub> </mrow> </mfenced> </mrow> <mn>2</mn></msup> <msup> <mrow> <mfenced> <mrow><msub><mi>d</mi> <mrow><mi>x</mi> <mi>z</mi></mrow> </msub> </mrow> </mfenced> </mrow> <mn>1</mn></msup> <msup> <mrow> <mfenced> <mrow><msub><mi>d</mi> <mrow><mi>y</mi> <mi>z</mi></mrow> </msub> </mrow> </mfenced> </mrow> <mn>1</mn></msup> <msup> <mrow> <mfenced> <mrow><msub><mi>d</mi> <msup><mi>z</mi> <mn>2</mn></msup> </msub> </mrow> </mfenced> </mrow> <mn>1</mn></msup> <msup> <mrow> <mfenced> <mrow><msub><mi>d</mi> <mrow><msup><mi>x</mi> <mn>2</mn></msup> <mo>-</mo> <msup><mi>y</mi> <mn>2</mn></msup> </mrow> </msub> </mrow> </mfenced> </mrow> <mn>1</mn></msup> </mrow> </math> ground-state electronic configuration. The average equatorial iron-pyrrole N bond length (Fe<sup>__</sup>N<sub>p</sub> = 2.1091(2) Å) and the distance between the iron and the 24-atom mean plane of the porphyrin ring (Fe-P<sub>C</sub> = 0.57 Å) are similar to those of the reported five-coordinated Fe(II) high-spin (S =2) metalloporphyrins. Theoretical calculations on complex <b>I</b> were carried out, including (i) the optimized molecular structure using the DFT/B3LYP-D3/LanL2DZ level of theory, (ii), frontier molecular orbital (FMO) calculations, (iii) molecular electronic potential analysis (MEP), and (vi) the ELF and LOL analyses. These latter theoretical studies indicate the strong hydrogen bond linking the oxygen atom of the pivaloyl groups of the TpivPP porphyrinate and some carbon atoms of the cryptand-222.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1607585"},"PeriodicalIF":4.2,"publicationDate":"2025-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12302510/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144729273","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 : 2025-07-10eCollection Date: 2025-01-01DOI: 10.3389/fchem.2025.1633850
Zhang Xiaowei, Wang Shuqi, Zhang Ke, Feng Liang, Xu Anchuan, Zhong Risheng, Chen Dan, Wang Chunqiong, Zhang Jiwu, Wan Yueying, Long Jie, Chen Haitao
{"title":"Decoding key aroma components of three cigar tobacco leaves based on molecular sensory science.","authors":"Zhang Xiaowei, Wang Shuqi, Zhang Ke, Feng Liang, Xu Anchuan, Zhong Risheng, Chen Dan, Wang Chunqiong, Zhang Jiwu, Wan Yueying, Long Jie, Chen Haitao","doi":"10.3389/fchem.2025.1633850","DOIUrl":"10.3389/fchem.2025.1633850","url":null,"abstract":"<p><p>Cigar is a flavor-dependent cash crop. However, the key aroma compounds of tobacco leaves are less studied. In this study, we used molecular sensory science to explore the key aroma compounds of cigar tobacco leaves from three different origins in Yunnan, China. The results showed that a total of 33 aroma compounds were quantitatively analyzed in the three tobaccos, among which there were eight key aroma components in YXYY, eight in DHYY, and four in PEYY with odor activity value (OAV)≥1 and flavor dilution (FD)≥2. Through recombination and omission experiments, the key aroma actives were further identified as phytol, acetic acid, isovaleric acid, 3-methylpentanoic acid, and (E)-5-isopropyl-8-methylnona-6,8-dien-2-one in YXYY, styrene, (E)-5-isopropyl-8-methylnona-6,8-dien-2-one, irisone, and phytol in DHYY, and acetic acid, styrene, and phytol in PEYY. In conclusion the present study revealed the key aroma compounds and their differences in cigar tobacco from three different origins. It provides insights for a comprehensive exploration of the unique flavors of cigars.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1633850"},"PeriodicalIF":4.2,"publicationDate":"2025-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12287006/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144706960","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 : 2025-07-08eCollection Date: 2025-01-01DOI: 10.3389/fchem.2025.1624736
Adriana Lara, Erika Cely, Edwin Gómez-Pachón, Andres Rubiano-Navarrete, Alex López, Adrian Krzysztof Antosik, Xavier Vendrell, Jarosław Serafin
{"title":"Cannabis-derived cellulose acetate electrospun membranes for therapeutic dressings: extraction, characterization, and prototype development.","authors":"Adriana Lara, Erika Cely, Edwin Gómez-Pachón, Andres Rubiano-Navarrete, Alex López, Adrian Krzysztof Antosik, Xavier Vendrell, Jarosław Serafin","doi":"10.3389/fchem.2025.1624736","DOIUrl":"10.3389/fchem.2025.1624736","url":null,"abstract":"<p><p>This work reports the development of electrospun cellulose acetate (CA) membranes derived from <i>Cannabis sativa</i> biomass for potential use in therapeutic dressings. Cellulose was extracted from cannabis stalks using alkaline pulping and bleaching, followed by homogeneous acetylation to obtain CA with controlled substitution. CA solutions (13%-25%) were electrospun under varying parameters, and the 17% formulation yielded the most homogeneous, bead-free nanofibers. The resulting membranes were characterized using FTIR, XRD, Raman spectroscopy, UV-Vis spectrophotometry, and SEM. FTIR and Raman confirmed acetylation through characteristic ester and methyl group vibrations. XRD revealed reduced crystallinity in CA compared to native cellulose. SEM analysis showed uniform fiber networks with diameters between 500 and 800 nm. A bilayer dressing prototype was fabricated by integrating the electrospun membrane with a medical-grade silicone adhesive. Adhesion performance was evaluated on synthetic skin using a FINAT-standardized 180° peel test. The membranes demonstrated adequate mechanical cohesion and conformability, supporting their application as sustainable, plant-based biomedical patches.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1624736"},"PeriodicalIF":3.8,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12279836/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144689785","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 : 2025-07-08eCollection Date: 2025-01-01DOI: 10.3389/fchem.2025.1634637
Celine Cammarere, Jaeden Cortés, T Grant Glover, Randall Q Snurr, Joseph T Hupp, Jian Liu
{"title":"Water-enhanced CO<sub>2</sub> capture in metal-organic frameworks.","authors":"Celine Cammarere, Jaeden Cortés, T Grant Glover, Randall Q Snurr, Joseph T Hupp, Jian Liu","doi":"10.3389/fchem.2025.1634637","DOIUrl":"10.3389/fchem.2025.1634637","url":null,"abstract":"<p><p>CO<sub>2</sub> capture from post-combustion flue gas originating from coal or natural gas power plants, or even from the ambient atmosphere, is a promising strategy to reduce the atmospheric CO<sub>2</sub> concentration and achieve global decarbonization goals. However, the co-existence of water vapor in these sources presents a significant challenge, as water often competes with CO<sub>2</sub> for adsorption sites, thereby diminishing the performance of adsorbent materials. Selectively capturing CO<sub>2</sub> in the presence of moisture is a key goal, as there is a growing demand for materials capable of selectively adsorbing CO<sub>2</sub> under humid conditions. Among these, metal-organic frameworks (MOFs), a class of porous, highly tunable materials, have attracted extensive interest for gas capture, storage, and separation applications. The numerous combinations of secondary building units and organic linkers offer abundant opportunities for designing systems with enhanced CO<sub>2</sub> selectivity. Interestingly, some recent studies have demonstrated that interactions between water and CO<sub>2</sub> within the confined pore space of MOFs can enhance CO<sub>2</sub> uptake, flipping the traditionally detrimental role of moisture into a beneficial one. These findings introduce a new paradigm: water-enhanced CO<sub>2</sub> capture in MOFs. In this review, we summarize these recent discoveries, highlighting examples of MOFs that exhibit enhanced CO<sub>2</sub> adsorption under humid conditions compared to dry conditions. We discuss the underlying mechanisms, design strategies, and structural features that enable this behavior. Finally, we offer a brief perspective on future directions for MOF development in the context of water-enhanced CO<sub>2</sub> capture.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1634637"},"PeriodicalIF":3.8,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12279785/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144689787","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 : 2025-07-08eCollection Date: 2025-01-01DOI: 10.3389/fchem.2025.1632046
Hyundo Lee, Jisan Kim, Ji-Woon Kim, Yoonji Lee
{"title":"Recent advances in AI-based toxicity prediction for drug discovery.","authors":"Hyundo Lee, Jisan Kim, Ji-Woon Kim, Yoonji Lee","doi":"10.3389/fchem.2025.1632046","DOIUrl":"10.3389/fchem.2025.1632046","url":null,"abstract":"<p><p>Toxicity, defined as the potential harm a substance can cause to living organisms, requires the implementation of stringent regulatory standards to ensure public safety. These standards involve comprehensive testing frameworks, including hazard identification, dose-response evaluation, exposure assessment, and risk characterization. In drug discovery and development, these processes are often complex, time-consuming, and also resource-intensive. Toxicity-related failures in the later stages of drug development can lead to substantial financial losses, underscoring the need for reliable toxicity prediction during the early discovery phases. The advent of computational approaches has accelerated a shift toward <i>in silico</i> modeling, virtual screening, and, notably, artificial intelligence (AI) to identify potential toxicities earlier in the pipeline. Ongoing advances in databases, algorithms, and computational power have further expanded AI's role in pharmaceutical research. Today, AI models are capable of predicting wide range of toxicity endpoints, such as hepatotoxicity, cardiotoxicity, nephrotoxicity, neurotoxicity, and genotoxicity, based on diverse molecular representations ranging from traditional descriptors to graph-based methods. This review provides an in-depth examination of AI-driven toxicity prediction, emphasizing its transformative impact on drug discovery and its growing importance in improving safety assessments.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1632046"},"PeriodicalIF":3.8,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12279745/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144689786","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":"Phomaderide, a unique (6/5/4/5/6) spiro-cyclic dimer from the desert plant endophytic fungus <i>Phoma betae</i> A. B. Frank (Didymellaceae).","authors":"Hao-Di Sun, Yan-Duo Wang, Hui-Qi Fang, Jian Yang, Yu-Tong Hua, Gang Ding, Lan-Ping Guo","doi":"10.3389/fchem.2025.1583666","DOIUrl":"10.3389/fchem.2025.1583666","url":null,"abstract":"<p><strong>Introduction: </strong>Endophytic fungi from desert plants are prolific producers of structurally unique stress-responsive metabolites. This study investigates the secondary metabolites of Phoma betae A. B. Frank (Didymellaceae), a desert plant endophytic fungus, aiming to discover novel bioactive compounds through advanced molecular networking strategies.</p><p><strong>Methods: </strong>A building blocks-based molecular network (BBMN) strategy was employed to screen the fungal extract. Target compounds were isolated using silica gel and ODS column chromatography, followed by semi-preparative HPLC purification. Structural elucidation was achieved through comprehensive NMR spectroscopy, mass fragmentation pathway analysis, and electronic circular dichroism (ECD) calculations. Cytotoxicity was evaluated against HeLa and A549 cancer cell lines using CCK-8 assays.</p><p><strong>Results: </strong>Three compounds were characterized:Phomaderide (3), a unique (6/5/4/5/6) spiro-cyclic dimer formed via stereoselective [2+2] photocycloaddition of two phaeosphaeride A (1) monomers. Its biosynthetic precursor phaeosphaeride A (1). A new hydroxylated analog, phaeosphaeride C (2). Compounds 2 and 3 exhibited moderate cytotoxicity against HeLa (IC<sub>50</sub> 29.97-39.15 μM) and A549 cells (IC<sub>50</sub> 30.47-58.33 μM).</p><p><strong>Discussion: </strong>This work highlights the metabolic versatility of extremophilic fungi, demonstrating Phoma betae's capacity to generate architecturally complex molecules. Phomaderide's unprecedented spiro-cyclic dimer scaffold positions it as a promising lead for anticancer drug discovery, with structural modifications (hydroxylation and dimerization) significantly influencing bioactivity. The BBMN strategy proved effective for targeted isolation of structurally related analogs from complex extracts.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1583666"},"PeriodicalIF":3.8,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12277343/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144682302","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":"Determination of citrate content in specialty paper based on headspace gas chromatography.","authors":"Qiyu He, Baoshan Yue, Xinruitong Liu, Hongyue Zhu, Zhenhua Yu, Ying Zhang, Cong Gao, Wei Chen, Yingchun Luo, Jiao Xie, Yi Dai","doi":"10.3389/fchem.2025.1643516","DOIUrl":"10.3389/fchem.2025.1643516","url":null,"abstract":"<p><p>A method for determining citrate content in specialty paper using headspace gas chromatography (HS-GC) is proposed. This method is based on the reaction between sodium citrate and potassium permanganate under acidic conditions, which generates CO<sub>2</sub>. The CO<sub>2</sub> is detected by a thermal conductivity detector and the sodium citrate content is calculated using a standard curve. Optimization of the method was conducted by investigating various parameters, including gas chromatography conditions, equilibrium time, equilibrium temperature, and injection volume. The method's accuracy and precision were assessed through method validation. The results demonstrated that the relative standard deviation (RSD) was ≤3.00%, and the recovery rate ranged from 91% to 102%, indicating good reliability and accuracy. This method is simple, rapid, and precise, making it an effective approach for the determination of citrate content in specialty paper.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"13 ","pages":"1643516"},"PeriodicalIF":3.8,"publicationDate":"2025-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12271866/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144674237","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}