Frontiers in Chemistry最新文献

{"title":"Editorial: Biocompatible hydrogels: properties, synthesis and applications in biomedicine.","authors":"Lei Nie, Carolina Muñoz-Camargo, Sayan Ganguly, Lahoucine Bahsis, Juan C Cruz, Reza Mohammadinejad, Aldo Nicosia, Luis H Reyes, Xing Wang","doi":"10.3389/fchem.2024.1500836","DOIUrl":"https://doi.org/10.3389/fchem.2024.1500836","url":null,"abstract":"","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1500836"},"PeriodicalIF":3.8,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11496293/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142497997","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":"Editorial: Recent advances in Cancer biomarkers detection in biological samples.","authors":"Francisco G Ortega, Matías D Regiart, Martín A Fernández-Baldo","doi":"10.3389/fchem.2024.1501277","DOIUrl":"https://doi.org/10.3389/fchem.2024.1501277","url":null,"abstract":"","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1501277"},"PeriodicalIF":3.8,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11496282/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142498000","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":"Highly conductive V₄C₃T _<i>x</i> MXene-enhanced polyvinyl alcohol hydrogel electrolytes for flexible all-solid-state supercapacitors.","authors":"Xiaoqing Bin, Minhao Sheng, Wenxiu Que","doi":"10.3389/fchem.2024.1482072","DOIUrl":"https://doi.org/10.3389/fchem.2024.1482072","url":null,"abstract":"<p><p>Hydrogel electrolytes are an integral part of flexible solid-state supercapacitors. To further improve the low ionic conductivity, large interfacial resistance and poor cycling stability for hydrogel electrolytes, the V₄C₃T _<i>x</i> MXene-enhanced polyvinyl alcohol hydrogel electrolyte was fabricated to enhance its mechanical and electrochemical performance. The high-conductivity V₄C₃T _<i>x</i> MXene (16,465.3 S m^-1) bonding transport network was embedded into the PVA-H₂SO₄ hydrogel electrolyte (PVA- H₂SO₄-V₄C₃T _<i>x</i> MXene). Results indicate that compared to the pure PVA-H₂SO₄ hydrogel electrolyte (105.3 mS cm^-1, 48.4%@2,800 cycles), the optimal PVA-H₂SO₄-V₄C₃T _<i>x</i> MXene hydrogel electrolyte demonstrates high ionic conductivity (133.3 mS cm^-1) and commendable long-cycle stability for the flexible solid-state supercapacitors (99.4%@5,500 cycles), as well as favorable mechanical flexibility and self-healing capability. Besides, the electrode of the flexible solid-state supercapacitor with the optimal PVA-H₂SO₄-V₄C₃T _<i>x</i> MXene hydrogel as the solid-state electrolyte has a capacitance of 370 F g^-1 with almost no degradation in capacitance even under bending from 0° to 180°. The corresponding energy density for flexible device is 4.6 Wh kg^-1, which is twice for that of PVA-H₂SO₄ hydrogel as the solid-state electrolyte.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1482072"},"PeriodicalIF":3.8,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11496089/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142498001","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":"Computational exploration of acefylline derivatives as MAO-B inhibitors for Parkinson's disease: insights from molecular docking, DFT, ADMET, and molecular dynamics approaches.","authors":"Ali Irfan, Ameer Fawad Zahoor, Yassir Boulaamane, Sadia Javed, Huma Hameed, Amal Maurady, Muhammed Tilahun Muhammed, Sajjad Ahmad, Aamal A Al-Mutairi, Irum Shahzadi, Sami A Al-Hussain, Magdi E A Zaki","doi":"10.3389/fchem.2024.1449165","DOIUrl":"https://doi.org/10.3389/fchem.2024.1449165","url":null,"abstract":"<p><p>Monoamine oxidase B (MAO-B) plays a pivotal role in the deamination process of monoamines, encompassing crucial neurotransmitters like dopamine and norepinephrine. The heightened interest in MAO-B inhibitors emerged after the revelation that this enzyme could potentially catalyze the formation of neurotoxic compounds from endogenous and exogenous sources. Computational screening methodologies serve as valuable tools in the quest for novel inhibitors, enhancing the efficiency of this pursuit. In this study, 43 acefylline derivatives were docked against the MAO-B enzyme for their chemotherapeutic potential and binding affinities that yielded GOLD fitness scores ranging from 33.21 to 75.22. Among them, five acefylline derivatives, namely, <b>MAO-B14</b>, <b>MAO-B15</b>, <b>MAO-B16</b>, <b>MAO-B20</b>, and <b>MAO-B21</b>, displayed binding affinities comparable to the both standards istradefylline and safinamide. These derivatives exhibited hydrogen-bonding interactions with key amino acids Phe167 and Ile197/198, suggesting their strong potential as MAO-B inhibitors. Finally, molecular dynamics (MD) simulations were conducted to evaluate the stability of the examined acefylline derivatives over time. The simulations demonstrated that among the examined acefylline derivatives and standards, <b>MAO-B21</b> stands out as the most stable candidate. Density functional theory (DFT) studies were also performed to optimize the geometries of the ligands, and molecular docking was conducted to predict the orientations of the ligands within the binding cavity of the protein and evaluate their molecular interactions. These results were also validated by simulation-based binding free energies <i>via</i> the molecular mechanics energies combined with generalized Born and surface area solvation (MM-GBSA) method. However, it is necessary to conduct <i>in vitro</i> and <i>in vivo</i> experiments to confirm and validate these findings in future studies.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1449165"},"PeriodicalIF":3.8,"publicationDate":"2024-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11493617/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142497996","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":"Stretching the structural envelope of imatinib to reduce β-amyloid production by modulating both β- and γ-secretase cleavages of APP.","authors":"William J Netzer, Anjana Sinha, Mondana Ghias, Emily Chang, Katherina Gindinova, Emily Mui, Ji-Seon Seo, Subhash C Sinha","doi":"10.3389/fchem.2024.1381205","DOIUrl":"https://doi.org/10.3389/fchem.2024.1381205","url":null,"abstract":"<p><p>We previously showed that the anticancer drug imatinib mesylate (IMT, trade name: Gleevec) and a chemically distinct compound, DV2-103 (a kinase-inactive derivative of the potent Abl and Src kinase inhibitor, PD173955) lower Aβ levels at low micromolar concentrations primarily through a lysosome-dependent mechanism that renders APP less susceptible to proteolysis by BACE1 without directly inhibiting BACE1 enzymatic activity, or broadly inhibiting the processing of other BACE1 substrates. Additionally, IMT indirectly inhibits γ-secretase and stimulates autophagy, and thus may decrease Aβ levels through multiple pathways. In two recent studies we demonstrated similar effects on APP metabolism caused by derivatives of IMT and DV2-103. In the present study, we synthesized and tested radically altered IMT isomers (IMTi's) that possess medium structural similarity to IMT. Independent of structural similarity, these isomers manifest widely differing potencies in altering APP metabolism. These will enable us to choose the most potent isomers for further derivatization.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1381205"},"PeriodicalIF":3.8,"publicationDate":"2024-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11493595/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142498005","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":"Editorial: Nanomedicine development and clinical translation.","authors":"Chuanqi Peng","doi":"10.3389/fchem.2024.1458690","DOIUrl":"https://doi.org/10.3389/fchem.2024.1458690","url":null,"abstract":"","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1458690"},"PeriodicalIF":3.8,"publicationDate":"2024-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11493696/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142497999","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":"Oxidative stress: fundamentals and advances in quantification techniques.","authors":"Hari Krishnan Krishnamurthy, Michelle Pereira, Imbaasree Rajavelu, Vasanth Jayaraman, Karthik Krishna, Tianhao Wang, Kang Bei, John J Rajasekaran","doi":"10.3389/fchem.2024.1470458","DOIUrl":"10.3389/fchem.2024.1470458","url":null,"abstract":"<p><p>Oxidative species, generated endogenously via metabolism or from exogenous sources, play crucial roles in the body. At low levels, these species support immune functions by participating in phagocytosis. They also aid in cellular signaling and contribute to vasomodulation. However, when the levels of oxidative species exceed the body's antioxidant capacity to neutralize them, oxidative stress occurs. This stress can damage cellular macromolecules such as lipids, DNA, RNA, and proteins, driving the pathogenesis of diseases and aging through the progressive deterioration of physiological functions and cellular structures. Therefore, the body's ability to manage oxidative stress and maintain it at optimal levels is essential for overall health. Understanding the fundamentals of oxidative stress, along with its reliable quantification, can enable consistency and comparability in clinical practice across various diseases. While direct quantification of oxidant species in the body would be ideal for assessing oxidative stress, it is not feasible due to their high reactivity, short half-life, and the challenges of quantification using conventional techniques. Alternatively, quantifying lipid peroxidation, damage products of nucleic acids and proteins, as well as endogenous and exogenous antioxidants, serves as appropriate markers for indicating the degree of oxidative stress in the body. Along with the conventional oxidative stress markers, this review also discusses the role of novel markers, focusing on their biological samples and detection techniques. Effective quantification of oxidative stress may enhance the understanding of this phenomenon, aiding in the maintenance of cellular integrity, prevention of age-associated diseases, and promotion of longevity.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1470458"},"PeriodicalIF":3.8,"publicationDate":"2024-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11491411/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142461911","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":"Recent advances in cancer detection using dynamic, stimuli-responsive supramolecular chemosensors. a focus review.","authors":"Kotaro Matsumoto, Keiichi Nakagawa, Daisuke Asanuma, Gaku Fukuhara","doi":"10.3389/fchem.2024.1478034","DOIUrl":"10.3389/fchem.2024.1478034","url":null,"abstract":"<p><p>In current chemistry, supramolecular materials that respond to a wide variety of external stimuli, such as solvents, temperature, light excitation, pH, and mechanical forces (pressure, stress, strain, and tension), have attracted considerable attention; for example, we have developed cyclodextrins, cucurbiturils, pillararenes, calixarenes, crown ether-based chemical sensors, or chemosensors. These supramolecular chemosensors have potential applications in imaging, probing, and cancer detection. Recently, we focused on pressure, particularly solution-state hydrostatic pressure, from the viewpoint of cancer therapy. This Mini Review summarizes (i) why hydrostatic pressure is important, particularly in biology, and (ii) what we can do using hydrostatic pressure stimulation.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1478034"},"PeriodicalIF":3.8,"publicationDate":"2024-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11491855/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142461912","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":"Editorial: Carbon-based materials: powering the future of energy and environmental progress.","authors":"Nimra Nadeem, Muhammad Zahid, Qamar Abbas, Asim Jilani","doi":"10.3389/fchem.2024.1481960","DOIUrl":"https://doi.org/10.3389/fchem.2024.1481960","url":null,"abstract":"","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1481960"},"PeriodicalIF":3.8,"publicationDate":"2024-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11499632/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142497998","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":"Stemona alkaloid derivative induce ferroptosis of colorectal cancer cell by mediating carnitine palmitoyltransferase 1.","authors":"He Yang, Ling Wang, Mengcheng Zhang, Xingkang Wu, Zhenyu Li, Kaiqing Ma","doi":"10.3389/fchem.2024.1478674","DOIUrl":"https://doi.org/10.3389/fchem.2024.1478674","url":null,"abstract":"<p><p>Accumulation of acylcarnitines is a characteristic feature of various metabolic disorders affecting fatty acid metabolism. Despite extensive research, no specific molecules have been identified to induce ferroptosis through the regulation of acylcarnitine metabolism. In this study, acylcarnitine accumulation was identified based on cell metabolomics study after the treatment with Stemona alkaloid derivative (SA-11), which was proved to induce ferroptosis in our previous research. Furthermore, the CPT-1 level was proved to significantly increase, while the CPT-2 level indicated no significant difference, which resulted in the accumulation of acylcarnitine. Besides, the ferroptosis-inducing ability of SA-11 was significantly enhanced by the addition of exogenous acylcarnitine, presumably due to the production of additional ROS. This hypothesis was corroborated by the observation of increased ROS levels in HCT-116 cells treated with SA-11 compared to the control group. These findings suggest that targeting acylcarnitine metabolism, particularly through CPT-1, may offer a novel therapeutic strategy for cancer treatment by enhancing ferroptosis induction.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1478674"},"PeriodicalIF":3.8,"publicationDate":"2024-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11484037/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142461913","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}