Nivedya T., Nilmadhab Roy, Priyankar Paira and Rinku Chakrabarty
A common simple scaffold, 1,3-diaryl-2-propen-1-one (also known as chalcone), is present in many important natural products. This scaffold is the backbone of several flavonoids and isoflavonoids. Owing to the simple approachable synthetic strategies and the rigid backbone of chalcone and its derivatives, they have captivated the attention of researchers for several decades. Chalcone and its derivatives possess strong biological activities, viz. anti-tumor activity and anticancer potency. Accordingly, the in vitro and in vivo anticancer activities of several chalcone-based compounds with strong anticancer potential have been identified, which relies on mechanisms such as cell cycle arrest, regulation of autophagy, and induction of apoptosis. Therefore, researchers have successfully introduced chalcone derivatives to achieve enhanced anticancer activity in traditional chemotherapy. Nevertheless, in-depth research on this highly impactful scaffold is lacking to date. Thus, in this review, we shed light on the recent advances in the relatively unexplored scaffolds of chalcone and its derivatives, which have substantial anticancer activities. Furthermore, future perspectives of the mushrooming research on chalcones as potential anticancer agents (therapeutics) are emphasized.
{"title":"Excavating medicinal virtues of chalcones to illuminate a new scope in cancer chemotherapy","authors":"Nivedya T., Nilmadhab Roy, Priyankar Paira and Rinku Chakrabarty","doi":"10.1039/D5RA01280E","DOIUrl":"https://doi.org/10.1039/D5RA01280E","url":null,"abstract":"<p >A common simple scaffold, 1,3-diaryl-2-propen-1-one (also known as chalcone), is present in many important natural products. This scaffold is the backbone of several flavonoids and isoflavonoids. Owing to the simple approachable synthetic strategies and the rigid backbone of chalcone and its derivatives, they have captivated the attention of researchers for several decades. Chalcone and its derivatives possess strong biological activities, <em>viz.</em> anti-tumor activity and anticancer potency. Accordingly, the <em>in vitro</em> and <em>in vivo</em> anticancer activities of several chalcone-based compounds with strong anticancer potential have been identified, which relies on mechanisms such as cell cycle arrest, regulation of autophagy, and induction of apoptosis. Therefore, researchers have successfully introduced chalcone derivatives to achieve enhanced anticancer activity in traditional chemotherapy. Nevertheless, in-depth research on this highly impactful scaffold is lacking to date. Thus, in this review, we shed light on the recent advances in the relatively unexplored scaffolds of chalcone and its derivatives, which have substantial anticancer activities. Furthermore, future perspectives of the mushrooming research on chalcones as potential anticancer agents (therapeutics) are emphasized.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 15","pages":" 11617-11638"},"PeriodicalIF":3.9,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra01280e?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143826559","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}
We synthesized a Cu4I4(3-picoline)4 cluster scintillator with high X-ray attenuation and a 89.25% photoluminescence quantum yield. In situ fabrication yielded screens showing a high light yield (60 617 photons per MeV), low detection limit (0.91 μGyair s−1), and exceptional resolution (13 lp per mm). Non-destructive testing ability was demonstrated by imaging from plastic to metal.
{"title":"Non-destructive testing of mechanical components achieved by hybrid copper–iodide cluster†","authors":"Rui-jia Dong and Ze-qi Wu","doi":"10.1039/D5RA00959F","DOIUrl":"https://doi.org/10.1039/D5RA00959F","url":null,"abstract":"<p >We synthesized a Cu<small><sub>4</sub></small>I<small><sub>4</sub></small>(3-picoline)<small><sub>4</sub></small> cluster scintillator with high X-ray attenuation and a 89.25% photoluminescence quantum yield. <em>In situ</em> fabrication yielded screens showing a high light yield (60 617 photons per MeV), low detection limit (0.91 μGy<small><sub>air</sub></small> s<small><sup>−1</sup></small>), and exceptional resolution (13 lp per mm). Non-destructive testing ability was demonstrated by imaging from plastic to metal.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 15","pages":" 11639-11644"},"PeriodicalIF":3.9,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra00959f?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143826560","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}
Pub Date : 2025-04-13DOI: 10.1021/acs.macromol.4c02526
Kellie A. Stellmach, McKinley K. Paul, Yong-Liang Su, Rampi Ramprasad, Anthony C. Engler, Will R. Gutekunst
The investigation of low ceiling temperature (Tc) monomers is an active area of research in the field of polymer science to address modern challenges in waste and recycling. Many commendable contributions have been made to this field; however, a thorough survey of the literature has revealed common oversights in the calculations of the changes in enthalpy (ΔHp) and entropy (ΔSp) upon polymerization as well as Tc. This Perspective aims to clarify how to avoid these pitfalls, accurately calculate these values, and outline best practices for experimentally measuring these key thermodynamic parameters. In an era where researchers are increasingly reliant on the quality of data, especially for endeavors in machine learning and artificial intelligence, it is important to establish a unified approach for making these calculations to optimize precision and accuracy.
{"title":"Improving the Accuracy of Ceiling Temperature Measurements: Best Practices and Common Pitfalls","authors":"Kellie A. Stellmach, McKinley K. Paul, Yong-Liang Su, Rampi Ramprasad, Anthony C. Engler, Will R. Gutekunst","doi":"10.1021/acs.macromol.4c02526","DOIUrl":"https://doi.org/10.1021/acs.macromol.4c02526","url":null,"abstract":"The investigation of low ceiling temperature (<i>T</i><sub>c</sub>) monomers is an active area of research in the field of polymer science to address modern challenges in waste and recycling. Many commendable contributions have been made to this field; however, a thorough survey of the literature has revealed common oversights in the calculations of the changes in enthalpy (Δ<i>H</i><sub>p</sub>) and entropy (Δ<i>S</i><sub>p</sub>) upon polymerization as well as <i>T</i><sub>c</sub>. This Perspective aims to clarify how to avoid these pitfalls, accurately calculate these values, and outline best practices for experimentally measuring these key thermodynamic parameters. In an era where researchers are increasingly reliant on the quality of data, especially for endeavors in machine learning and artificial intelligence, it is important to establish a unified approach for making these calculations to optimize precision and accuracy.","PeriodicalId":51,"journal":{"name":"Macromolecules","volume":"8 1","pages":""},"PeriodicalIF":5.5,"publicationDate":"2025-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143824831","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-04-13DOI: 10.1038/s41570-025-00716-4
Eleanor Campbell, Stephanie Greed
Ahead of her 65th birthday, Eleanor Campbell, the Chair of Chemistry at the University of Edinburgh, discusses her life from a fascination with science fiction growing up to her successful research career exploring carbon nanomaterials.
{"title":"A career in pursuit of the fundamentals","authors":"Eleanor Campbell, Stephanie Greed","doi":"10.1038/s41570-025-00716-4","DOIUrl":"https://doi.org/10.1038/s41570-025-00716-4","url":null,"abstract":"Ahead of her 65th birthday, Eleanor Campbell, the Chair of Chemistry at the University of Edinburgh, discusses her life from a fascination with science fiction growing up to her successful research career exploring carbon nanomaterials.","PeriodicalId":18849,"journal":{"name":"Nature reviews. Chemistry","volume":"110 1","pages":""},"PeriodicalIF":36.3,"publicationDate":"2025-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143824842","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-04-13DOI: 10.1016/j.bioorg.2025.108449
Saleem Akbar , Tushar Setia , Subham Das , Shalini Kumari , Sk Batin Rahaman , Mohd Wasim , Bahar Ahmed , Rikeshwer Prasad Dewangan
In the pursuit of novel chemotherapeutic agents for skin cancer, we synthesized a series of 1,4-benzodioxane-hydrazone derivatives (7a–l) using the Wolff-Kishner reaction. These compounds were initially screened against the NCI-60 oncological cell lines in a one-dose assay at 10 μM. Among them, compound 7e emerged as a potent inhibitor of cancer cell growth across 56 cell lines, with an average GI50 of 6.92 μM. Notably, it exhibited enhanced efficacy in melanoma cell lines, including MDA-MB-435, M14, SK-MEL-2, and UACC-62, with GI50 values of 0.20, 0.46, 0.57, and 0.27 μM, respectively. Apoptosis assay and cell cycle analysis studies revealed that compound 7e induced apoptosis and caused S-phase arrest in MDA-MB-435 cells. Furthermore, an in vitro enzyme inhibition assay against mTOR kinase yielded an IC50 of 5.47 μM, while molecular docking studies of compound 7e (docking score: −8.105 kcal/mol) supported its binding affinity. Compound 7e adhered to Lipinski's rule of five and displayed favourable ADMET properties. In vivo studies demonstrated its safety and efficacy in ameliorating skin cancer in a mice model when administered intraperitoneally at 20 mg/kg. Structure-activity relationships were established through in vitro, in vivo, molecular docking, and molecular dynamics analysis. Collectively, these findings highlight 1,4-benzodioxane-hydrazone derivatives as promising scaffold for the development of novel chemotherapeutic agents for skin cancer.
{"title":"Design, synthesis, and evaluation of 1,4-benzodioxane-hydrazone derivatives as potential therapeutics for skin cancer: In silico, in vitro, and in vivo studies","authors":"Saleem Akbar , Tushar Setia , Subham Das , Shalini Kumari , Sk Batin Rahaman , Mohd Wasim , Bahar Ahmed , Rikeshwer Prasad Dewangan","doi":"10.1016/j.bioorg.2025.108449","DOIUrl":"10.1016/j.bioorg.2025.108449","url":null,"abstract":"<div><div>In the pursuit of novel chemotherapeutic agents for skin cancer, we synthesized a series of 1,4-benzodioxane-hydrazone derivatives <strong>(7a–l)</strong> using the Wolff-Kishner reaction. These compounds were initially screened against the NCI-60 oncological cell lines in a one-dose assay at 10 μM. Among them, compound <strong>7e</strong> emerged as a potent inhibitor of cancer cell growth across 56 cell lines, with an average GI<sub>50</sub> of 6.92 μM. Notably, it exhibited enhanced efficacy in melanoma cell lines, including MDA-MB-435, M14, SK-MEL-2, and UACC-62, with GI<sub>50</sub> values of 0.20, 0.46, 0.57, and 0.27 μM, respectively. Apoptosis assay and cell cycle analysis studies revealed that compound <strong>7e</strong> induced apoptosis and caused S-phase arrest in MDA-MB-435 cells. Furthermore, an <em>in vitro</em> enzyme inhibition assay against mTOR kinase yielded an IC<sub>50</sub> of 5.47 μM, while molecular docking studies of compound <strong>7e</strong> (docking score: −8.105 kcal/mol) supported its binding affinity. Compound <strong>7e</strong> adhered to Lipinski's rule of five and displayed favourable ADMET properties. <em>In vivo</em> studies demonstrated its safety and efficacy in ameliorating skin cancer in a mice model when administered intraperitoneally at 20 mg/kg. Structure-activity relationships were established through <em>in vitro</em>, <em>in vivo</em>, molecular docking, and molecular dynamics analysis. Collectively, these findings highlight 1,4-benzodioxane-hydrazone derivatives as promising scaffold for the development of novel chemotherapeutic agents for skin cancer.</div></div>","PeriodicalId":257,"journal":{"name":"Bioorganic Chemistry","volume":"160 ","pages":""},"PeriodicalIF":4.5,"publicationDate":"2025-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143823306","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-04-13DOI: 10.1016/j.molstruc.2025.142287
Kavinkumar Ravikumar, Milind Shrinivas Dangate
Imidazole and thiazole functionalities are crucial in designing blue-emitting materials, serving as electron-donating and electron-accepting groups. Two novel heterocyclic compounds, Benz and Phenz, were synthesized using the Radiszewski synthetic method, a metal-free approach. This design enhances hole and electron transport, carrier injection, and mobility, essential for optoelectronic applications. Highly functionalized imidazole and thiazole cores were developed through a mild condensation reaction between 4-methylthiazole derivatives and imidazole, benzimidazole, or phenanthroimidazole precursors, enabling regioselective synthesis with high yields and environmentally friendly reaction conditions. The synthesized molecules showed strong thermal stability and intense fluorescence in the 350–450 nm range, making them potential blue light-emitting applications. They also showed significant positive solvatochromic activity, indicating the influence of the solvent environment on their optical properties. Theoretical studies confirmed the experimental findings, with Benz showing a hyperpolarizability is 77.12×10−30 esu, which is approximately 207 times greater than that of urea 0.37289×10−30 esu.The calculated static first-order hyperpolarizability of the compound Phenz is 58.06×10−30 esu, which is approximately 150 times greater than that of urea 0.37289×10−30 esu. This enhancement in polarizability is due to extended conjugation, suggesting potential in non-linear optical applications and optoelectronic devices. These findings underscore the importance of rational molecular design in developing high-performance materials for emerging technologies.
{"title":"Imidazole and thiazole derivatives: Synthesis, characterization, and nonlinear optical properties","authors":"Kavinkumar Ravikumar, Milind Shrinivas Dangate","doi":"10.1016/j.molstruc.2025.142287","DOIUrl":"10.1016/j.molstruc.2025.142287","url":null,"abstract":"<div><div>Imidazole and thiazole functionalities are crucial in designing blue-emitting materials, serving as electron-donating and electron-accepting groups. Two novel heterocyclic compounds, Benz and Phenz, were synthesized using the Radiszewski synthetic method, a metal-free approach. This design enhances hole and electron transport, carrier injection, and mobility, essential for optoelectronic applications. Highly functionalized imidazole and thiazole cores were developed through a mild condensation reaction between 4-methylthiazole derivatives and imidazole, benzimidazole, or phenanthroimidazole precursors, enabling regioselective synthesis with high yields and environmentally friendly reaction conditions. The synthesized molecules showed strong thermal stability and intense fluorescence in the 350–450 nm range, making them potential blue light-emitting applications. They also showed significant positive solvatochromic activity, indicating the influence of the solvent environment on their optical properties. Theoretical studies confirmed the experimental findings, with Benz showing a hyperpolarizability is 77.12×10<sup>−30</sup> esu, which is approximately 207 times greater than that of urea 0.37289×10<sup>−30</sup> esu.The calculated static first-order hyperpolarizability of the compound Phenz is 58.06×10<sup>−30</sup> esu, which is approximately 150 times greater than that of urea 0.37289×10<sup>−30</sup> esu. This enhancement in polarizability is due to extended conjugation, suggesting potential in non-linear optical applications and optoelectronic devices. These findings underscore the importance of rational molecular design in developing high-performance materials for emerging technologies.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1338 ","pages":"Article 142287"},"PeriodicalIF":4.0,"publicationDate":"2025-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143824281","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}
1,5-Naphthalene diisocyanate (NDI) has garnered considerable attention in the design of functional materials due to its excellent photophysical properties and corrosion resistance. However, materials synthesized from NDI typically exhibit poor toughness, limiting their broader applications. To overcome these limitations, this study synthesized a polyurea material that combines both high toughness and fluorescence properties by constructing the polymer backbone through the rapid reaction of NDI with amines, followed by covalent cross-linking between hard domains. The material demonstrates a mechanical strength of 24.8 MPa and an ultrahigh toughness of 505.25 MJ/m3. Its exceptional toughness stems from a gradient energy dissipation mechanism, which is governed by the dissociation of strong and weak hydrogen bonds (with bond dissociation energies of 76.64 kJ/mol and 64.89 kJ/mol, respectively) and the decomposition of concentrated hard domains. Additionally, the naphthalene rings in NDI possess a planar rigid conjugated structure, and through covalent cross-linking among hard domains, the nonradiative transition is restricted, and the radiative transition is augmented, thereby enabling the material to exhibit intense and stable blue fluorescence under 365 nm UV lamps. The material can still fluoresce in the presence of a strong acid and a strong base, where the strong base enhances the fluorescence intensity, while the strong acid has the opposite effect. By modifying the form of the urea group surrounding the naphthalene ring, the acid–base effect influences the distribution of the electron cloud of the naphthalene ring and subsequently alters the fluorescence intensity. This study offers a novel concept for preparing NDI-based polyurea materials with high toughness and stable fluorescence properties.
{"title":"A High-Toughness NDI-Based Fluorescent Polyurea Based on Gradient Energy Dissipation","authors":"Pengcheng Li, Hongzhe Zhao, Zelin Liu, Yanqing Wang, Picheng Chen, Yuetao Liu, Fengchen Qiao, Li Ding, Chuanhui Gao","doi":"10.1021/acs.macromol.4c02637","DOIUrl":"https://doi.org/10.1021/acs.macromol.4c02637","url":null,"abstract":"1,5-Naphthalene diisocyanate (NDI) has garnered considerable attention in the design of functional materials due to its excellent photophysical properties and corrosion resistance. However, materials synthesized from NDI typically exhibit poor toughness, limiting their broader applications. To overcome these limitations, this study synthesized a polyurea material that combines both high toughness and fluorescence properties by constructing the polymer backbone through the rapid reaction of NDI with amines, followed by covalent cross-linking between hard domains. The material demonstrates a mechanical strength of 24.8 MPa and an ultrahigh toughness of 505.25 MJ/m<sup>3</sup>. Its exceptional toughness stems from a gradient energy dissipation mechanism, which is governed by the dissociation of strong and weak hydrogen bonds (with bond dissociation energies of 76.64 kJ/mol and 64.89 kJ/mol, respectively) and the decomposition of concentrated hard domains. Additionally, the naphthalene rings in NDI possess a planar rigid conjugated structure, and through covalent cross-linking among hard domains, the nonradiative transition is restricted, and the radiative transition is augmented, thereby enabling the material to exhibit intense and stable blue fluorescence under 365 nm UV lamps. The material can still fluoresce in the presence of a strong acid and a strong base, where the strong base enhances the fluorescence intensity, while the strong acid has the opposite effect. By modifying the form of the urea group surrounding the naphthalene ring, the acid–base effect influences the distribution of the electron cloud of the naphthalene ring and subsequently alters the fluorescence intensity. This study offers a novel concept for preparing NDI-based polyurea materials with high toughness and stable fluorescence properties.","PeriodicalId":51,"journal":{"name":"Macromolecules","volume":"25 1","pages":""},"PeriodicalIF":5.5,"publicationDate":"2025-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143824832","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-04-13DOI: 10.1186/s13065-025-01458-6
Al Amir S. Zaafan, Sayed M. Derayea, Mohamed Oraby, Dalia M. Nagy
A direct, precise, rapid and simple flow injection approach has been applied to determine vilazodone HCl (VZN) in pharmaceutical dosage forms and biological fluids. VZN has an indole ring as part of its structure, which gives it a significant native fluorescence. The study was based on determining the strong intrinsic fluorescence of VZN, which was measured at 486 nm after excitation at 241 nm. Phosphate buffer (pH 5, 10 mM): Acetonitrile (40:60, v/v) was utilized as the carrier solution, with a flow rate of 0.5 mL min− 1. Based on peak area, the calibration graph was linear over a concentration range of 10–300 ng mL− 1 of VZN with a correlation coefficient (r) of 0.9999. The quantitation limit was 9.62 ng mL− 1, while the detection limit was 3.17 ng mL− 1. Moreover, the suggested method was used to accurately measure VZN in its tablet dosage form. Additionally, the studied drug was also satisfactorily measured in blood using the suggested flow injection methodology. The approach was validated according to ICH specifications.
{"title":"Development and validation of a novel fluorometric approach utilizing flow injection analysis for the measurement of vilazodone: application to dosage form and spiked human plasma","authors":"Al Amir S. Zaafan, Sayed M. Derayea, Mohamed Oraby, Dalia M. Nagy","doi":"10.1186/s13065-025-01458-6","DOIUrl":"10.1186/s13065-025-01458-6","url":null,"abstract":"<div><p>A direct, precise, rapid and simple flow injection approach has been applied to determine vilazodone HCl (VZN) in pharmaceutical dosage forms and biological fluids. VZN has an indole ring as part of its structure, which gives it a significant native fluorescence. The study was based on determining the strong intrinsic fluorescence of VZN, which was measured at 486 nm after excitation at 241 nm. Phosphate buffer (pH 5, 10 mM): Acetonitrile (40:60, v/v) was utilized as the carrier solution, with a flow rate of 0.5 mL min<sup>− 1</sup>. Based on peak area, the calibration graph was linear over a concentration range of 10–300 ng mL<sup>− 1</sup> of VZN with a correlation coefficient (r) of 0.9999. The quantitation limit was 9.62 ng mL<sup>− 1</sup>, while the detection limit was 3.17 ng mL<sup>− 1</sup>. Moreover, the suggested method was used to accurately measure VZN in its tablet dosage form. Additionally, the studied drug was also satisfactorily measured in blood using the suggested flow injection methodology. The approach was validated according to ICH specifications.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01458-6","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143826584","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-04-13DOI: 10.1016/j.polymdegradstab.2025.111340
Leticia Pires , Alice Corfa , Vincent Ladmiral , Sylvain Caillol , Sébastien Roland , Emmanuel Richaud
The thermal stability of fluorosilicones at high temperatures has been investigated with thermogravimetric analysis (TGA) based on their chemical structure (copolymerization and crosslinking), and compounding (incorporation of silica and titanium dioxide particle fillers). This allowed the comparison of thermal degradation kinetics of model samples and commercial fluorosilicones rubbers. Increasing dimethylsiloxane content in copolymers enhances thermal stability, while the presence of vinyl groups accelerates degradation by promoting depolymerization and crosslinking reactions at an earlier stage. In model filled fluorosilicone rubbers (FSR), untreated silica particles were found to destabilize the polymer matrix in the short term, whereas commercial filled FSRs exhibited greater thermal stability due to treated silica surfaces. Additionally, commercial samples crosslinked with DCP mixed with CaCO3 resulted in the highest thermal stability. FTIR transmission analysis of copolymer residues revealed that degradation does not favor the preferential release of any monomer (dimethylsiloxane or trifluoropropylmethylsiloxane). Elemental analysis of a model homopolymer suggested that depolymerization is the dominant degradation mechanism, but side group scissions also contribute to this process.
{"title":"Relationship between structure and thermal stability of fluorosilicones at high temperatures","authors":"Leticia Pires , Alice Corfa , Vincent Ladmiral , Sylvain Caillol , Sébastien Roland , Emmanuel Richaud","doi":"10.1016/j.polymdegradstab.2025.111340","DOIUrl":"10.1016/j.polymdegradstab.2025.111340","url":null,"abstract":"<div><div>The thermal stability of fluorosilicones at high temperatures has been investigated with thermogravimetric analysis (TGA) based on their chemical structure (copolymerization and crosslinking), and compounding (incorporation of silica and titanium dioxide particle fillers). This allowed the comparison of thermal degradation kinetics of model samples and commercial fluorosilicones rubbers. Increasing dimethylsiloxane content in copolymers enhances thermal stability, while the presence of vinyl groups accelerates degradation by promoting depolymerization and crosslinking reactions at an earlier stage. In model filled fluorosilicone rubbers (FSR), untreated silica particles were found to destabilize the polymer matrix in the short term, whereas commercial filled FSRs exhibited greater thermal stability due to treated silica surfaces. Additionally, commercial samples crosslinked with DCP mixed with CaCO<sub>3</sub> resulted in the highest thermal stability. FTIR transmission analysis of copolymer residues revealed that degradation does not favor the preferential release of any monomer (dimethylsiloxane or trifluoropropylmethylsiloxane). Elemental analysis of a model homopolymer suggested that depolymerization is the dominant degradation mechanism, but side group scissions also contribute to this process.</div></div>","PeriodicalId":406,"journal":{"name":"Polymer Degradation and Stability","volume":"238 ","pages":"Article 111340"},"PeriodicalIF":6.3,"publicationDate":"2025-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143823858","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}
Shilajit, a natural substance with ancient medicinal roots, is increasingly used in modern supplements for its purported health benefits. However, there is a lack of comprehensive chemical characterization, particularly regarding inorganic anions. This study addresses this gap by quantifying common inorganic anions in 14 raw Shilajit samples sourced from Iran, India, Nepal, Kyrgyzstan, and Russia, as well as in 6 commercially available supplements from Poland, Russia, and Kyrgyzstan. Using ion chromatography, key anions including chloride, sulphate, nitrate, hydrogen phosphate, and fluoride were analyzed. Results revealed that chloride was the most prevalent anion, with concentrations ranging from 0.102 to 9.496 mg.g− 1 in raw Shilajit samples and up to 0.931 mg.g− 1 in supplements. Sulphate levels were significant, with concentrations up to 12.412 mg.g− 1 in raw Shilajit and 0.854 mg.g− 1 in supplements. Nitrate was detected in lower concentrations, peaking at 9.504 mg.g− 1 in raw Shilajit. Fluoride was quantifiable in only one sample at 0.064 mg.g− 1. The study concludes that Shilajit’s geographical origin significantly influences its anion composition, leading to variability in its potential health effects. These findings highlight the necessity for standardized formulations and stringent quality control measures in Shilajit supplement production to ensure consumer safety and product efficacy.
{"title":"Screening and quantification of inorganic anions in Shilajit and its supplements","authors":"Elham Kamgar, Joanna Zembrzuska, Wiktor Lorenc, Massoud Kaykhaii","doi":"10.1186/s13065-025-01473-7","DOIUrl":"10.1186/s13065-025-01473-7","url":null,"abstract":"<div><p>Shilajit, a natural substance with ancient medicinal roots, is increasingly used in modern supplements for its purported health benefits. However, there is a lack of comprehensive chemical characterization, particularly regarding inorganic anions. This study addresses this gap by quantifying common inorganic anions in 14 raw Shilajit samples sourced from Iran, India, Nepal, Kyrgyzstan, and Russia, as well as in 6 commercially available supplements from Poland, Russia, and Kyrgyzstan. Using ion chromatography, key anions including chloride, sulphate, nitrate, hydrogen phosphate, and fluoride were analyzed. Results revealed that chloride was the most prevalent anion, with concentrations ranging from 0.102 to 9.496 mg.g<sup>− 1</sup> in raw Shilajit samples and up to 0.931 mg.g<sup>− 1</sup> in supplements. Sulphate levels were significant, with concentrations up to 12.412 mg.g<sup>− 1</sup> in raw Shilajit and 0.854 mg.g<sup>− 1</sup> in supplements. Nitrate was detected in lower concentrations, peaking at 9.504 mg.g<sup>− 1</sup> in raw Shilajit. Fluoride was quantifiable in only one sample at 0.064 mg.g<sup>− 1</sup>. The study concludes that Shilajit’s geographical origin significantly influences its anion composition, leading to variability in its potential health effects. These findings highlight the necessity for standardized formulations and stringent quality control measures in Shilajit supplement production to ensure consumer safety and product efficacy.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01473-7","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143826585","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
扫码关注我们
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号