Amit Saha Roy, Sourav Ghosh, Indranil Nath, Sergio Caballero, Albert Escuer, Julia Mayans, Shasank Sekhar Swain
A series of penta-coordinate Cu(II) complexes were synthesised and structurally characterised to explore the relationship between coordinating environment, molecular magnetism, and antibacterial activities. A dinuclear complex, [Cu₂(L₁)₂] (1), derived from an ONNO-coordinated tetradentate ligand (H₂L₁ = N,N′-bis[(3-methoxy-2-hydroxybenzylidene)]ethane-1,2-diamine), and three paramagnetic Cu(II) complexes, [Cu₂(N₃)₂(L₂)₂] (2), [Cu(SCN)(L₂)]ₙ (3), and [Cu(CH₃COO)(L₂)]ₙ (4), stabilised by a tridentate NNO-donor ligand (HL₂ = (E)-1-(pyridin-2-yldiazenyl)naphthalen-2-ol), were isolated. Dinuclear complex 2 features an asymmetric end-on μ₁,₁-azido bridge, whereas 3 and 4 exhibit end-to-end μ₁,₃-thiocyanate/acetate bridges, forming one-dimensional polymeric architectures. Single-crystal X-ray diffraction confirmed their square-pyramidal molecular geometries. Complexes 1 and 4 exhibit field-induced single-molecule magnet (SMM) behaviour, consistent with quasi-isotropic S = ½ Cu(II) centres. All complexes show χMT ≈ 0.4 cm³•mol⁻¹•K⁻¹ with a slight decrease below 10 K. EPR parameters support the existence of mixed orbital character dz²/dx²–y² (gx = 2.23, gy = 2.06, gz = 1.90) (1) and dx²–y² (g∥ = 2.21, g⊥ = 2.06) (4) in the ground states. Molecular docking analyses demonstrated complex 3 has strong binding affinities against four biologically relevant targets: B-DNA (PDB ID: 1BNA), human DNA topoisomerase I (hTOPI, PDB ID: 1SC7), Escherichia coli MenB enzyme (EC-MenB, PDB ID: 3T88), and human serum albumin (HSA, PDB ID: 4LA0), indicating its potential for target-specific activity.
{"title":"Field-induced slow magnetic relaxation, molecular docking and antibacterial studies of quasi-isotropic copper (II) (S = ½) systems stabilised by tetradentate (ONNO) and tridentate (NNO)-donor ligands","authors":"Amit Saha Roy, Sourav Ghosh, Indranil Nath, Sergio Caballero, Albert Escuer, Julia Mayans, Shasank Sekhar Swain","doi":"10.1039/d6dt00119j","DOIUrl":"https://doi.org/10.1039/d6dt00119j","url":null,"abstract":"A series of penta-coordinate Cu(II) complexes were synthesised and structurally characterised to explore the relationship between coordinating environment, molecular magnetism, and antibacterial activities. A dinuclear complex, [Cu₂(L₁)₂] (1), derived from an ONNO-coordinated tetradentate ligand (H₂L₁ = N,N′-bis[(3-methoxy-2-hydroxybenzylidene)]ethane-1,2-diamine), and three paramagnetic Cu(II) complexes, [Cu₂(N₃)₂(L₂)₂] (2), [Cu(SCN)(L₂)]ₙ (3), and [Cu(CH₃COO)(L₂)]ₙ (4), stabilised by a tridentate NNO-donor ligand (HL₂ = (E)-1-(pyridin-2-yldiazenyl)naphthalen-2-ol), were isolated. Dinuclear complex 2 features an asymmetric end-on μ₁,₁-azido bridge, whereas 3 and 4 exhibit end-to-end μ₁,₃-thiocyanate/acetate bridges, forming one-dimensional polymeric architectures. Single-crystal X-ray diffraction confirmed their square-pyramidal molecular geometries. Complexes 1 and 4 exhibit field-induced single-molecule magnet (SMM) behaviour, consistent with quasi-isotropic S = ½ Cu(II) centres. All complexes show χMT ≈ 0.4 cm³•mol⁻¹•K⁻¹ with a slight decrease below 10 K. EPR parameters support the existence of mixed orbital character dz²/dx²–y² (gx = 2.23, gy = 2.06, gz = 1.90) (1) and dx²–y² (g∥ = 2.21, g⊥ = 2.06) (4) in the ground states. Molecular docking analyses demonstrated complex 3 has strong binding affinities against four biologically relevant targets: B-DNA (PDB ID: 1BNA), human DNA topoisomerase I (hTOPI, PDB ID: 1SC7), Escherichia coli MenB enzyme (EC-MenB, PDB ID: 3T88), and human serum albumin (HSA, PDB ID: 4LA0), indicating its potential for target-specific activity.","PeriodicalId":71,"journal":{"name":"Dalton Transactions","volume":"9 1","pages":""},"PeriodicalIF":4.0,"publicationDate":"2026-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146195","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-02-10DOI: 10.1021/acs.inorgchem.5c03850
Rukai Liu, Jie Li, Kun Liu, Nikita Martyushev
Driven by the demand for next-generation gas sensors, this study systematically investigates the impact of molecular adsorption on electronic transport of 2D iodinene-based devices. In equilibrium, adsorption of small molecules has little effect on electron transmission in positive energies but causes suppressed electron transport in negative energies, essentially determined by the relative strength of local electronic rearrangement and adsorption-induced structural relaxation. When in non-equilibrium (the bias exceeds the turn-on voltage of about 1.07 V), Formaldehyde produces the most significant gain of current. At the turn-on voltage, the amplitude of electron transmission is markedly enhanced while the peak position remains stable, indicating that the adsorption amplifies transmission through primary channels and does not introduce adverse level misalignment. In comparison, the enhancement effect on current of methane and CO2-1 is weaker, displaying 0.04 eV shifts and amplitude gains in electron transmission spectrum at peak biases, indicating partial activation of resonant channels and improved level alignment. Differently, CO2-2 and especially toluene would attenuate current. Benzene causes minor electronic rearrangement and limited current adjustment. These findings furnish a theoretical foundation for the rational design of highly selective and sensitive gas sensors applicable to environmental monitoring and industrial safety.
{"title":"Influence of Molecular Adsorption on the Electronic Transport Properties of 2D Iodinene with Sensing Potential","authors":"Rukai Liu, Jie Li, Kun Liu, Nikita Martyushev","doi":"10.1021/acs.inorgchem.5c03850","DOIUrl":"https://doi.org/10.1021/acs.inorgchem.5c03850","url":null,"abstract":"Driven by the demand for next-generation gas sensors, this study systematically investigates the impact of molecular adsorption on electronic transport of 2D iodinene-based devices. In equilibrium, adsorption of small molecules has little effect on electron transmission in positive energies but causes suppressed electron transport in negative energies, essentially determined by the relative strength of local electronic rearrangement and adsorption-induced structural relaxation. When in non-equilibrium (the bias exceeds the turn-on voltage of about 1.07 V), Formaldehyde produces the most significant gain of current. At the turn-on voltage, the amplitude of electron transmission is markedly enhanced while the peak position remains stable, indicating that the adsorption amplifies transmission through primary channels and does not introduce adverse level misalignment. In comparison, the enhancement effect on current of methane and CO<sub>2</sub>-1 is weaker, displaying 0.04 eV shifts and amplitude gains in electron transmission spectrum at peak biases, indicating partial activation of resonant channels and improved level alignment. Differently, CO<sub>2</sub>-2 and especially toluene would attenuate current. Benzene causes minor electronic rearrangement and limited current adjustment. These findings furnish a theoretical foundation for the rational design of highly selective and sensitive gas sensors applicable to environmental monitoring and industrial safety.","PeriodicalId":40,"journal":{"name":"Inorganic Chemistry","volume":"160 1","pages":""},"PeriodicalIF":4.6,"publicationDate":"2026-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146439","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}
Bunsho Ohtani, Michalis Konsolakis, Maria Lykaki, Kimitaka Higuchi, Mai Takashima
The composition of exposed crystalline facets, reflecting the morphology of ceria particles with characteristic shapes, was evaluated quantitatively to obtain their "average" morphology by peak deconvolution of their energy-resolved distribution of electron traps measured by reversed double-beam photoacoustic spectroscopy. Implications in catalysis are discussed based on the facet composition.
{"title":"A Novel Approach to Quantitative Morphology Estimation of Ceria Nanoparticles Based on Their Electron Trap-distribution Patterns and Implications in Catalysis","authors":"Bunsho Ohtani, Michalis Konsolakis, Maria Lykaki, Kimitaka Higuchi, Mai Takashima","doi":"10.1039/d5cp03662c","DOIUrl":"https://doi.org/10.1039/d5cp03662c","url":null,"abstract":"The composition of exposed crystalline facets, reflecting the morphology of ceria particles with characteristic shapes, was evaluated quantitatively to obtain their \"average\" morphology by peak deconvolution of their energy-resolved distribution of electron traps measured by reversed double-beam photoacoustic spectroscopy. Implications in catalysis are discussed based on the facet composition.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"24 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2026-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146522","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Safia Haider, Xiaopeng Sun, Xiao Wu, Kai Wang, Yezhen Chen, Xinchao Dong, Zaijun Lu
The need for thermosetting resins with low dielectric properties and high-heat-resistance has increased due to the miniaturization, high frequency and high integration of electrical and electronic devices. In this work, the hydroxyl groups of the bisphenol A moiety were modified with bulky and low-polarity groups to investigate the structure–property relationship. With a low dielectric constant (Dk) and dielectric loss (Df), this molecular design improved the high-frequency dielectric performance by effectively suppressing orientational polarization. Two different bisphenol A derivatives were converted into novel vinylbenzyl-terminated bisphenol A ethers i.e., vinylbenzyl tetramethyl bisphenol A (V-TMBP) and vinylbenzyl bisphenol A formaldehyde (V-BPF) via Williamson's synthesis. Fourier transform infrared (FT-IR), 1H and 13C nuclear magnetic resonance (NMR) spectroscopy confirmed the chemical structures. FT-IR and differential scanning calorimetry (DSC) were used to investigate the curing behaviours; an exothermic peak representing homopolymerization of terminal vinyl groups was observed. Combining the polymerization conditions and the optimized chemical structure produced a vinylbenzyl bisphenol A formaldehyde resin, having an exceptional dielectric performance with Dk = 2.42, Df = 0.0065 at 10 GHz and a high glass transition temperature (Tg) of 290 °C, and a vinylbenzyl tetramethyl bisphenol A resin with Dk = 2.60, Df = 0.0046 at 10 GHz and a Tg value of 250 °C. In conclusion, the vinylbenzyl bisphenol A formaldehyde resin has several outstanding features making it an excellent choice for use in high-performance fields, including aerospace and advanced microelectronics.
{"title":"A low-dielectric, high-heat-resistant vinylbenzyl-terminated bisphenol A formaldehyde resin","authors":"Safia Haider, Xiaopeng Sun, Xiao Wu, Kai Wang, Yezhen Chen, Xinchao Dong, Zaijun Lu","doi":"10.1039/d5py01064k","DOIUrl":"https://doi.org/10.1039/d5py01064k","url":null,"abstract":"The need for thermosetting resins with low dielectric properties and high-heat-resistance has increased due to the miniaturization, high frequency and high integration of electrical and electronic devices. In this work, the hydroxyl groups of the bisphenol A moiety were modified with bulky and low-polarity groups to investigate the structure–property relationship. With a low dielectric constant (<em>D</em><small><sub>k</sub></small>) and dielectric loss (<em>D</em><small><sub>f</sub></small>), this molecular design improved the high-frequency dielectric performance by effectively suppressing orientational polarization. Two different bisphenol A derivatives were converted into novel vinylbenzyl-terminated bisphenol A ethers <em>i.e.</em>, vinylbenzyl tetramethyl bisphenol A (V-TMBP) and vinylbenzyl bisphenol A formaldehyde (V-BPF) <em>via</em> Williamson's synthesis. Fourier transform infrared (FT-IR), <small><sup>1</sup></small>H and <small><sup>13</sup></small>C nuclear magnetic resonance (NMR) spectroscopy confirmed the chemical structures. FT-IR and differential scanning calorimetry (DSC) were used to investigate the curing behaviours; an exothermic peak representing homopolymerization of terminal vinyl groups was observed. Combining the polymerization conditions and the optimized chemical structure produced a vinylbenzyl bisphenol A formaldehyde resin, having an exceptional dielectric performance with <em>D</em><small><sub>k</sub></small> = 2.42, <em>D</em><small><sub>f</sub></small> = 0.0065 at 10 GHz and a high glass transition temperature (<em>T</em><small><sub>g</sub></small>) of 290 °C, and a vinylbenzyl tetramethyl bisphenol A resin with <em>D</em><small><sub>k</sub></small> = 2.60, <em>D</em><small><sub>f</sub></small> = 0.0046 at 10 GHz and a <em>T</em><small><sub>g</sub></small> value of 250 °C. In conclusion, the vinylbenzyl bisphenol A formaldehyde resin has several outstanding features making it an excellent choice for use in high-performance fields, including aerospace and advanced microelectronics.","PeriodicalId":100,"journal":{"name":"Polymer Chemistry","volume":"73 1","pages":""},"PeriodicalIF":4.6,"publicationDate":"2026-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146406","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}
Dust pollution threatens ecological stability and human health, but conventional suppressants suffer from short durability, high water demand, and toxicity. This study developed a bio-inspired bacterial/sodium alginate (SA) hydrogel (BSH) dust suppressant composed of Bacillus mucilaginosus (B.m), SA, and NaHCO3. Its application uses a two-step process: first spraying BSH for physical dust adhesion and then CaCl2 to supply Ca2+ ions. Carbonic anhydrase secreted by B.m catalyzes the hydration of ambient CO2 into CO32–, which reacts with Ca2+ to form CaCO3; NaHCO3 further enhances CO32– availability, promoting stable calcite and dust matrix consolidation. The BSH exhibits favorable interfacial properties: a low surface tension of 31 mN/m and strong wettability, with a contact angle of 60°. The hydrogel suppressant achieves a dust suppression efficiency of up to 99.76%, outperforming conventional formulations, and maintains >95% efficiency over a 7 day wind erosion trial, alongside superior water retention. This scalable, biodegradable hydrogel enables long-term dust mitigation and synergizes with greenhouse gas sequestration, shifting the paradigm from passive dust control to climate-friendly environmental management.
{"title":"Bio-inspired Bacterial/Sodium Alginate Hydrogel Dust Suppressant with Strong Consolidation and High Water Retention","authors":"Muze Han, Jiayi Li, Jinjing Liu, Ronghua Yu, Yifu Zhu, Yujie Huang, Kunkun Tu, Shihang Li","doi":"10.1021/acssuschemeng.5c11952","DOIUrl":"https://doi.org/10.1021/acssuschemeng.5c11952","url":null,"abstract":"Dust pollution threatens ecological stability and human health, but conventional suppressants suffer from short durability, high water demand, and toxicity. This study developed a bio-inspired bacterial/sodium alginate (SA) hydrogel (BSH) dust suppressant composed of <i>Bacillus mucilaginosus</i> (B.m), SA, and NaHCO<sub>3</sub>. Its application uses a two-step process: first spraying BSH for physical dust adhesion and then CaCl<sub>2</sub> to supply Ca<sup>2+</sup> ions. Carbonic anhydrase secreted by B.m catalyzes the hydration of ambient CO<sub>2</sub> into CO<sub>3</sub><sup>2–</sup>, which reacts with Ca<sup>2+</sup> to form CaCO<sub>3</sub>; NaHCO<sub>3</sub> further enhances CO<sub>3</sub><sup>2–</sup> availability, promoting stable calcite and dust matrix consolidation. The BSH exhibits favorable interfacial properties: a low surface tension of 31 mN/m and strong wettability, with a contact angle of 60°. The hydrogel suppressant achieves a dust suppression efficiency of up to 99.76%, outperforming conventional formulations, and maintains >95% efficiency over a 7 day wind erosion trial, alongside superior water retention. This scalable, biodegradable hydrogel enables long-term dust mitigation and synergizes with greenhouse gas sequestration, shifting the paradigm from passive dust control to climate-friendly environmental management.","PeriodicalId":25,"journal":{"name":"ACS Sustainable Chemistry & Engineering","volume":"133 1","pages":""},"PeriodicalIF":8.4,"publicationDate":"2026-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146457","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}
Cyclic peptides represent a privileged class of scaffolds in drug discovery owing to their unique balance between structural rigidity and functional diversity. Herein, we disclose an indium(III)-catalyzed intramolecular dithiane-alkyne metathesis (DAM) that facilitates the efficient construction of Trp(C2)-alkene-cross-linked cyclic peptides with exclusive E-selectivity. This protocol directly transforms linear peptide precursors into diverse macrocycles with broad substrate scope, high atom economy, and operational simplicity. These features establish DAM as a mechanistically distinct and practical peptide stapling strategy.
{"title":"Dithiane-Alkyne Metathesis Enables Trp(C2)-Alkene-Cross-Linked Cyclic Peptides","authors":"Liang Li, Xiaomeng Gong, Guohong Tang, Yingying Xue, Zhuzhu Zhang, Rui-Peng Li, Shouchu Tang","doi":"10.1021/acs.orglett.6c00101","DOIUrl":"https://doi.org/10.1021/acs.orglett.6c00101","url":null,"abstract":"Cyclic peptides represent a privileged class of scaffolds in drug discovery owing to their unique balance between structural rigidity and functional diversity. Herein, we disclose an indium(III)-catalyzed intramolecular dithiane-alkyne metathesis (DAM) that facilitates the efficient construction of Trp(C2)-alkene-cross-linked cyclic peptides with exclusive <i>E</i>-selectivity. This protocol directly transforms linear peptide precursors into diverse macrocycles with broad substrate scope, high atom economy, and operational simplicity. These features establish DAM as a mechanistically distinct and practical peptide stapling strategy.","PeriodicalId":54,"journal":{"name":"Organic Letters","volume":"39 1","pages":""},"PeriodicalIF":5.2,"publicationDate":"2026-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146538","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}
Axially chiral three-dimensional nanographenes (3D NGs) represent promising scaffolds for chiral optoelectronic materials, yet their direct synthesis remains challenging because of the oxidative fragility of π-extended arenes. Here we report a metal-free, visible light-induced oxidative C–H/C–H biaryl coupling of polycyclic aromatic hydrocarbons mediated by a Brønsted acid and O2. The reaction efficiently converts π-extended arenols, including fluoranthene derivatives, into structurally diverse axially chiral 3D NGs without overoxidation. Mechanistic studies reveal that self-induced charge transfer (CT) complexation between protonated and neutral arenols triggers photoinduced formation of radical cations, as supported by UV–vis, ESR and DFT analyses. The obtained axially chiral 3D NGs exhibit high configurational stability and photophysical features rationalized by TD-DFT calculations. This strategy establishes a general platform for constructing axially chiral 3D NGs from π-extended arenols under metal-free conditions.
{"title":"Self-Induced Charge Transfer Activation Enables Metal-Free C–H Coupling of Polycyclic Aromatic Hydrocarbons under Photo Irradiation","authors":"Kazuma Kurokawa, Aki Kohyama, Yusuke Kuroda, Keisuke Tao-Kakuyama, Hiroshi Takikawa, Kiyosei Takasu","doi":"10.1039/d5sc09144f","DOIUrl":"https://doi.org/10.1039/d5sc09144f","url":null,"abstract":"Axially chiral three-dimensional nanographenes (3D NGs) represent promising scaffolds for chiral optoelectronic materials, yet their direct synthesis remains challenging because of the oxidative fragility of π-extended arenes. Here we report a metal-free, visible light-induced oxidative C–H/C–H biaryl coupling of polycyclic aromatic hydrocarbons mediated by a Brønsted acid and O<small><sub>2</sub></small>. The reaction efficiently converts π-extended arenols, including fluoranthene derivatives, into structurally diverse axially chiral 3D NGs without overoxidation. Mechanistic studies reveal that self-induced charge transfer (CT) complexation between protonated and neutral arenols triggers photoinduced formation of radical cations, as supported by UV–vis, ESR and DFT analyses. The obtained axially chiral 3D NGs exhibit high configurational stability and photophysical features rationalized by TD-DFT calculations. This strategy establishes a general platform for constructing axially chiral 3D NGs from π-extended arenols under metal-free conditions.","PeriodicalId":9909,"journal":{"name":"Chemical Science","volume":"314 1","pages":""},"PeriodicalIF":8.4,"publicationDate":"2026-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146004","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 : 2026-02-10DOI: 10.1016/j.radphyschem.2026.113702
Fereshte Saheli, Luka Pasariček, Marija Majer
Due to its close relationship with Relative Biological Effectiveness (RBE), accurate determination of average Linear Energy Transfer (LET) distribution is of high importance in radiation therapy.
{"title":"Multi-Parameter Comparison of LET Distribution Calculations in Proton Beams Using Geant4 and PHITS","authors":"Fereshte Saheli, Luka Pasariček, Marija Majer","doi":"10.1016/j.radphyschem.2026.113702","DOIUrl":"https://doi.org/10.1016/j.radphyschem.2026.113702","url":null,"abstract":"Due to its close relationship with Relative Biological Effectiveness (RBE), accurate determination of average Linear Energy Transfer (LET) distribution is of high importance in radiation therapy.","PeriodicalId":20861,"journal":{"name":"Radiation Physics and Chemistry","volume":"5 1","pages":""},"PeriodicalIF":2.9,"publicationDate":"2026-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146242","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-02-10DOI: 10.1016/j.radphyschem.2026.113696
Arícia Ravane Pereira da Cruz, Lucas Delbem Albino, Ernesto Roesler, Claudio C. B. Viegas, Gabriel Henrique Rocha Barreto de França, Josemary Angélica Corrêa Gonçalves, Carmen Cecília Bueno, Vinícius Saito Monteiro de Barros, Viviane Khoury Asfora
In radiotherapy practice, external dosimetry audits represent a valuable tool for identifying systematic errors, improving the quality and safety of treatments, and ensuring consistency in clinical dosimetry procedures. Despite their proven importance, many radiotherapy centers are still unable to access these audits, especially in resource-constrained settings. With this in mind, the present study aimed to validate an independent postal dosimetry audit service for photon radiotherapy, currently being developed at the Department of Nuclear Energy of Federal University of Pernambuco (DEN/UFPE), using alanine-EPR dosimeters. The proposed system features a structure designed to support six dosimeter holders simultaneously, allowing the evaluation of central-axis and off-axis dose, as well as quality index, flatness and symmetry of photon beams generated by linear accelerators. The system’s performance was assessed by comparing measurements from the DEN/UFPE QA setup with results from the TLD-based dosimetry audit program of the Brazilian National Cancer Institute (PQRT/INCA) and with reference data obtained using a PTW 30013 ionization chamber under identical irradiation conditions. The interlaboratory comparison results demonstrated agreement among the systems, with dose deviations relative to the ionization chamber not exceeding 2.0% for the DEN/UFPE system and 1.9% for the PQRT/INCA system. Therefore, these findings provide robust evidence supporting the reliability, accuracy, and overall effectiveness of the proposed alanine-based postal dosimetry audit system, confirming its suitability for clinical implementation.
{"title":"Validation of an alanine-based postal dosimetry audit system for radiotherapy quality assurance","authors":"Arícia Ravane Pereira da Cruz, Lucas Delbem Albino, Ernesto Roesler, Claudio C. B. Viegas, Gabriel Henrique Rocha Barreto de França, Josemary Angélica Corrêa Gonçalves, Carmen Cecília Bueno, Vinícius Saito Monteiro de Barros, Viviane Khoury Asfora","doi":"10.1016/j.radphyschem.2026.113696","DOIUrl":"https://doi.org/10.1016/j.radphyschem.2026.113696","url":null,"abstract":"In radiotherapy practice, external dosimetry audits represent a valuable tool for identifying systematic errors, improving the quality and safety of treatments, and ensuring consistency in clinical dosimetry procedures. Despite their proven importance, many radiotherapy centers are still unable to access these audits, especially in resource-constrained settings. With this in mind, the present study aimed to validate an independent postal dosimetry audit service for photon radiotherapy, currently being developed at the Department of Nuclear Energy of Federal University of Pernambuco (DEN/UFPE), using alanine-EPR dosimeters. The proposed system features a structure designed to support six dosimeter holders simultaneously, allowing the evaluation of central-axis and off-axis dose, as well as quality index, flatness and symmetry of photon beams generated by linear accelerators. The system’s performance was assessed by comparing measurements from the DEN/UFPE QA setup with results from the TLD-based dosimetry audit program of the Brazilian National Cancer Institute (PQRT/INCA) and with reference data obtained using a PTW 30013 ionization chamber under identical irradiation conditions. The interlaboratory comparison results demonstrated agreement among the systems, with dose deviations relative to the ionization chamber not exceeding 2.0% for the DEN/UFPE system and 1.9% for the PQRT/INCA system. Therefore, these findings provide robust evidence supporting the reliability, accuracy, and overall effectiveness of the proposed alanine-based postal dosimetry audit system, confirming its suitability for clinical implementation.","PeriodicalId":20861,"journal":{"name":"Radiation Physics and Chemistry","volume":"9 1","pages":""},"PeriodicalIF":2.9,"publicationDate":"2026-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146247","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-02-10DOI: 10.1021/acssuschemeng.5c12647
Hampus Johansson, Liam Mistry, Ahilan Manisekaran, Henrik Sarge, Anette Larsson, Li-Yang Liu, Merima Hasani, Hans Theliander
The LignoBoost process enables efficient isolation of high-purity lignin from black liquor; however, lignin colloidal behavior during the acidic washing step strongly influences the filtration performance, and the impacts of temperature remain insufficiently understood. In this study, Kraft lignin suspensions were thermally treated at 75 °C, 85 °C, and 95 °C to evaluate their effects on volumetric flow rate during filtration and on lignin physicochemical properties. Thermal treatment at 85 °C yields the optimal filtration efficiency, with the volumetric flow rate increasing by 11-fold (lignin A) and 19-fold (Lignin B) compared to the control group. Particle size analysis revealed clear lignin particle growth after heating treatment, which was accompanied by a decrease in smaller particles. Beyond physical noncovalent interactions, chemical contributions to particle growth were elucidated by analyzing radical concentration, molar mass, and structural features. Radical concentrations decreased significantly, accompanied by increased condensation and reduced ester linkages in the recovered lignin. The molar mass changed slightly. Despite these changes, the overall functional group content (methoxy, aliphatic hydroxyl groups, and aromatic hydroxyl groups) and glass transition temperature remained largely unchanged. This work elucidates the interactive effects of heating treatment on lignin structure and recovery performance, providing a mechanistic understanding to optimize kraft lignin separation and thereby promote its subsequent valorization.
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