Pub Date : 2026-03-01Epub Date: 2026-01-15DOI: 10.1016/j.rechem.2026.103071
Bingxue Wen , Ziwen Wu , YanHua Yuan , Gang Wang , Bohan Gu , Zhiqin Geng , Xin Huang
Long-term exposure to aromatic volatile organic compounds (VOCs) will create a lot of damage in the body, making their efficient collection and highly sensitive detection a crucial task. Herein, we developed a flexible surface-enhanced Raman scattering (SERS) substrate by loading gold nanoparticle multimers onto oil blotting paper (Au NPs-OBP) for the highly sensitive detection of aromatic VOCs. Leveraging a hydrophobic surface and similarity compatibility principle, the substrate facilitates efficient adsorption of trace aromatic VOCs from human skin. The coagulation of the OBP further causes tight aggregation of Au NPs, anchoring them firmly to the fibers and generating dense hot spots for SERS enhancement. The Au NPs-OBP substrate confirms high sensitivity, with limits of detection (LOD) of 4.628 × 10−11 M and 9.422 × 10−9 M for Rhodamine 6G (R6G) and p-nitrophenol (4-NP), respectively. Finite difference time domain (FDTD) simulations demonstrated that the substrate possesses a homogeneous high local electromagnetic field. Excellent reproducibility was achieved across randomly selected spots on the same substrate and among substrates from different batches. The LOD for catechol was found to be 6.657 × 10−12 M, and the recovery rate improved further, varying between 89.26% and 97.09%. These results indicate that the Au NPs-OBP substrate is a promising platform for the highly sensitive detection of the aromatic VOCs.
{"title":"A flexible SERS substrate for highly sensitive detection of aromatic volatile organic compounds","authors":"Bingxue Wen , Ziwen Wu , YanHua Yuan , Gang Wang , Bohan Gu , Zhiqin Geng , Xin Huang","doi":"10.1016/j.rechem.2026.103071","DOIUrl":"10.1016/j.rechem.2026.103071","url":null,"abstract":"<div><div>Long-term exposure to aromatic volatile organic compounds (VOCs) will create a lot of damage in the body, making their efficient collection and highly sensitive detection a crucial task. Herein, we developed a flexible surface-enhanced Raman scattering (SERS) substrate by loading gold nanoparticle multimers onto oil blotting paper (Au NPs-OBP) for the highly sensitive detection of aromatic VOCs. Leveraging a hydrophobic surface and similarity compatibility principle, the substrate facilitates efficient adsorption of trace aromatic VOCs from human skin. The coagulation of the OBP further causes tight aggregation of Au NPs, anchoring them firmly to the fibers and generating dense hot spots for SERS enhancement. The Au NPs-OBP substrate confirms high sensitivity, with limits of detection (LOD) of 4.628 × 10<sup>−11</sup> M and 9.422 × 10<sup>−9</sup> M for Rhodamine 6G (R6G) and p-nitrophenol (4-NP), respectively. Finite difference time domain (FDTD) simulations demonstrated that the substrate possesses a homogeneous high local electromagnetic field. Excellent reproducibility was achieved across randomly selected spots on the same substrate and among substrates from different batches. The LOD for catechol was found to be 6.657 × 10<sup>−12</sup> M, and the recovery rate improved further, varying between 89.26% and 97.09%. These results indicate that the Au NPs-OBP substrate is a promising platform for the highly sensitive detection of the aromatic VOCs.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"21 ","pages":"Article 103071"},"PeriodicalIF":4.2,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146036360","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-03-01Epub Date: 2026-01-30DOI: 10.1016/j.rechem.2026.103084
Amit Saraswat, Anuj Kumar
{"title":"Corrigendum to “Modulating electronic properties of MoS2 via Sn-doping for efficient Electrocatalytic water splitting” [Results Chem. 20 (2026) 103063]","authors":"Amit Saraswat, Anuj Kumar","doi":"10.1016/j.rechem.2026.103084","DOIUrl":"10.1016/j.rechem.2026.103084","url":null,"abstract":"","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"21 ","pages":"Article 103084"},"PeriodicalIF":4.2,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147398689","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-03-01Epub Date: 2026-01-30DOI: 10.1016/j.rechem.2026.103100
Jingli Zhang , Shenghu Liu , Lulu Sun, Chang Liu, Yuzhou Chen, Yang Liu
Decoction, a classic dosage form of Traditional Chinese Medicine (TCM), has been employed since the era of Yi Yin. The inherently complex composition of individual herbal medicines, coupled with interactions among constituents during co-decoction, results in an exceedingly complicated chemical profile of decoctions. This complexity renders the elucidation of their material basis and pharmacological mechanisms a central challenge in the modernization of TCM. Mass spectrometry (MS), owing to its high sensitivity and resolution, has emerged as a pivotal technique for deciphering the material basis of decoctions. This review provides an overview of MS and its commonly hyphenated techniques. It systematically summarizes key applications of MS in decoction research, encompassing: 1) decoction process studies (including decoction method investigation and self-assembled nanoparticle research); 2) quality control aspects (including fingerprinting, quality marker identification, and consistency evaluation between decoctions and formula granules); and 3) research on pharmacologically active substances (including spectrum-effect relationship, network pharmacology, metabolomics, pharmacokinetics, serum pharmacochemistry and serum pharmacology, and Chinmedomics studies). This review aims to provide a reference for future research and development of TCM decoctions. Green Analytical Chemistry (GAC) and White Analytical Chemistry (WAC), as forefront paradigms in analytical science, emphasize environmental friendliness and comprehensive practical utility, respectively. Furthermore, this review assesses the applications of MS in decoction studies from the perspectives of greenness and whiteness, thereby offering robust support for the sustainable promotion and standardized application of MS technologies in this field.
{"title":"Application of mass spectrometry in the study of the material basis of Chinese herbal decoctions","authors":"Jingli Zhang , Shenghu Liu , Lulu Sun, Chang Liu, Yuzhou Chen, Yang Liu","doi":"10.1016/j.rechem.2026.103100","DOIUrl":"10.1016/j.rechem.2026.103100","url":null,"abstract":"<div><div>Decoction, a classic dosage form of Traditional Chinese Medicine (TCM), has been employed since the era of Yi Yin. The inherently complex composition of individual herbal medicines, coupled with interactions among constituents during co-decoction, results in an exceedingly complicated chemical profile of decoctions. This complexity renders the elucidation of their material basis and pharmacological mechanisms a central challenge in the modernization of TCM. Mass spectrometry (MS), owing to its high sensitivity and resolution, has emerged as a pivotal technique for deciphering the material basis of decoctions. This review provides an overview of MS and its commonly hyphenated techniques. It systematically summarizes key applications of MS in decoction research, encompassing: 1) decoction process studies (including decoction method investigation and self-assembled nanoparticle research); 2) quality control aspects (including fingerprinting, quality marker identification, and consistency evaluation between decoctions and formula granules); and 3) research on pharmacologically active substances (including spectrum-effect relationship, network pharmacology, metabolomics, pharmacokinetics, serum pharmacochemistry and serum pharmacology, and Chinmedomics studies). This review aims to provide a reference for future research and development of TCM decoctions. Green Analytical Chemistry (GAC) and White Analytical Chemistry (WAC), as forefront paradigms in analytical science, emphasize environmental friendliness and comprehensive practical utility, respectively. Furthermore, this review assesses the applications of MS in decoction studies from the perspectives of greenness and whiteness, thereby offering robust support for the sustainable promotion and standardized application of MS technologies in this field.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"21 ","pages":"Article 103100"},"PeriodicalIF":4.2,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147398696","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-03-01Epub Date: 2026-01-20DOI: 10.1016/j.rechem.2026.103079
Zhanshou Yang , Fafeng Xu , Yuhong Li , Zhengrong Niu , Bo Li , Haitao Feng , Jinbo Zeng , Keli Yang , Honghui Liu
Lithium-ion batteries (LIBs) are widely used in new energy vehicles, portable electronic products and power batteries owing to their high open-circuit voltage, high specific energy and low self-discharge rate. The embedded graphite anodes of LIBs have a low theoretical specific capacity and cannot meet the requirements of high-energy-density electronic devices. Herein, an Al–Mg–Cu–Si–Sn alloy was first prepared via melting, and a Cu2+1O/Cu/Si composite was subsequently synthesized via de-alloying. Furthermore, the composite was coated with carbon to obtain Cu2+1O/Cu/Si@C—an LIB anode material exhibiting a high energy density. The physical phase, microstructure and lithium-storage performance of the de-embedded Cu2+1O/Cu/Si@C anode material were analyzed via characterization methods such as X-ray diffraction, scanning electron microscopy–energy-dispersive X-ray spectroscopy (EDS), transmission electron microscopy–EDS and electrochemical analysis. The anode material exhibited a specific capacity of 995.6 mAh/g, a first-time Coulombic efficiency of 75.5%, a specific capacity of 604.4 mAh/g after 500 charge/discharge cycles and good multiplicative rate performance at current densities of <1C.
锂离子电池具有开路电压高、比能量高、自放电率低等特点,广泛应用于新能源汽车、便携式电子产品和动力电池等领域。嵌入式锂离子电池的石墨阳极理论比容量较低,不能满足高能量密度电子器件的要求。首先通过熔融法制备了Al-Mg-Cu-Si-Sn合金,然后通过脱合金法制备了Cu2+ o /Cu/Si复合材料。在复合材料表面包覆碳,得到Cu2+ 10o /Cu/Si@C -一种能量密度高的锂离子电池负极材料。采用x射线衍射、扫描电子显微镜-能谱仪(EDS)、透射电子显微镜-能谱仪(EDS)和电化学分析等表征方法对脱嵌Cu2+ 10 /Cu/Si@C负极材料的物相、微观结构和储锂性能进行了分析。阳极材料的比容量为995.6 mAh/g,首次库仑效率为75.5%,500次充放电循环后的比容量为604.4 mAh/g,在1C电流密度下具有良好的倍率性能。
{"title":"Performance evaluation of a de-embedded de-alloyed Cu2+1O/cu/Si@C anode material used in lithium-ion batteries","authors":"Zhanshou Yang , Fafeng Xu , Yuhong Li , Zhengrong Niu , Bo Li , Haitao Feng , Jinbo Zeng , Keli Yang , Honghui Liu","doi":"10.1016/j.rechem.2026.103079","DOIUrl":"10.1016/j.rechem.2026.103079","url":null,"abstract":"<div><div>Lithium-ion batteries (LIBs) are widely used in new energy vehicles, portable electronic products and power batteries owing to their high open-circuit voltage, high specific energy and low self-discharge rate. The embedded graphite anodes of LIBs have a low theoretical specific capacity and cannot meet the requirements of high-energy-density electronic devices. Herein, an Al–Mg–Cu–Si–Sn alloy was first prepared via melting, and a Cu<sub>2+1</sub>O/Cu/Si composite was subsequently synthesized via de-alloying. Furthermore, the composite was coated with carbon to obtain Cu<sub>2+1</sub>O/Cu/Si@C—an LIB anode material exhibiting a high energy density. The physical phase, microstructure and lithium-storage performance of the de-embedded Cu<sub>2+1</sub>O/Cu/Si@C anode material were analyzed via characterization methods such as X-ray diffraction, scanning electron microscopy–energy-dispersive X-ray spectroscopy (EDS), transmission electron microscopy–EDS and electrochemical analysis. The anode material exhibited a specific capacity of 995.6 mAh/g, a first-time Coulombic efficiency of 75.5%, a specific capacity of 604.4 mAh/g after 500 charge/discharge cycles and good multiplicative rate performance at current densities of <1C.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"21 ","pages":"Article 103079"},"PeriodicalIF":4.2,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146036352","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-03-01Epub Date: 2026-01-13DOI: 10.1016/j.rechem.2026.103064
Alireza Banan
Covalent post-synthetic modification (PSM) represents a robust and irreversible strategy for precisely engineering the chemical functionality of metal–organic frameworks (MOFs) without compromising their structural integrity or porosity. This review surveys recent developments in covalent PSM approaches that enhance catalytic performance by introducing diverse functional groups—such as amines, carboxylic acids, sulfonic acids, phosphonic acids, imines, and guanidines—onto MOF organic linkers. These modifications enable fine-tuning of active site distribution, electronic environments, and acid–base properties, thereby facilitating cooperative and multifunctional catalysis. Through detailed analysis of structure–activity relationships and representative catalytic systems, covalent PSM is established as a powerful strategy for designing efficient, selective, and recyclable MOF-based heterogeneous catalysts applicable to a broad range of organic transformations.
{"title":"Covalent post-synthetic modification of metal-organic frameworks: A strategy for designing heterogeneous catalysts","authors":"Alireza Banan","doi":"10.1016/j.rechem.2026.103064","DOIUrl":"10.1016/j.rechem.2026.103064","url":null,"abstract":"<div><div>Covalent post-synthetic modification (PSM) represents a robust and irreversible strategy for precisely engineering the chemical functionality of metal–organic frameworks (MOFs) without compromising their structural integrity or porosity. This review surveys recent developments in covalent PSM approaches that enhance catalytic performance by introducing diverse functional groups—such as amines, carboxylic acids, sulfonic acids, phosphonic acids, imines, and guanidines—onto MOF organic linkers. These modifications enable fine-tuning of active site distribution, electronic environments, and acid–base properties, thereby facilitating cooperative and multifunctional catalysis. Through detailed analysis of structure–activity relationships and representative catalytic systems, covalent PSM is established as a powerful strategy for designing efficient, selective, and recyclable MOF-based heterogeneous catalysts applicable to a broad range of organic transformations.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"21 ","pages":"Article 103064"},"PeriodicalIF":4.2,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146075147","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-03-01Epub Date: 2026-01-14DOI: 10.1016/j.rechem.2026.103070
Hamed Kalawoun, Muriel Chaghouri, François Delattre, Cédric Gennequin
Dry reforming of methane (DRM) is a promising route for syngas production, especially over nanostructured catalysts. This study reports the synthesis of Ni-Co-Mg-Al-La mixed oxides derived from layered double hydroxides (LDHs) by two methods, conventional co-precipitation and a modified approach involving ultrasonic irradiation (US). The different compositions were characterized by XRD, TG/DTA, N2 adsorption-desorption, and SEM-EDX techniques. XRD and DTA results confirm that ultrasonic irradiation promotes the incorporation of lanthanum ions into the lamellar structure. Moreover, the specific surface areas of samples increase by 25% in the US. Due to the enhancement of physicochemical properties, catalysts prepared using ultrasound exhibited improved catalytic activity, with a 5.5% increase in CO2 conversion and a 4.7% increase in CH4 conversion. The characterization of spent catalysts (XRD, TG/DTA, SEM) revealed minimal carbon formation in the catalysts prepared with ultrasonic irradiation, demonstrating the promoting effect of sonication on the stability of catalysts against carbon deposition.
{"title":"Syngas production via CO2 reforming of methane over Ni-Co-Mg-Al-La catalysts derived from hydrotalcite precursors prepared by ultrasound-assisted co-precipitation method","authors":"Hamed Kalawoun, Muriel Chaghouri, François Delattre, Cédric Gennequin","doi":"10.1016/j.rechem.2026.103070","DOIUrl":"10.1016/j.rechem.2026.103070","url":null,"abstract":"<div><div>Dry reforming of methane (DRM) is a promising route for syngas production, especially over nanostructured catalysts. This study reports the synthesis of Ni-Co-Mg-Al-La mixed oxides derived from layered double hydroxides (LDHs) by two methods, conventional co-precipitation and a modified approach involving ultrasonic irradiation (US). The different compositions were characterized by XRD, TG/DTA, N<sub>2</sub> adsorption-desorption, and SEM-EDX techniques. XRD and DTA results confirm that ultrasonic irradiation promotes the incorporation of lanthanum ions into the lamellar structure. Moreover, the specific surface areas of samples increase by 25% in the US. Due to the enhancement of physicochemical properties, catalysts prepared using ultrasound exhibited improved catalytic activity, with a 5.5% increase in CO<sub>2</sub> conversion and a 4.7% increase in CH<sub>4</sub> conversion. The characterization of spent catalysts (XRD, TG/DTA, SEM) revealed minimal carbon formation in the catalysts prepared with ultrasonic irradiation, demonstrating the promoting effect of sonication on the stability of catalysts against carbon deposition.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"21 ","pages":"Article 103070"},"PeriodicalIF":4.2,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146075153","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In recent breakthroughs in the field of nanoporous carbon-nitride two-dimensional (2D) nanomaterials, two novel covalent organic frameworks (COFs) with a C3N stoichiometry (J. Am. Chem. Soc. 2024, 146, 18151 & Angew. Chem. 2024, 136, e202415624) have been synthesized. Based on the realized C3N lattices, we also designed a new COF with CN stoichiometry and s-triazine core molecules. First-principles calculations based on the density functional theory and machine learning interatomic potentials were performed to investigate the dynamical and thermal stability, electronic band structure, optical, excitonic and mechanical properties of the free-standing C3N and CN monolayers. The results demonstrate remarkable thermal and dynamical stability of the C3N and CN nanosheets. Additionally, despite their highly porous structures, the C3N and CN monolayers are predicted to be able to withstand high tensile loads up to approximately 14 GPa. Electronic band structure calculations using the hybrid HSE06 functional indicate band gaps of around 3 eV in the considered C₃N and CN monolayers, which also lead to strong photon absorption spanning the ultraviolet to visible spectrum as well as interesting excitonic effects, highlighting their potential for optoelectronic applications. Additionally, their high work function suggests promising roles as hole injection layers in optoelectronic devices and as electron-blocking layers in energy-related applications. Presented first-principles results confirm the decent thermal/dynamical stability and mechanical robustness of semiconducting C₃N and CN nanosheets, positioning them as appealing candidates for designing flexible optoelectronic devices and high-efficiency energy storage/conversion systems.
{"title":"First-principles investigation of novel stable, strong, and highly attractive semiconducting nanoporous C3N and CN monolayers","authors":"Bohayra Mortazavi , František Karlický , Xiaoying Zhuang , Masoud Shahrokhi","doi":"10.1016/j.rechem.2026.103088","DOIUrl":"10.1016/j.rechem.2026.103088","url":null,"abstract":"<div><div>In recent breakthroughs in the field of nanoporous carbon-nitride two-dimensional (2D) nanomaterials, two novel covalent organic frameworks (COFs) with a C<sub>3</sub>N stoichiometry (<em>J. Am. Chem. Soc. 2024, 146, 18151</em> & <em>Angew. Chem. 2024, 136, e202415624</em>) have been synthesized. Based on the realized C<sub>3</sub>N lattices, we also designed a new COF with CN stoichiometry and <em>s</em>-triazine core molecules. First-principles calculations based on the density functional theory and machine learning interatomic potentials were performed to investigate the dynamical and thermal stability, electronic band structure, optical, excitonic and mechanical properties of the free-standing C<sub>3</sub>N and CN monolayers. The results demonstrate remarkable thermal and dynamical stability of the C<sub>3</sub>N and CN nanosheets. Additionally, despite their highly porous structures, the C<sub>3</sub>N and CN monolayers are predicted to be able to withstand high tensile loads up to approximately 14 GPa. Electronic band structure calculations using the hybrid HSE06 functional indicate band gaps of around 3 eV in the considered C₃N and CN monolayers, which also lead to strong photon absorption spanning the ultraviolet to visible spectrum as well as interesting excitonic effects, highlighting their potential for optoelectronic applications. Additionally, their high work function suggests promising roles as hole injection layers in optoelectronic devices and as electron-blocking layers in energy-related applications. Presented first-principles results confirm the decent thermal/dynamical stability and mechanical robustness of semiconducting C₃N and CN nanosheets, positioning them as appealing candidates for designing flexible optoelectronic devices and high-efficiency energy storage/conversion systems.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"21 ","pages":"Article 103088"},"PeriodicalIF":4.2,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146075145","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-03-01Epub Date: 2026-01-22DOI: 10.1016/j.rechem.2026.103073
Wenting Zhong , Xi Wang , Lixia Chen , Menghua Wu , Zhiguo Ma , Hui Cao , Ying Zhang
Objective
To investigate the quantitative correlation between color parameters and chemical component variations in Selaginellae Herba (SH) processed products under different firing intensities, integrating chromatographic and microscopic imaging techniques to establish objective quality control indicators for the traditional Chinese medicine processing theory of “preserving the herbal drug's nature after carbonization by stir-heating”.
Methods
We employed a Multivariate analytical approach to analyze samples representing distinct processing stages: crude (Selaginellae Herba crude, SH-Cr), optimally carbonized (Selaginellae Herba Carbonisata, SH-Ca), insufficiently carbonized SH-Ca (ISH-Ca) and excessively‑carbonized SH-Ca (ESHCa). These samples underwent macroscopic and microscopic colorimetric analysis using CIE L*a*b* measurements. Their contents of three bioactive biflavonoids—amentoflavone, sotetsuflavone, and isocryptomerin—were quantified via high-performance liquid chromatography (HPLC). Data integration and analysis were performed using partial least squares-discriminant analysis (PLS-DA) alongside correlation studies to identify key discriminative markers.
Results
The integrated analytical results demonstrated systematic changes across multiple scales during carbonization. Macroscopic and microscopic colorimetric analysis showed progressive darkening, with L* values decreasing significantly from SH-Cr to ESHCa, accompanied by tissue-specific colorimetric responses. HPLC quantification revealed distinct degradation profiles of the bioactive biflavonoids, indicating that amentoflavone exhibited greater thermal stability than sotetsuflavone, the latter of which degraded completely in ESHCa. Multivariate statistical modeling effectively discriminated processing stages (R2Y = 0.664, Q2 = 0.656), and identified microscopic color parameters, particularly epidermal cell a* values (VIP > 1.5), as more effective quality markers than macroscopic features.
Conclusion
This study establishes that microscopic color parameters, particularly the a* value of epidermal cells, serve as sensitive indicators of the chemical transformations occurring during SH carbonization. These findings provide a scientific basis for utilizing microscopic colorimetry in the quality control of carbonized traditional medicines.
{"title":"Quantification on fire-processing intensity effects on selaginellae herba carbonisata quality using integrated colorimetric and chemical analysis","authors":"Wenting Zhong , Xi Wang , Lixia Chen , Menghua Wu , Zhiguo Ma , Hui Cao , Ying Zhang","doi":"10.1016/j.rechem.2026.103073","DOIUrl":"10.1016/j.rechem.2026.103073","url":null,"abstract":"<div><h3>Objective</h3><div>To investigate the quantitative correlation between color parameters and chemical component variations in Selaginellae Herba (SH) processed products under different firing intensities, integrating chromatographic and microscopic imaging techniques to establish objective quality control indicators for the traditional Chinese medicine processing theory of “preserving the herbal drug's nature after carbonization by stir-heating”.</div></div><div><h3>Methods</h3><div>We employed a Multivariate analytical approach to analyze samples representing distinct processing stages: crude (Selaginellae Herba crude, SH-Cr), optimally carbonized (Selaginellae Herba Carbonisata, SH-Ca), insufficiently carbonized SH-Ca (ISH-Ca) and excessively‑carbonized SH-Ca (ESH<img>Ca). These samples underwent macroscopic and microscopic colorimetric analysis using CIE <em>L</em>*<em>a</em>*<em>b</em>* measurements. Their contents of three bioactive biflavonoids—amentoflavone, sotetsuflavone, and isocryptomerin—were quantified via high-performance liquid chromatography (HPLC). Data integration and analysis were performed using partial least squares-discriminant analysis (PLS-DA) alongside correlation studies to identify key discriminative markers.</div></div><div><h3>Results</h3><div>The integrated analytical results demonstrated systematic changes across multiple scales during carbonization. Macroscopic and microscopic colorimetric analysis showed progressive darkening, with <em>L</em>* values decreasing significantly from SH-Cr to ESH<img>Ca, accompanied by tissue-specific colorimetric responses. HPLC quantification revealed distinct degradation profiles of the bioactive biflavonoids, indicating that amentoflavone exhibited greater thermal stability than sotetsuflavone, the latter of which degraded completely in ESH<img>Ca. Multivariate statistical modeling effectively discriminated processing stages (R<sup>2</sup>Y = 0.664, Q<sup>2</sup> = 0.656), and identified microscopic color parameters, particularly epidermal cell a* values (VIP > 1.5), as more effective quality markers than macroscopic features.</div></div><div><h3>Conclusion</h3><div>This study establishes that microscopic color parameters, particularly the <em>a</em>* value of epidermal cells, serve as sensitive indicators of the chemical transformations occurring during SH carbonization. These findings provide a scientific basis for utilizing microscopic colorimetry in the quality control of carbonized traditional medicines.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"21 ","pages":"Article 103073"},"PeriodicalIF":4.2,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146075204","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In this work, a composite of copper oxide and graphitic carbon nitride (CuO/S-g-C3N4 NCs) were synthesized and their capacity to photocatalytically degrade methylene blue (MB) under visible light was assessed. CuO/S-g-C3N4 NCs were synthesized by combining thermally polymerized S-g-C3N4 with chemically precipitated CuO nanoparticles (CuO NPs) and characterized by UV–Vis, XRD, FT-IR, and SEM. Compared to pure CuO (2.72 eV) and S-g-C3N4 (2.56 eV), the UV–Vis measurements verified a smaller band gap of 2.45 eV for CuO/S-g-C3N4 NCs, suggesting better absorption of visible light. Under optimal experimental conditions (pH 10, 0.1 g/L catalyst dose, 10 mg/L dye concentration), photocatalytic tests demonstrated that the CuO/S-g-C3N4 NCs exceeded the individual photocatalysts, achieving 95.1% degradation in 80 min. The greater photocatalytic performance is ascribed to effective electron–hole separation and less recombination due to the heterojunction interface. Reusability experiments confirmed the structural integrity of catalyst by showing consistent performance across several cycles. Generally, CuO/S-g-C3N4 NCs exhibit great promise as effective photocatalysts for the treatment of wastewater under visible light.
{"title":"Copper oxide nanoparticles with Sulfur-doped graphitic carbon nitride nanocomposite and its catalytic dye degradation","authors":"Magegn Mandado, Kassim Kedir, Dereje Dadi, Shimeles Addisu Kitte","doi":"10.1016/j.rechem.2026.103054","DOIUrl":"10.1016/j.rechem.2026.103054","url":null,"abstract":"<div><div>In this work, a composite of copper oxide and graphitic carbon nitride (CuO/S-g-C<sub>3</sub>N<sub>4</sub> NCs) were synthesized and their capacity to photocatalytically degrade methylene blue (MB) under visible light was assessed. CuO/S-g-C<sub>3</sub>N<sub>4</sub> NCs were synthesized by combining thermally polymerized S-g-C<sub>3</sub>N<sub>4</sub> with chemically precipitated CuO nanoparticles (CuO NPs) and characterized by UV–Vis, XRD, FT-IR, and SEM. Compared to pure CuO (2.72 eV) and S-g-C<sub>3</sub>N<sub>4</sub> (2.56 eV), the UV–Vis measurements verified a smaller band gap of 2.45 eV for CuO/S-g-C<sub>3</sub>N<sub>4</sub> NCs, suggesting better absorption of visible light. Under optimal experimental conditions (pH 10, 0.1 g/L catalyst dose, 10 mg/L dye concentration), photocatalytic tests demonstrated that the CuO/S-g-C<sub>3</sub>N<sub>4</sub> NCs exceeded the individual photocatalysts, achieving 95.1% degradation in 80 min. The greater photocatalytic performance is ascribed to effective electron–hole separation and less recombination due to the heterojunction interface. Reusability experiments confirmed the structural integrity of catalyst by showing consistent performance across several cycles. Generally, CuO/S-g-C<sub>3</sub>N<sub>4</sub> NCs exhibit great promise as effective photocatalysts for the treatment of wastewater under visible light.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"21 ","pages":"Article 103054"},"PeriodicalIF":4.2,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145969399","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-03-01Epub Date: 2026-01-14DOI: 10.1016/j.rechem.2026.103066
H.A. Arjun , N. Manikandan , Ravi Kumar Rajan , K. Lakshmithendral , R. Elancheran , M. Ramanathan , Atanu Bhattacharjee , N.K. Lokanath , S. Kabilan
Prostate cancer (PCa) is a predominant malignancy in males, primarily influenced by androgen receptor (AR) activation, and presents limited treatment options in advanced stages. This research presents the design, synthesis, and thorough assessment of new benzohydrazide derivatives as effective androgen receptor antagonists, aiming to fulfill the demand for efficient, low-toxicity agents in prostate cancer treatment. Compounds (6 a-h) were designed using structure-based molecular docking against AR (PDB ID: 3V49), which indicated significant van der Waals interactions with hydrophobic residues (TRP741, LEU873) and hydrogen bonds with LEU704/HIE876 that maintain the inactive conformation and inhibit helix-12 closure. These compounds were synthesized via Schiff base condensation, characterized using spectral methods and single-crystal XRD (6d, 6 g, 6 h), and evaluated for ADME compliance, molecular dynamics stability, in vitro cytotoxicity (PC-3, LNCaP), apoptosis induction, and DNMT1 inhibition. Compounds 6d (LNCaP IC50: 7.17 ± 1.87 μM; PC-3 IC50: 32.09 ± 0.86 μM) and 6 g (LNCaP IC50: 10.45 ± 0.7 μM; PC-3 IC50: 44.65 ± 0.32 μM) demonstrated greater potency than bicalutamide, exhibiting dose-dependent effects, inducing apoptosis in LNCaP cells (AO/EtBr staining), showing non-toxicity to 3 T3 cells, and moderate inhibition of DNMT1 by 6d (23.9% at 100 μM). The presence of methoxy/hydroxy para-substituents enhanced activity by improving binding affinity, as indicated by Glide scores of −11.776 kcal/mol. The findings indicate that benzohydrazide derivatives featuring electron-donating substitutions are promising candidates for androgen receptor-specific therapy in prostate cancer.
{"title":"Design, synthesis, molecular docking, and crystal structure of benzohydrazide derivative as anti-cancer agents","authors":"H.A. Arjun , N. Manikandan , Ravi Kumar Rajan , K. Lakshmithendral , R. Elancheran , M. Ramanathan , Atanu Bhattacharjee , N.K. Lokanath , S. Kabilan","doi":"10.1016/j.rechem.2026.103066","DOIUrl":"10.1016/j.rechem.2026.103066","url":null,"abstract":"<div><div>Prostate cancer (PCa) is a predominant malignancy in males, primarily influenced by androgen receptor (AR) activation, and presents limited treatment options in advanced stages. This research presents the design, synthesis, and thorough assessment of new benzohydrazide derivatives as effective androgen receptor antagonists, aiming to fulfill the demand for efficient, low-toxicity agents in prostate cancer treatment. Compounds <strong><em>(6 a-h)</em></strong> were designed using structure-based molecular docking against AR (PDB ID: <span><span>3V49</span><svg><path></path></svg></span>), which indicated significant van der Waals interactions with hydrophobic residues (TRP741, LEU873) and hydrogen bonds with LEU704/HIE876 that maintain the inactive conformation and inhibit helix-12 closure. These compounds were synthesized via Schiff base condensation, characterized using spectral methods and single-crystal XRD (6d, 6 g, 6 h), and evaluated for ADME compliance, molecular dynamics stability, in vitro cytotoxicity (PC-3, LNCaP), apoptosis induction, and DNMT1 inhibition. Compounds 6d (LNCaP IC50: 7.17 ± 1.87 μM; PC-3 IC50: 32.09 ± 0.86 μM) and 6 g (LNCaP IC50: 10.45 ± 0.7 μM; PC-3 IC50: 44.65 ± 0.32 μM) demonstrated greater potency than bicalutamide, exhibiting dose-dependent effects, inducing apoptosis in LNCaP cells (AO/EtBr staining), showing non-toxicity to 3 T3 cells, and moderate inhibition of DNMT1 by 6d (23.9% at 100 μM). The presence of methoxy/hydroxy para-substituents enhanced activity by improving binding affinity, as indicated by Glide scores of −11.776 kcal/mol. The findings indicate that benzohydrazide derivatives featuring electron-donating substitutions are promising candidates for androgen receptor-specific therapy in prostate cancer.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"21 ","pages":"Article 103066"},"PeriodicalIF":4.2,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146036249","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}