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Applications of Surface-Enhanced Raman Spectroscopy in the Analysis of Traditional Chinese Medicines
CHEN Xuan;OU Shu-xin;XIE Liang;LIU Yan;ZHANG Hong-yang;JIANG Xuan;FU Jian-jun;ZHANG Min;The chemical composition of traditional Chinese medicines( TCMs) is complex and is often susceptible to matrix interference.Traditional analytical methods are limited by their insufficient sensitivity,cumbersome sample preparation procedures,and high reliance on expensive equipment,which render them less suitable for the rapid screening and on-site detection of TCMs.Surface-enhanced Raman spectroscopy( SERS),based on the localized surface plasmon resonance effect of noble metal nanostructures,can significantly enhance the signals of trace molecules and provide “fingerprint” identification. It combines the advantages of high sensitivity,strong specificity,rapid and non-destructive analysis,good compatibility with aqueous systems,and easy integration into portable platforms,thereby providing a new technical approach for the quality analysis of complex TCM systems. This review systematically summarized the enhancement mechanisms,methodological features,and data processing strategies of SERS in TCM analyses,focusing on the progress in the identification,inspection,content determination,and holistic characterization of TCMs.Complementary strategies that combine SERS with chromatography,mass spectrometry,and chemometric methods were also discussed,along with their potential for quality monitoring throughout the TCM production process. With the continuous advancement of the SERS substrate preparation technology,establishment of standardized methods,and improvement of spectral databases,SERS was expected to play an increasingly important role in controlling the quality of TCMs.Further integration of this technology with process analytical technologies and artificial intelligence algorithms will provide a powerful tool for realizing whole-chain,real-time,and intelligent quality monitoring of samples ranging from herbal materials to finished preparations,thereby contributing to enhanced TCM quality and the modernization of the TCM industry.
Reduction Mechanism of Trimethylquinone Propionic Acid Catalyzed by Quinone Oxidoreductase 1:A DFT Investigation
FAN Wen-cheng;REN Ting;SUN Guo-hui;ZHANG Na;ZHAO Li-jiao;ZHONG Ru-gang;Hypoxia-activated prodrugs( HAPs) represent an important therapeutic strategy targeting the hypoxic tumor microenvironment. Trimethyl lock quinone propionic acid( Q3 PA),a quinone-based HAP,can be reduced by quinone oxidoreductase 1( NQO1) under tumor hypoxia,triggering intramolecular cyclization and the release of active pharmacophores.It has been widely employed in the design of antitumor prodrugs and fluorescent probes. However,the specific enzymatic reduction mechanism of Q3 PA remains unclear,limiting its further rational optimization. Density functional theory( DFT) and molecular docking methods were employed to systematically investigate the two-electron reduction mechanism of Q3 PA mediated by the coenzyme reduced flavin adenine dinucleotide( FADH2) and its interaction mode within the NQO1 active center.By constructing four possible reaction pathways and calculating the structures and energies of each stationary point,the dominant reaction pathway was elucidated: Initially,FADH2 delivered 2e~-/1H~+to the carbonyl oxygen atom of Q3 PA,generating a semiquinone anion intermediate.Subsequently,a histidine residue provided a second proton to form the hydroquinone structure.Finally,intramolecular cyclization yielded a lactone,releasing the pharmacophore. Molecular docking results revealed that the benzoquinone moiety of Q3 PA stacks parallelly above the isoalloxazine ring of FADH2,forming stable π-π interactions.Its carbonyl groups form hydrogen bonds with Tyr126 and Tyr128,while hydrophobic interactions with residues including Pro68,Trp105,Phe106,His161,and Phe178 further ensure precise substrate positioning within the active center.This study elucidated the reduction pathway and key structural features of Q3 PA catalyzed by NQO1 at the atomic level,identifies the dominant pathway and rate-determining step,and clarifies the substrate-enzyme recognition mechanism,providing a theoretical basis for the design of novel hypoxia-targeted antitumor drugs.
Design,Synthesis,and Antifungal Activity of Novel Triazole Amide Derivatives
ZHU Pan-hu;HU Bo-yu;YANG Wen-qian;Triazoles are currently the most widely used drugs for treating invasive fungal infections in clinical practice.However,drug resistance is becoming increasingly serious,posing challenges for the treatment of fungal infections. To discover antifungal agents with novel structures and excellent broad-spectrum antifungal activity,a series of new triazole amide derivatives were synthesized and evaluated for their antifungal activity. Four novel triazole amide derivatives were designed and synthesized by utilizing( 2S)-2-( 4-isobutylphenyl) propanoic acid,( 2S)-2-( 6-methoxynaphthalen-2-yl) propanoic acid,( S)-1-Boc-2-methylpiperazine,and 1-Boc-piperazine as starting materials.The structures of the triazole amide derivatives were characterized by1 HNMR,13CNMR and MS. Subsequently,their inhibitory effects on Candida albicans,Aspergillus fumigatus,Cryptococcus neoformans,and azole-resistant Candida were assessed through in vitro assays. The triazole amide derivatives demonstrated excellent antifungal and anti-drug-resistant fungal activities.Among them,( 2S)-1-[( 3S)-4-[( 2R,3R)-3-( 2,4-difluorophenyl)-3-hydroxy-4-( 1,2,4-triazapentadien-1-yl) but-2-yl]-3-methylpiperazine-1-yl]-2-[4-( 2-methylpropyl) phenyl]propan-1-one( 3e)was the most potent antifungal agent with MIC80values of 0. 25,2. 0,and 2. 0 μg/m L against Candida albicans,Cryptococcus neoformans,and Aspergillus fumigatus,respectively,which are the three most common and critical priority pathogenic fungi.Compound 3e also exhibited potent activity against azole-resistant Candida. Molecular docking was used to simulate the binding mode of compound 3e with Candida albicans CYP51 and to analyze the potential amino acid residues involved in the formation of interactions between each compound and the target enzyme. These compounds have strong in vitro antifungal activity and are worthy of further exploration and research.
Application of Rhizoma Polypodiodis Nipponicae Polysaccharide-Lipoic Acid-Chitosan Composite Hydrogel for Wound Repair
WANG Yue-nan;XIAO Qian-ni;HU Yi-ming;YU Cao-yue;ZHANG Wen-le;YOU Xiang-yu;This study aimed to investigate the antioxidant activity of crude polysaccharides from the traditional Chinese medicine Rhizoma polypodiodis nipponicae and to evaluate the wound-healing efficacy of the Rhizoma polypodiodis nipponicae polysaccharide( RPNP)-lipoic acid( LA)-chitosan( CS) composite hydrogel in a full-thickness dorsal skin wound model in mice.RPNP was extracted via water extraction and ethanol precipitation,followed by deproteinization using the Sevage method.In vitro antioxidant capacity of RPNP was assessed using DPPH,ABTS+,and hydroxyl radical scavenging assays. CS served as a scaffold for the composite hydrogel,with LA grafted onto CS via an amide reaction. The RPNP-LA-CS composite hydrogel was prepared by incorporating RPNP,followed by self-assembly of disulfide bonds in LA under 365 nm UV irradiation.The biocompatibility of the composite hydrogel was assessed using a hemolysis assay,and its antibacterial activity against Staphylococcus aureus( S. aureus)and Pseudomonas aeruginosa( P.aeruginosa) was evaluated.A full-thickness dorsal skin wound model in mice was established to examine the wound-healing efficacy of the composite hydrogel,and histological changes were examined using hematoxylin and eosin( H&E) staining. Results demonstrated that RPNP exhibited significant scavenging activity against DPPH,ABTS+,and hydroxyl radicals,with half-maximal inhibitory concentrations( IC50) of( 1. 97 ± 0. 22),( 1. 86 ± 0. 27),and( 5. 48 ± 0. 48)mg/m L,respectively.The RPNP-LA-CS composite hydrogel showed excellent biocompatibility in hemolysis assays and remarkable antibacterial activity against both S. aureus and P. aeruginosa,achieving inhibition ratios exceeding 98% for both strains. In the mouse wound model,the composite hydrogel significantly promoted wound healing. Histological analysis using H&E staining revealed that skin tissues in the RPNP-LA-CS group were well-repaired,maintaining an intact structure and exhibiting superior tissue regeneration compared with the control groups.These results provide new insights into the antioxidant activity of RPNP and underscore its potential applications in trauma repair and regenerative medicine.
Efficient Hydrolytic Separation and Recovery of Native Lignin and Cellulose from Distillers' Grains
LUO Jie;AN Wen-li;FU Zhi-cheng;DENG Jin-ni;WANG Ting;JIANG Yan;CHEN Ming-jun;The high-value utilization of distillers' grains has gradually attracted attention with the advances of green and sustainable development in the liquor industry. In this study,an integrated strategy based on a combination of enzymatic pretreatment and alkaline hydrolysis,was developed for the full-component separation of distillers' grains and the intact recovery of native lignin and cellulose. Initially,amylase and saccharase were used stepwise to remove starch and soluble sugars from the distillers' grains,followed by alkaline hydrolysis under mild conditions to separate lignin and cellulose.The effects to the product,of hydrolysis temperature( 60 ～ 120 ℃) and time( 48 ～ 66 h) were systematically investigated.Efficient separation of lignin and cellulose was achieved under the conditions of 100 ℃ and 0. 5 mol/L Na OH for 48 h,the lignin recovery reached 91. 4%.FT-IR,NMR,GPC,TGA,and XRD confirmed that the recovered lignin retained its complete structure,exhibited a moderate molecular weight with a narrow distribution( M_w13 k Da,PDI 1. 3),and the cellulose was of high purity and exhibited good crystallinity.SEM observations revealed that the lignin had a uniform spherical morphology and the cellulose fibers showed clear fibrous structures.This method provides a simple and efficient separation pathway for the high-value components of distillers' grains,demonstrating potential for resource utilization.
Journal Information
Journal Name: Chemical Reagents
First Published: April 1979 • Monthly
Governed by: China Petroleum and Chemical Industry Federation
Sponsored by:
China Association for Analysis and Testing
Sinopharm Chemical Reagents Co., Ltd.
Beijing Guohua Jingshi Consulting Co., Ltd.
Edited and Published by: Editorial Office of Chemical Reagents
Editor-in-Chief: Qing Fengling
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Serial Publication Number: ISSN 0258-3283 CN 11-2135/TQ
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