Food Biophysics最新文献

{"title":"Exploring Blue Laser Applications in Saccharomyces cerevisiae for Food Safety and Innovation","authors":"Mohamad Firdaus Noor Azman,&nbsp;Jing Heng Fong,&nbsp;Nursakinah Suardi,&nbsp;Eugene Boon Beng Ong,&nbsp;Sylvester Jande Germanem","doi":"10.1007/s11483-025-09999-y","DOIUrl":"10.1007/s11483-025-09999-y","url":null,"abstract":"<div><p>The application of blue laser irradiation at 405 nm has attracted significant attention for its potential in microbial control for food safety and food processing. This study investigates the effects of low-level laser irradiation (LLLI) on S<i>accharomyces cerevisiae</i>, a key microorganism of industrial food fermentation. Using 100 mW and 300 mW power outputs, the impact of varying laser exposure times (10–40 min) on the yeast cells was assessed through growth kinetics, cell viability assays, protein analysis, and morphological studies. Results revealed that 100 mW irradiation did not significantly affect cell viability or growth, aligning with the principles of the Arndt-Schultz law. Conversely, 300 mW irradiation induced a bio-inhibition response, with cell viability dropping to 65% after 40 min. SDS-PAGE analysis indicated significant alterations in protein profiles, including lighter bands at higher molecular weights, suggesting protein aggregation or degradation due to reactive oxygen species (ROS) production. Morphological analysis highlighted disrupted cell cycle progression and reduced cell size under 300 mW irradiation, particularly affecting the S and G2 phases. These findings demonstrate the potential of blue laser irradiation as a non-invasive tool strategy for microbial control in food safety optimization.</p></div>","PeriodicalId":564,"journal":{"name":"Food Biophysics","volume":"20 3","pages":""},"PeriodicalIF":3.2,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11483-025-09999-y.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145166642","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effect of a Sustained-Release Sheet Loaded with Basil Essential Oil on the Preservation of Large Yellow Croaker (Larimichthys crocea)","authors":"Yun-Fang Qian,&nbsp;Cheng-Jian Shi,&nbsp;Run-Jian Gao,&nbsp;Lu Sun,&nbsp;Sheng-Ping Yang","doi":"10.1007/s11483-025-10002-x","DOIUrl":"10.1007/s11483-025-10002-x","url":null,"abstract":"<div><p>To address the issue that the exudate from fish accelerates the spoilage process, a sustained-release absorbent pad (BC-F/AP) was developed. This pad consisted of a chitosan/sodium alginate (CS/SA) sheet containing a basil essential oil inclusion complex (BEO-IC) combined with an absorbent pad (AP). The effects of BC-F/AP on quality maintenance and myofibrillar protein (MP) stability in large yellow croaker (<i>Larimichthys crocea</i>) were investigated in comparison with the control (CK), commercial pad (AP), pure BEO, and BEO-IC. The findings showed that the BC-F/AP group suppressed the proliferation of psychrophilic bacteria in fish fillets and minimized cooking loss. On day 10, the microbial count of BC-F/AP group (9.45 log CFU/g) was lower than the CK group (10.47 log CFU/g), and the cooking loss was reduced by 3.08%. At the same time, it significantly suppressed protein deterioration: TCA-soluble peptide content decreased by 1.39 µmol tyrosine/g, MFI by 46.82, surface hydrophobicity by 7.33 µg BPB/mg protein, and turbidity by 0.59. In vitro experiments by incubating exudate with MPs confirmed that the exudate accelerated the degradation and oxidation of MPs in decreasing protein content and intrinsic fluorescence intensity, and increasing surface hydrophobicity and particle size. In conclusion, the BC-F/AP group maintained the quality of the large yellow croaker and the integrity of MPs by absorbing exudate and sustained-releasing antibacterial and antioxidant activity.</p></div>","PeriodicalId":564,"journal":{"name":"Food Biophysics","volume":"20 3","pages":""},"PeriodicalIF":3.2,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145165663","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Thermodynamic and Structural Evaluation of the Icariside II and Whey Protein Concentrate Complexes","authors":"Róbert Szabó,&nbsp;Csaba-Pál Rácz,&nbsp;Levente Zsolt Rácz,&nbsp;Melinda Sárközi,&nbsp;Irina Kacsó,&nbsp;Maria-Olimpia Miclaus,&nbsp;Francisc Vasile Dulf","doi":"10.1007/s11483-025-09998-z","DOIUrl":"10.1007/s11483-025-09998-z","url":null,"abstract":"<div><p>Icariside II (ICS), the main active component of the <i>Herba Epimedii</i>, has attracted abundant interest due to its extensive range of potential health-promoting applications such as cancer prevention, treatment of cardiovascular disease, osteoporosis and erectile dysfunction and delaying the effects of Alzheimer’s disease. However, its great potential as a food supplement is diminished by its poor bioavailability. Although in the case of other flavonoids complexation with whey protein concentrate (WPC) resulted in significant bioavailability improvement, so far, no studies investigated the complex formation with icariside II. This study focuses on understanding the interactions between icariside II and WPC, with a specific focus on β-lactoglobulin (β-lg), its main protein component. The comparison of the performed X-ray powder diffraction, differential scanning calorimetry and Fourier transform infrared spectroscopy measurements between the raw mixture of WPC and ICS and the complex provides evidence of the formation of a new supramolecular ICS-WPC complex. The binding constant, binding number and thermodynamic parameters of the reaction were obtained using fluorescence spectroscopy. Additionally, a molecular docking study was performed to further investigate the interaction between ICS and β-lg. The complex formation of ICS-WPC opens up a new possibility to improve the bioavailability of the icariside II, thus contributing to the prevention and curing of many diseases.</p></div>","PeriodicalId":564,"journal":{"name":"Food Biophysics","volume":"20 3","pages":""},"PeriodicalIF":3.2,"publicationDate":"2025-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11483-025-09998-z.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145165052","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Machine Learning-Based Prediction of Firmness in Coated Bananas Under Retail Conditions","authors":"Mawande Shinga,&nbsp;Yardjouma Silue,&nbsp;Olaniyi Fawole","doi":"10.1007/s11483-025-10001-y","DOIUrl":"10.1007/s11483-025-10001-y","url":null,"abstract":"<div><p>This study explored the use of machine learning (ML) algorithms for the non-destructive prediction of banana firmness under retail conditions, facilitating real-time quality assessment, optimising supply chain decisions, and improving postharvest management. Bananas were coated with the optimal formulation of <i>Opuntia ficus-indica mucilage</i> (OF) and stored at 23 ± 2 ℃ for 10 days. A factorial experimental design was employed, with edible coating and storage duration as primary factors. Banana parameters, including respiration rate, ethylene production, weight loss, and colour, were measured alongside firmness. Collected data was used to develop predictive models using ML techniques, namely Partial Least Squares (PLS) regression, Ridge regression, and Elastic Net regression. The results showed that banana firmness could be predicted using non-invasive attributes, with respiration rate and weight loss being the most influential predictors. Among the models tested, PLS regression exhibited the highest predictive accuracy, with an R² of 0.978, RMSE of 0.097, MAE of 0.009, and R²-adjusted value of 0.940. Ridge regression followed closely (R² of 0.972, RMSE of 0.110, MAE of 0.012, and R²-adjusted of 0.922), while Elastic Net regression, though slightly less precise, still demonstrated strong predictive capability (R² = 0.956, RMSE = 0.142, MSE = 0.020, R²-adjusted = 0.801). This study also demonstrated that the application of an optimised <i>Opuntia ficus-indica</i> mucilage extended the shelf-life of bananas by four days. This approach allows real-time quality assessment, enhancing quality control, reducing postharvest losses, and improving inventory management in the fruit industry.</p></div>","PeriodicalId":564,"journal":{"name":"Food Biophysics","volume":"20 3","pages":""},"PeriodicalIF":3.2,"publicationDate":"2025-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11483-025-10001-y.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145165108","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Dual-Functionalized Zinc Oxide Nanoparticles-Polyphenol-Chitosan Coatings for Synergistic Antioxidant and Antimicrobial Preservation of Sapota","authors":"Sukhmani Gandhi,&nbsp;Moushumi Ghosh","doi":"10.1007/s11483-025-09996-1","DOIUrl":"10.1007/s11483-025-09996-1","url":null,"abstract":"<div>\u0000 \u0000 <p>This study presents a novel edible bio-nanocomposite coating developed to enhance the postharvest preservation of <i>Manilkara zapota</i> fruits through the integration of natural antioxidants and green nanotechnology. A chitosan-based matrix was functionalized with polyphenol-rich onion peel extract at 30% v/v and reinforced with zinc oxide nanoparticles (ZnONPs) at 0.1% w/v (optimized) -both derived through sustainable approaches. Onion peel, an agricultural by-product, was effectively valorized as a potent source of polyphenols contributing antioxidant and antimicrobial efficacy. The optimized formulation exhibited nanoscale properties favourable for coating performance. It showed a particle size of 142.4 ± 4.01 nm, polydispersity index of 0.107 ± 0.021, surface contact angle of 84.3°, and positive zeta potential of 18.27 ± 0.15 mV, indicating excellent colloidal stability and surface activity. The coating displayed strong antimicrobial properties against <i>Escherichia coli</i> and <i>Staphylococcus aureus</i> and inhibited biofilm formation by 86% percent and 95% respectively. When applied to sapota fruits stored at 20 ± 2 °C, 35–40% relative humidity for ten days, the coating significantly preserved physicochemical quality. Treated fruits retained titratable acidity at 0.38 ± 0.01% and levels of ascorbic acid (17.8 ± 0.1 mg/100 g), total antioxidant capacity (76.4 ± 0.95% DPPH inhibition), total phenolics (58.6 ± 1.64 mg GAE/100 g), and flavonoid content (156 ± 9 µg QE/100 mg) were significantly elevated compared to uncoated controls. Physiological weight loss was reduced to 13.43 ± 0.98% and fruit firmness was maintained at 6.02 ± 0.12 N. Microbial loads were lowered by 2.53 and 1.13 log units for bacteria and fungi, respectively. This work establishes a multifunctional and eco-efficient platform for active fruit preservation using natural waste-derived compounds and biocompatible nanomaterials.</p>\u0000 <span>AbstractSection</span>\u0000 Graphical Abstract\u0000 <div><figure><div><div><picture><source><img></source></picture></div></div></figure></div>\u0000 \u0000 </div>","PeriodicalId":564,"journal":{"name":"Food Biophysics","volume":"20 3","pages":""},"PeriodicalIF":3.2,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145163274","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Nutritional Quality and Starch Physicochemical Properties of Tubers from Different Potato Cultivars: A Comparative Analysis","authors":"Zhao Yuci,&nbsp;Jiang Hong,&nbsp;Ying Shi,&nbsp;Zeng Fankui,&nbsp;Li Quanshuang,&nbsp;Yu lei","doi":"10.1007/s11483-025-09994-3","DOIUrl":"10.1007/s11483-025-09994-3","url":null,"abstract":"<div><p>Potato cultivars with superior nutritional profiles and optimal starch characteristics are important for food applications, as starch physicochemical properties greatly influence the processing behavior and end-product attributes. In this study, three types of cultivars including Dongnong 310, Russet Burbank and Atlantic differing in nutrition quality and starch properties were compared. Results showed that Dongnong 310 possessed higher lightness with greater hardness, higher contents of proximate composition (total protein, fat and starch) and mineral (P, K, Fe and Zn) as well as essential amino acid levels. Notable variations were observed among various physicochemical attributes, particularly in amylose/amylopectin composition, thermal behavior, crystallinity degree, and cell wall thickness. It was found that the amylopectin content, the values of onset temperature (T₀), peak temperature (T_p), conclusion temperature (T_c), enthalpy of gelatinization (ΔH) and the relative crystallinity in Dongnong 310 are the highest among three cultivars, which are all 5-6% higher than Russet Burbank. Additionally, transmission electron microscope (TEM) observation showed that Dongnong 310 possessed significantly thinner cell walls compared to other cultivars. This study presents novel findings on Dongnong 310, a potato cultivar that uniquely combines enhanced nutritional value with promising starch properties in comparison with two globally recognized cultivars, suggesting that Dongnong 310 is a potentially valuable cultivar for further studying in food applications.</p></div>","PeriodicalId":564,"journal":{"name":"Food Biophysics","volume":"20 3","pages":""},"PeriodicalIF":3.2,"publicationDate":"2025-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145162449","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optimization of CMC/ɩ-Carrageenan Films for Packaging of Indian Cottage Cheese (Paneer) Using Response Surface Methodology","authors":"Nirmala JP,&nbsp;Kanchana M,&nbsp;Ragava Raja R","doi":"10.1007/s11483-025-09990-7","DOIUrl":"10.1007/s11483-025-09990-7","url":null,"abstract":"<div>\u0000 \u0000 <p>Biopolymer films are gaining attention as sustainable alternatives for food packaging due to their eco-friendly properties and functional benefits. This study focuses on developing a composite film using carboxymethyl cellulose (CMC) and ɩ-carrageenan (CG), optimized for Indian cottage cheese (paneer) packaging to provide effective barrier properties, mechanical strength, and biodegradability. Using central composite design (CCD) and response surface methodology (RSM), the formulation was fine-tuned to reduce the water vapour transmission rate (WVTR) and elongation at break (EB) while enhancing tensile strength (TS). The optimal composition of 1.434% CMC and 1.772% CG demonstrated excellent mechanical and barrier properties, with TS (7.14 MPa), EB (33.96%), and WVTR (254.01 g/m²/day), showing percentage errors of 1.96%, 3.44%, and 1.44%, respectively, relative to the predicted model values. Additional evaluations, including thermogravimetric analysis (TGA), Fourier-transform infrared (FTIR) spectroscopy, and scanning electron microscopy (SEM), confirmed the film’s thermal stability, structural integrity, and smooth morphology. When heat sealed at 210 °C, the film exhibited antimicrobial activity, inhibiting <i>Staphylococcus aureus</i> with a 15.6 mm zone of inhibition, and extended the shelf life of paneer to 18 days. With biodegradability under composting conditions and visual appeal, this CMC/CG film offers a promising alternative to synthetic food packaging materials.</p>\u0000 </div>","PeriodicalId":564,"journal":{"name":"Food Biophysics","volume":"20 3","pages":""},"PeriodicalIF":3.2,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145171675","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effect of Ultrasound-Assisted Vacuum Drying on Moisture Transport Behavior and Physicochemical Properties of Nori-like Products Prepared from Green Laver (Ulva lactuca)","authors":"Wahyu Ramadhan,&nbsp;Natasya Karolina BR Sitepu,&nbsp;Tiara Sukma Salmiragga,&nbsp;Muhamad Noor Fauzan,&nbsp;Safrina Dyah Hardiningtyas,&nbsp;Kiki Adi Kurnia,&nbsp;Rizfi Fariz Pari,&nbsp;Agung Tri Wijayanta,&nbsp; Uju","doi":"10.1007/s11483-025-09993-4","DOIUrl":"10.1007/s11483-025-09993-4","url":null,"abstract":"<div><p>Drying methods are essential in the production of nori-like products from <i>Ulva lactuca</i>, because it directly affects both process efficiency and product quality. Therefore, this research aimed to evaluate drying kinetics and physicochemical properties of restructured seaweed sheets subjected to three drying methods, namely conventional tray drying (TD), ultrasound-assisted vacuum drying (UAVD) at varying temperatures (UAVD-T), and UAVD at different vacuum pressures (UAVD-P). Thirteen thin-layer drying models were tested, with Aghbashlo, Midilli–Kucuk, and Modified Page models in order to determine the best fit for predicting moisture removal behavior. This showed that UAVD-T achieved the highest drying rate (DR) and effective moisture diffusivity (D_eff) at 70 °C and 20 kPa, while UAVD-P preserved the highest protein and fiber content at 20 kPa. Across treatments, UAVD was used to obtain a lower total color change (ΔE), reduced water activity, and higher retention of antioxidant capacity (IC₅₀: 122–148 ppm) compared to TD. The finding confirmed that UAVD enhanced drying performance and preserved key quality attributes, supporting its potential as a sustainable method for producing seaweed-based nori analogs. This research also provided the first comprehensive kinetics modeling framework for UAVD-treated <i>U. lactuca</i>, used to inform future applications in industrial process optimization and the development of green drying technologies.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":564,"journal":{"name":"Food Biophysics","volume":"20 3","pages":""},"PeriodicalIF":3.2,"publicationDate":"2025-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145170454","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Sweet Orange and Sour Orange Essential Oils: A Review of Extraction Methods, Chemical Composition, Antioxidant and Antimicrobial Activities, and Applications in Innovative Food Technologies","authors":"Elder Pacheco da Cruz,&nbsp;Estefania Júlia Dierings Souza,&nbsp;Gabriel Lucas Pail,&nbsp;Tatiane Jéssica Siebeneichler,&nbsp;Laura Martins Fonseca,&nbsp;Cesar Valmor Rombaldi,&nbsp;Elessandra da Rosa Zavareze,&nbsp;Alvaro Renato Guerra Dias","doi":"10.1007/s11483-025-09989-0","DOIUrl":"10.1007/s11483-025-09989-0","url":null,"abstract":"<div><p>The global production of oranges is significant, and the essential oils (EOs) derived from these fruits have been extensively studied for their antimicrobial, antioxidant, and non-toxic properties. This review focuses on the scientific literature of EOs extracted from the peels, leaves, and flowers of sweet orange (<i>Citrus sinensis</i>) and sour orange (<i>Citrus aurantium</i>), providing updates and highlighting their chemical composition, biological properties (antioxidant and antimicrobial), toxicity, and potential applications in innovative food technologies. The review was conducted using the Web of Science database, filtering mainly articles published in the last 10 years (2015–2024). The chemical composition of these EOs is well characterized, with D-limonene and limonene the main compounds found in the peels. Other frequently identified bioactive constituents include α-pinene, β-pinene, myrcene, sabinene, linalool, linalool acetate, nerol, and germacrene B, among others. However, the composition of EOs can vary depending on the part and variety of the plant, soil and climate conditions, extraction methods, as well as factors such as stage of ripeness and storage conditions. The observed antimicrobial efficacy and antioxidant activity of EOs are limited by their inherent sensitivity to environmental parameters, thus limiting their direct application. Strategies involving encapsulation are used to mitigate this within systems of particles, nanoparticles, nanoemulsions, edible coatings, oleogels, and polymeric films, which are being explored as promising avenues for technological innovation. Future research should focus on the application of EOs in different products and conducting in vivo evaluations to expand their potential use.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":564,"journal":{"name":"Food Biophysics","volume":"20 3","pages":""},"PeriodicalIF":3.2,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145169650","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Glucosinolate-Mediated Inhibition of Carbonic Anhydrase IX: A Study on Turnip (Brassica rapa) and its Potential in Cancer Prevention","authors":"Emadeldin M. Kamel,&nbsp;Ahmed A. Allam,&nbsp;Hassan A. Rudayni,&nbsp;Saleh Alkhedhairi,&nbsp;Faris F. Aba Alkhayl,&nbsp;May Bin-Jumah,&nbsp;Doaa A. Abdelrheem,&nbsp;Al Mokhtar Lamsabhi","doi":"10.1007/s11483-025-09992-5","DOIUrl":"10.1007/s11483-025-09992-5","url":null,"abstract":"<div><p>Cruciferous vegetables such as turnip (<i>Brassica rapa</i>) are rich in bioactive glucosinolates with potential health-promoting and anticancer properties. Here, 4-methoxyglucobrassicin, glucobrassicin and neoglucobrassicin were purified from hot-methanol extracts of <i>B. rapa</i> roots by acidic-alumina and Sephadex LH-20 chromatography. Recombinant human carbonic anhydrase IX (CA IX) esterase activity was measured with a 4-nitrophenyl-acetate microplate assay, and inhibition constants were extracted from Lineweaver–Burk plots. Protein–ligand interactions were investigated by AutoDock Vina docking (PDB 5FL4), followed by 200 ns CHARMM36m molecular-dynamics simulations in GROMACS; binding free energies were obtained with the MM/PBSA method, and conformational stability was evaluated through free-energy-landscape analysis. In vitro enzyme-inhibition assays revealed that neoglucobrassicin and glucobrassicin exhibited potent CA IX inhibition, with IC₅₀ values of 48.5 ± 2.1 nM and 65.06 ± 2.8 nM, respectively. Kinetic studies indicated a mixed-type inhibition mechanism, suggesting multiple interaction modes with the enzyme. Molecular docking confirmed strong polar interactions within the CA IX active site, and MD/MM-PBSA ranked neoglucobrassicin as the most favorable binder (ΔG_total = − 34.74 ± 2.47 kcal mol⁻¹). Free-energy-landscape analysis further showed that neoglucobrassicin maintains a highly stable conformational state during the simulation. Overall, this integrated isolation, enzyme-assay, and computational workflow identifies turnip-derived indole glucosinolates as promising natural CA IX inhibitors and supports their potential role in functional foods and nutraceuticals aimed at cancer prevention and tumor-micro-environment modulation.</p></div>","PeriodicalId":564,"journal":{"name":"Food Biophysics","volume":"20 3","pages":""},"PeriodicalIF":3.2,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145169751","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}