Results in Chemistry最新文献

{"title":"Deciphering the multi-target mechanism of Yifei Xiaoji decoction in NSCLC through network pharmacology, transcriptomics, and functional validation","authors":"Cihan Wang,&nbsp;Jian Wu,&nbsp;Kang Feng,&nbsp;Yang Bao,&nbsp;Jianming Lu,&nbsp;Ouyang Zhang,&nbsp;Junying Jiang,&nbsp;Qifeng Song,&nbsp;Guangzheng Zhu,&nbsp;Yuntao Tang,&nbsp;Peihe Wang,&nbsp;Xiaopeng Yang,&nbsp;Hong Guo,&nbsp;Wei Wang,&nbsp;Chenlong Yi","doi":"10.1016/j.rechem.2026.103777","DOIUrl":"10.1016/j.rechem.2026.103777","url":null,"abstract":"<div><h3>Background</h3><div>Non-small cell lung cancer (NSCLC) is a leading cause of cancer-related death. Yifei Xiaoji Decoction (YXD) shows clinical benefits for advanced NSCLC, but its mechanisms are not fully understood.</div></div><div><h3>Materials and methods</h3><div>Network pharmacology and transcriptomics of YXD-treated tumors were integrated to identify core targets. Molecular docking assessed binding affinity. In vivo efficacy was evaluated in a Lewis lung carcinoma syngeneic model. In vitro assays measured cell viability, apoptosis, mitochondrial function (Ca²⁺ flux and membrane potential), and PI3K/AKT/Bax/Bcl-2 protein expression.</div></div><div><h3>Results</h3><div>YXD simultaneously regulated the PI3K/AKT pathway and mitochondrial calcium homeostasis. It inhibited tumor growth in a dose-dependent manner, promoted apoptosis in vivo, and suppressed cell viability while triggering mitochondrial calcium overload in vitro. Western blot confirmed that YXD suppressed PI3K/AKT phosphorylation and increased the Bax/Bcl-2 ratio.</div></div><div><h3>Conclusion</h3><div>YXD promotes NSCLC apoptosis by inhibiting the PI3K/AKT survival pathway and disrupting mitochondrial calcium signaling, providing a scientific basis for its use as an auxiliary NSCLC treatment.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"29 ","pages":"Article 103777"},"PeriodicalIF":5.8,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148854550","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Comparative study of separation techniques of black mass from the current collector: LiFePO4 case","authors":"A.R. Abbasi,&nbsp;S.M. Masoudpanah","doi":"10.1016/j.rechem.2026.103647","DOIUrl":"10.1016/j.rechem.2026.103647","url":null,"abstract":"<div><div>In this work, three pretreatment methods were compared to separate the black mass from the aluminum current collector foil in the out-of-line LiFePO₄ cells. These methods included dissolving the Al foil in sodium hydroxide, burning the polyvinylidene fluoride (PVDF) binder, and dissolving the PVDF binder in <em>N</em>-methyl-2-pyrrolidone. The structural, microstructural, and electrochemical properties were analyzed using X-ray diffraction, Fourier transform infrared spectroscopy, Raman spectroscopy, electron microscopy, and galvanostatic and cyclic voltammetry techniques. The thermal decomposition method for separating the black mass yielded LiFePO₄ powders with higher carbon content. The powders obtained by burning the PVDF binder could be reused due to their higher electrochemical performance, including a specific capacity of 145 mAh g⁻¹ at 0.2C and 128 mAh g⁻¹ at 1C, with 80% capacity retention after 2000 charge/discharge cycles at 20C.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"28 ","pages":"Article 103647"},"PeriodicalIF":5.8,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148641060","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Magnetically recoverable ZnFe2O4 nanoparticles for visible-light-driven photo-Fenton degradation of textile dyes","authors":"Abhishek R. Bhapkar,&nbsp;Hozefa Dhila,&nbsp;Mohd Rehan Ansari,&nbsp;Pravin Walke,&nbsp;Shekhar Bhame","doi":"10.1016/j.rechem.2026.103650","DOIUrl":"10.1016/j.rechem.2026.103650","url":null,"abstract":"<div><div>In this work, we report the synthesis of magnetic zinc ferrite (ZnFe₂O₄, hereafter ZnFO) nanoparticles via a glycine-assisted solution combustion method and its subsequent evaluation as visible-light-driven photo-Fenton catalysts for the degradation of textile pollutants. The synthesized nanoparticles were comprehensively characterized to investigate their physicochemical and magnetic properties. The average crystallite size of nanoparticles was measured to be 13.89 nm using X-ray diffraction (XRD) analysis, while a narrow band gap of 2.0 eV was estimated through UV–visible (UV–Vis) spectroscopy which indicates good visible-light absorption. Photoluminescence (PL) spectroscopy provided insights into the charge carrier recombination behaviour, and Brunauer-Emmett-Teller (BET) analysis confirmed mesoporous characteristics of the nanoparticles. In addition, particle agglomeration was observed through Field Emission Scanning Electron Microscopy (FE-SEM) images, while Energy-Dispersive X-ray Spectroscopy (EDX) confirmed the existence of Zn, Fe, and O elements without any impurities. Moreover, the magnetic properties of the synthesized ZnFO nanoparticles were investigated using Vibrating Sample Magnetometry (VSM), which revealed weak ferromagnetic behaviour at room temperature. The photocatalytic performance of ZnFO was investigated under visible-light irradiation, with the photo-Fenton route exhibiting superior degradation efficiency against textile pollutants. Under optimized reaction parameters at neutral pH (pH 7), ZnFO nanoparticles achieved 97.6% degradation of 5 ppm methylene blue (MB) within 90 min and complete degradation of 5 ppm indigo carmine (IC) within 40 min. Furthermore, degradation efficiencies of 47.60% for textile industrial effluent (IE) and 63.77% for mixed dye solutions were obtained after 120 min of irradiation. The degradation kinetics followed a pseudo-first-order model (R² &gt; 0.95), and the catalyst retained more than 90% of its initial activity after five consecutive cycles, demonstrating excellent stability and reusability. Radical scavenging experiments identified hydroxyl radicals (^•OH) and electrons as the primary reactive species responsible for the enhanced photo-Fenton degradation process. These findings demonstrate that ZnFO nanoparticles are promising, magnetically recoverable photocatalysts for the efficient treatment of dye-contaminated wastewater.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"28 ","pages":"Article 103650"},"PeriodicalIF":5.8,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148641066","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Purification, characterization of two novel water-solubility polysaccharides from Sagittaria trifolia L. tuber and its beneficial effects on lens epithelial cells","authors":"Man-yu Zhou,&nbsp;Jian-bin Sun,&nbsp;Mei-mei Cui,&nbsp;Yang Jiang,&nbsp;Jia-zhen Ding,&nbsp;Xin-wei Zhao,&nbsp;Jing-xuan Wang,&nbsp;Qi-qun Zeng,&nbsp;Yan Liao","doi":"10.1016/j.rechem.2026.103640","DOIUrl":"10.1016/j.rechem.2026.103640","url":null,"abstract":"<div><div>This study aimed to isolate, characterize, and evaluate the biological activities of polysaccharides from <em>Sagittaria trifolia</em> L. (STTP), with a focus on their potential mechanism against diabetic cataract. Two purified components, STTP2 and STTP3, were obtained. Structural characterization, including HPAEC-PAD, FT-IR, GC–MS, and NMR, revealed that both are α-linked polysaccharides with different monosaccharide compositions and linkage patterns; STTP3 exhibited a more complex structure than STTP2. In vitro antioxidant assays confirmed their potent free radical scavenging abilities. In a cellular model of advanced glycation end products (AGEs)-induced HLE-B3 cell injury, mimicking diabetic cataract pathology, both STTP2 and STTP3 pretreatment significantly enhanced cell viability and proliferation. Mechanistic investigations demonstrated that STTPs alleviated oxidative damage by reducing reactive oxygen species and malondialdehyde levels while boosting reduced glutathione and catalase activity. This antioxidant effect was linked to the activation of the Nrf2/NQO1/HO-1 signaling pathway. Furthermore, STTPs delayed cellular senescence by upregulating SIRT1/SIRT6 and downregulating p16, p21, and inhibited apoptosis by increasing the Bcl-2/Bax ratio and stabilizing mitochondrial membrane potential. Notably, STTP3 consistently showed superior protective effects compared to STTP2. These results suggest that STTP2 and STTP3, particularly STTP3, are promising natural agents for preventing diabetic cataract through multi-target mechanisms involving antioxidant, anti-senescence, and anti-apoptotic activities.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"28 ","pages":"Article 103640"},"PeriodicalIF":5.8,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148641795","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Cysteine derived N,S-doped carbon dots for corrosion inhibition of acid pickling carbon steel","authors":"Ping Yang,&nbsp;Jiangchuan Hu,&nbsp;Wenkang Jing,&nbsp;Beibei Wang,&nbsp;Xiao Wang,&nbsp;Junwei Yao,&nbsp;Xiulin Shu,&nbsp;Yinhua Cui,&nbsp;Hong Qi,&nbsp;Weihua Fan,&nbsp;Feng Wang,&nbsp;Xiaobao Xie","doi":"10.1016/j.rechem.2026.103627","DOIUrl":"10.1016/j.rechem.2026.103627","url":null,"abstract":"<div><div>Carbon steel is susceptible to corrosion during the pickling process, and adding corrosion inhibitors is an economically effective protective measure. This article describes the preparation of a novel N,S-doped carbon dots (CYS CDs) using cysteine as a precursor, which is used as a green corrosion inhibitor for 20# carbon steel in 1 mol/L HCl solution. The corrosion inhibition performance and mechanism were studied using a combination of weight loss method, electrochemical testing (electrochemical impedance spectroscopy, potentiodynamic polarization curve), and surface analysis techniques (scanning electron microscopy, X-ray photoelectron spectroscopy, contact angle measurement, three-dimensional microscope). The results indicate that CYS CDs can significantly slow down corrosion, and the corrosion inhibition efficiency increases with increasing concentration (the electrochemical corrosion inhibition efficiency reaches 94.0% at 0.2% concentration). Surface analysis showed that CYS CDs were successfully adsorbed onto the steel surface, forming a dense and hydrophobic protective layer. The mechanism of action is attributed to the physical barrier formed by carbon dot nanoparticles and the synergistic chemical adsorption between the N and S functional groups on the surface and the matrix iron. This study provides strong support for the development of environmentally friendly and efficient carbon dot corrosion inhibitors based on amino acids.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"28 ","pages":"Article 103627"},"PeriodicalIF":5.8,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148641061","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Predictive modeling, multi-layer evaluation, and intelligent optimization of water quality based on seasonal multivariate data and composite indices using advanced machine learning algorithms: The Mazlaqan River (Markazi Province, Iran)","authors":"Tayebeh Rasolevandi,&nbsp;Seyedeh Hadis Salamati Zaroon,&nbsp;Mahdiye Aghabak,&nbsp;Hossein Azarpira","doi":"10.1016/j.rechem.2026.103649","DOIUrl":"10.1016/j.rechem.2026.103649","url":null,"abstract":"<div><div>Water quality monitoring and management are critical for safeguarding public health and sustainable environmental management, especially given the complex seasonal and spatial variations in water resources. The objective of the present research is to determine the spatio-temporal dependency between water quality (surface water) and compare the composite indexes, SAR (Sodium Adsorption Ratio), NSFWQI (National Sanitation Foundation Water Quality Index) and IRWQIsc (Iranian Revised Water Quality Index for Surface Water) by multivariate statistics (MANOVA), partial correlation and sensitivity analysis. This study presents a 12-month monitoring of the Mazlaqan River (Markazi Province, Iran), assessing seasonal and spatial variations in surface water quality. Five sampling stations along the river, from upstream to downstream, were selected to capture comprehensive physicochemical and microbial parameters. This approach provides a detailed understanding of water quality dynamics across different seasons and locations. The statistical analyses revealed that Wilks' Lambda was 0.0618 (F = 24.30, <em>p</em> &lt; 0.0001), Pillai's Trace was 1.1758 (F = 9.45), Hotelling-Lawley Trace was 11.327 (F = 51.99), and Roy's Greatest Root was 10.979 (F = 161.02), confirming significant seasonal variations in water quality parameters. The SAR index fluctuated between 2 and 3, rising to about 3 during time periods 20 to 30, while the NSFWQI index decreased from approximately 80 to 74, and dissolved oxygen (DO) dropped from 8 mg/L to 6 mg/L. BOD₅ increased to around 7 mg/L in summer, and COD ranged between 10 and 16 mg/L. The first principal component (PC1) explained more than 60% of the variance in the data. Predictive models demonstrated high accuracy for SAR and reasonable accuracy for NSFWQI and IRWQIsc. SAR values across all samples ranged from 1.77 to 2.95, classified as low risk (S1). NSFWQI values ranged from 73.9 to 83.6 with a mean of about 78.4, categorized as “Good,” while IRWQIsc ranged from 73 to 83, categorized as “Very Good.” Furthermore, a strong negative correlation was observed between DO and microbial contamination Fecal Coliform (MPN/100 mL) with a coefficient of −0.54 (<em>p</em> = 8.81e-05), a high positive correlation between BOD₅ and Fecal Coliform (MPN/100 mL) with a coefficient of 0.68 (<em>p</em> = 9.78e-08), and a significant positive correlation between COD and Fecal Coliform (MPN/100 mL) with a coefficient of 0.61 (<em>p</em> = 3.84e-06). However, the indices are all acceptable to very good all year round (SAR in class S1 with low sodium hazard, NSFWQI in Good, and IRWQIsc in Very Good), which suggests that the system exhibits overall stability. The findings demonstrate the resilience of the water resources and the significance of some of the interventions during the summer to serve as inputs for machine learning-based and metaheuristic optimization models and actively control the water quality.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"28 ","pages":"Article 103649"},"PeriodicalIF":5.8,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148641065","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Dietary anthocyanin cyanidin inhibits dihydrofolate reductase and triggers ROS-mediated apoptosis in breast and colon cancer cells","authors":"Saurabh S. Saudar,&nbsp;Santosh S. Surana,&nbsp;Chandrashekhar D. Upasani","doi":"10.1016/j.rechem.2026.103584","DOIUrl":"10.1016/j.rechem.2026.103584","url":null,"abstract":"<div><h3>Objective</h3><div>To evaluate the dihydrofolate reductase inhibitory activity and anticancer properties of certain polyphenolic compounds such as cyanidin, delphinidin, formononetin, naringenin, and gallic acid by using an integrated in silico and in vitro study on human breast and colon cancer cells.</div></div><div><h3>Method</h3><div>For molecular docking studies, the compound was docked against the target protein DHFR (PDB ID: 1RX2) using the Maestro protocol in Schrödinger software to study the binding affinity and interaction pattern. Cytotoxicity studies were performed using the MTT assay in the cell lines MCF-7, MDA-MB-231, HCT-116, and HT-29. Mechanistic studies included Annexin V FITC/PI apoptosis assay, DCFH-DA-based intracellular ROS level estimation, Western blotting to study the expression of DHFR, and colony formation assay.</div></div><div><h3>Results</h3><div>The docking study showed the strong binding affinity of cyanidin (−9.721) to DHFR, except for the standard cocrystal. Among phytoconstituents, the lowest IC₅₀ values were observed for cyanidin in the in vitro study. The treatment showed significant increase in ROS and apoptosis in a dose-response manner (<em>p</em> &lt; 0.0001). Strong correlation was observed between ROS and apoptosis (<em>r</em> = 0.91). Western blot results showed significant downregulation of DHFR protein expression, especially in HCT-116 cells. Strong correlation was observed between DHFR and apoptosis (<em>r</em> = −0.88). Results showed significant inhibitory effect in colony formation.</div></div><div><h3>Conclusion</h3><div>The findings show that cyanidin has potent DHFR-targeting anticancer activity mediated by ROS-induced apoptosis and suppression of clonogenic survival. These findings emphasize the potential of polyphenolic compounds, such as cyanidin, as anticancer agents that target DHFR.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"28 ","pages":"Article 103584"},"PeriodicalIF":5.8,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148641796","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"MIL-53(Fe/Ti)-NH2-loaded nanofibers for photodegradation of DOX and 5-FU during visible light/PMS activation","authors":"Mohsen Haji abadi,&nbsp;Shahnaz Koushkbaghi,&nbsp;Fatemeh Parsaeifard,&nbsp;Leila Roshanfekr Rad,&nbsp;Hamta Arjmand Kermani,&nbsp;Majid Aliabadi,&nbsp;Mohammad Irani","doi":"10.1016/j.rechem.2026.103635","DOIUrl":"10.1016/j.rechem.2026.103635","url":null,"abstract":"<div><div>In the present study, MIL-53(Fe/Ti)-NH₂ bimetallic metal-organic frameworks (BMOFs) were incorporated into the polyacrylonitrile (PAN)/chitosan nanofibers. The functionality of the nanofibrous photocatalytic membrane was assessed as a peroxymonosulfate (PMS) activator to remove doxorubicin hydrochloride (DOX) and 5-fluorouracil (5-FU) from water. The photoluminescence spectra and transient photocurrent responses of the MIL-53 (Fe)-NH₂ MOFs and MIL-53 (Fe, Ti)-NH₂ BMOFs displayed a more efficient separation of photo-generated electron-hole pairs of MIL-53 (Fe, Ti)-NH₂ BMOFs. The BMOFs content of 4 wt%, pH of 7, and 2 mM PMS were optimal values for photocatalytic degradation of DOX and 5-FU using BMOFs-loaded nanofibrous membrane. The membrane composed of 4 wt% BMOFs attained the most effective degradation, resulting in the breakdown of 78.7% of the DOX and 81.2% of the 5-FU within 1 h. Upon the introduction of PMS and visible light irradiation, the permeation flux and rejection rate using 4 wt% BMOFs-loaded nanofibrous membrane for 5-FU and DOX increased, reaching 214.8 L.m⁻²h⁻¹Bar⁻¹and 91.3% for DOX solution and 227.2 L.m⁻²h⁻¹Bar⁻¹and 94.7% for 5-FU solution, after 1 h. The notable characteristics of the PAN/chitosan/MIL-53 (Fe, Ti)-NH₂ photocatalytic membrane, proved its effectiveness in the photodegradation of anticancer pharmaceuticals in water.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"28 ","pages":"Article 103635"},"PeriodicalIF":5.8,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148641799","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A novel method for selecting differential variables from the multi-step iterative PLS-DA model: application of the classification for sandalwood and agilawood","authors":"Biying Chen,&nbsp;Liying Cheng,&nbsp;Facheng Bai,&nbsp;Youzhen Tan,&nbsp;Shuan Zhu,&nbsp;Yunxia Tang,&nbsp;Xia Wu,&nbsp;Lifeng Han","doi":"10.1016/j.rechem.2026.103609","DOIUrl":"10.1016/j.rechem.2026.103609","url":null,"abstract":"<div><div>Partial least squares discriminant analysis (PLS-DA) is a widely established chemometric technique extensively applied in metabolomics and data fusion studies. However, the selection of differential variables from multi-step iterative PLS-DA remains challenging, which has constrained its broader application in data fusion. To address this issue, we proposed a novel method that backtracks original variables from latent variables (LVs) following multi-step iterative PLS-DA by leveraging explained variance and the rotation matrix. The proposed method was validated using two independent datasets, sandalwood and agilawood. Machine learning models constructed with the variables selected by the multi-step iterative PLS-DA demonstrated superior accuracy and robustness. The results indicated that our method can effectively identify differential variables from multi-step iterative PLS-DA. To the best of our knowledge, this was the first study to propose and validate a variable selection strategy specifically designed for multi-step iterative PLS-DA. The proposed approach was expected to be valuable not only in metabolomics analysis but also in the development and application of data fusion strategies.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"28 ","pages":"Article 103609"},"PeriodicalIF":5.8,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148641800","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synergistic and antagonistic effects of NaCl and process parameters in low-current-density sulfuric acid (H₂SO₄) anodizing of aluminum investigated through parametric study and random Forest modeling","authors":"Damián Peti,&nbsp;Patrik Fejko,&nbsp;Miroslav Gombár,&nbsp;Munish Gupta,&nbsp;Sergej Hloch","doi":"10.1016/j.rechem.2026.103636","DOIUrl":"10.1016/j.rechem.2026.103636","url":null,"abstract":"<div><div>The behavior of anodic aluminum oxide (AAO) under conventional anodizing conditions is well established; however, the combined influence of sodium chloride and key anodizing parameters at strictly controlled low current densities remains insufficiently described. To address this gap, a multi-parameter investigation was performed to analyze the synergistic and antagonistic effects of sulfuric acid concentration, sodium chloride concentration, anodizing time, electrolyte temperature, and applied voltage at three low current densities (<em>JA</em> = 0.1, 0.5 and 0.9 a·dm⁻²). A central composite design (CCD) was used to quantify linear, quadratic, and interaction effects across 44 experimental runs using EN AW 1050 a H24. The results confirmed strongly current-density-dependent behavior. At <em>JA</em> = 0.1 a·dm⁻², oxide growth was gradual and favoured controlled ionic migration. At <em>JA</em> = 0.5 a·dm⁻², a transition regime emerged in which oxide formation and field-assisted dissolution competed. At <em>JA</em> = 0.9 a·dm⁻², oxide thickening accelerated within the investigated low-current regime. Deposition time and sulfuric acid concentration were the dominant factors, while the effect of NaCl changed from beneficial conductivity enhancement under selected low-current conditions to chloride-assisted destabilization and localized dissolution under more aggressive parameter combinations. SEM and EDX were used to evaluate surface morphology and compositional stratification of the oxide layer. The SEM results are interpreted as evidence of morphological evolution and oxide-layer development; however, individual nanoscale pores or pore channels were not directly resolved and therefore were not quantified. EDX mapping and line-scan analysis provided qualitative support for an oxygen-enriched anodic film and a gradual transition toward the aluminum substrate. A random Forest model was developed to predict oxide thickness from the five input variables, achieving high accuracy (<em>R</em> = 0.9894 in training; <em>R</em> = 0.8372 in validation)</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"28 ","pages":"Article 103636"},"PeriodicalIF":5.8,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148640986","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}