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ENVIRONMENTAL SCIENCE & TECHNOLOGY · 2025 · IF 11.3

Predicting the Kinetics of Cu and Cd Release from Diverse Soil Dissolved Organic Matter: A Novel Hybrid Model Integrating Machine Learning with Mechanistic Kinetics Model

Qianting Ye,Rong Li,Bin Liang,Lanlan Zhu,Jiang Xiao,Zhenqing Shi

Kinetic release of trace metals from soil dissolved organic matter (DOM) to solution is the key process controlling the mobility and bioavailability of trace metals in soil environment. However, due to the complexity of soil DOM, predicting the reaction rates of trace metals with soil DOM from different sources remains challenging. In this study, we developed a novel hybrid model integrating machine learning with mechanistic kinetics model, which can quantitatively predict the release rates of Cu and Cd from diverse soil DOM based on their compositions and properties. Our model quantitatively demonstrated that the molecular compositions of DOM controlled metal release rates, which had more profound impact on Cu than Cd. Our modeling results also identified two key factors affecting metal release rates, in which high concentrations of Ca and Mg ions in DOM significantly decreased the release rates of Cu and Cd, and the reassociation reactions of metal ions with DOM became more significant with the release of metals from DOM. This work has provided a unified kinetic modeling framework combining both mechanistic and data-driven approaches, which offers a new perspective for developing predictive kinetics models and can be applied to different metals and DOM in dynamic environments.

CAS / MDL: 78922-04-0
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MOLECULES · 2022 ·Vol. 27 ·期 3 ·590 · IF 4.927

Comparison Studies on Several Ligands Used in Determination of Cd(II) in Rice by Flame Atomic Absorption Spectrometry after Ultrasound-Assisted Dispersive Liquid–Liquid Microextraction

Qian Sun,Xinyu Cui,Yanfeng Wang,Pingping Zhang,Wenjuan Lu

Ligands plays an important role in the extraction procedures for the determination of cadmium in rice samples by using flame atomic absorption spectrometry (FAAS). In the present study, comparative evaluation of 10 commercially available ligands for formation of Cd(II)-ligand complex and determination of cadmium in rice samples by ultrasound-assisted dispersive liquid–liquid microextraction (UADLLME) combined with FAAS was developed. Sodium diethyldithiocarbamate (DDTC) provided a high distribution coefficient as well as a good absorbance signal, therefore DDTC was used as a ligand in UADLLME. A low density and less toxic solvent, 1-heptanol, was used as the extraction solvent and ethanol was used as the disperser solvent. In addition, the experimental conditions of UADLLME were optimized in standard solution first and then applied in rice, such as the type and volume of extractant and dispersant, pH, extraction time, and temperature. Under the optimal experimental conditions, the detection limit (3σ) was 0.69 μg/L for Cd(II). The proposed method was applied for the determination of Cd(II) in three different rice samples (polished rice, brown rice, and glutinous rice), the recovery test was carried out, and the results ranged between 96.7 to 113.6%. The proposed method has the advantages of simplicity, low cost, and accurate and was successfully applied to analyze Cd(II) in rice.Keywords:ligands;rice;cadmium;dispersive liquid-liquid microextraction;flame atomic absorption spectrometry

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Nanoscale · 2017 ·Vol. 9 ·期 17 ·5467-5474 · IF 7.367

A Pt–Co3O4–CD electrocatalyst with enhanced electrocatalytic performance and resistance to CO poisoning achieved by carbon dots and Co3O4 for direct methanol fuel cells

Yue Sun,Yunjie Zhou,Cheng Zhu,Lulu Hu,Mumei Han,Aoqi Wang,Hui Huang,Yang Liu,Zhenhui Kang

Highly efficient electrocatalysts remain huge challenges in direct methanol fuel cells (DMFCs). Here, a Pt–Co3O4–CDs/C composite was fabricated as an anode electrocatalyst with low Pt content (12 wt%) by using carbon dots (CDs) and Co3O4 nanoparticles as building blocks. The Pt–Co3O4–CDs/C composite catalyst shows a significantly enhanced electrocatalytic activity (1393.3 mA mg−1 Pt), durability (over 4000 s) and CO-poisoning tolerance. The superior catalytic activity should be attributed to the synergistic effect of CDs, Pt and Co3O4. Furthermore, the Pt–Co3O4–CDs/C catalyst was integrated into a single cell, which exhibits a maximum power density of 45.6 mW cm−2, 1.7 times the cell based on the commercial 20 wt% Pt/C catalyst.

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ACTA PHYSICO-CHIMICA SINICA · 2025 · IF 13.5

Small changes, big differences: Modified KSCN flux route for one-pot synthesis of Cd vacancy-enriched MoS2/CdS and the enhanced photocatalytic H2 evolution performance

Yuge Fan,Xianliang Fu,Li Zhu,Man Xu

Low-temperature KSCN flux has been used for one-pot fabrication of decorated sulfide-based photocatalysts. However, the reaction system is actually short of S precursor, as it is determined by the decomposition of relatively stable KSCN, which may not be conducive to the production of high-performance catalysts. To this end, a modified KSCN flux route with a dosage of external S source was developed and used for the one-pot preparation of sulfide photocatalyst with 1% MoS 2 /CdS as the prototype. The results indicated that, compared with the sample (MC) prepared in conventional KSCN flux, a highly efficient sample enriched with seldom reported Cd vacancy (V Cd , MC-S) could be readily fabricated under the S 2− -rich environment. Furthermore, both the size of CdS and MoS 2 could be substantially reduced from μm to nm scale as more nuclei could be introduced in the flux, which leads to a few-layer MoS 2 that can be uniformly and tightly anchored on CdS with the average size of only ∼33 nm. Consequently, the resulting MC-S demonstrated an exceptional H 2 evolution activity of 15.01 mmol h −1 g −1 — a significant 6.5-fold improvement over its counterpart (MC) prepared through traditional KSCN flux. The high activity can be mainly ascribed to the introduction of V Cd and the close interface between small CdS and few-layer MoS 2 , which both benefit electron-hole separation. The preparation mechanism of the samples was tentatively compared and discussed from the difference in the nucleation and the development of crystals. We believe that this improved preparation method will also benefit the synthesis of other high-performance sulfide-based photocatalysts.

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JOURNAL OF COORDINATION CHEMISTRY · 2024 · IF 2.2

Zn(II), Cd(II), Mn(II), and Cu(II) complexes based on an imidazole derivative and carboxylic acids: synthesis, crystal structures, and DNA-binding properties

Ying Zhou,Xiao-Tong Song,Hui-Chao Guan,Shu-Mei Yue

In this investigation, six new metal complexes with 2-(pyridin-2-yl)benzo[d]imidazole (bpm) were synthesized and analyzed by single-crystal X-ray diffraction (XRD), including catena-bis[(µ-2,2-bis(4-carobxyphenyl)hexafluoropropane)-(2-(pyidin-2-yl)-1H-benzimidazole)-aqua-zinc] (1), catena-[(µ-2,2-bis(4-carobxyphenyl)hexafluoropropane)-(2-(pyidin-2-yl)-1H-benzimidazole)-aqua-cadmium] (2), aqua-[2,2-bis(4-carobxyphenyl)hexafluoropropane]-bis[2-(pyridin-2-yl)-1H-benzimidazole]-manganese (3), μ-[2-nitrobenzene-1,4-dicarboxylato]-μ-[2-nitrobenzene-1,4-dicarboxylato]-bis[2-(pyridin-2-yl)-1H-benzimidazole]-di-zinc (4), catena-[bis(µ-2-nitrobenzene-1,4-dicarboxylato)-diaqua-bis(2-(pyridin-2-yl)-1H-benzimidazole)-di-cadmium] (5), aqua-[pyridine-2,6-dicarboxylato]-[2-(pyridin-2-yl)-1H-benzimidazole]-copper hydrate (6) (H2hfipbb = 2,2-bis(4-carboxyphenyl)hexafluoropropane, H2nbdc acid = Nitroterephthalic acid, and H2pda = 2,6-pyridinedicarboxylic acid). Complex 1 crystallized in a monoclinic system with space group P21/n; 2 crystallized in a monoclinic system with space group C2/c; 3 crystallized in an orthorhombic system with space group Pna21; 5 crystallized in a monoclinic system with space group P21/c; 4 and 6 crystallized in triclinic systems with space group P-1. The DNA-binding modes of the complexes were investigated by several analysis methods (e.g. viscosity analysis, circular dichroism spectroscopy, fluorescent spectroscopic analysis, as well as UV spectroscopic analysis). Complexes 1-6 bind to calf thymus DNA via an intercalative mode. The results of this study provide insights into the mechanism of DNA binding and provide a basis for rationally designing new powerful reagents for DNA detection and targeting.

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DESALINATION · 2025 · IF 9.8

Synergistic valorization of red mud and spent coffee grounds via one-step hydrothermal carbonization for high-efficiency Pb(II) and Cd(II) removal from wastewater

Yuting Cui,Yue Zhou,Mingqian Cheng,Wei Fang,Yaoling Wang,Chao Chen,Tingting Liu,Bin Li,Zewei Liu

The escalating contamination of water resources by toxic heavy metals necessitates sustainable remediation strategies. This study presents a novel adsorbent, RHC-180/0.5, synthesized via a one-step hydrothermal carbonization under mild conditions, utilizing red mud (RM) and spent coffee grounds (SCG) as raw materials. The biopolymers in SCG, including cellulose, hemicellulose, and lignin, transformed into hydroxyl, carboxyl, and phenolic groups, enhancing the material's adsorption capacity. Batch adsorption experiments showed optimal performance under alkaline conditions. To minimize precipitation interference, the adsorption mechanism was further investigated at pH = 6. Pseudo-second-order kinetics and Freundlich isotherm models indicated chemical adsorption and heterogeneous multilayer adsorption, respectively. Simultaneously, the Langmuir model yielded maximum theoretical adsorption capacities of 302.33 mg/g and 154.97 mg/g for Pb(II) and Cd(II), respectively, confirming the excellent adsorption performance of RHC-180/0.5. Intraparticle diffusion model analysis showed that surface diffusion dominated in the three-phase adsorption process. Thermodynamic analysis confirmed that the adsorption process was endothermic. Spectroscopic analysis validated the roles of chemical precipitation, ion exchange, and cation-π interactions, surface complexation, and redox reactions in the adsorption mechanism. At pH = 6, RHC-180/0.5 retained approximately 80 % of its initial removal efficiency after ten regeneration cycles, demonstrating excellent stability and reusability. This work highlights a sustainable, cost-effective approach to converting agricultural and industrial waste into high-performance adsorbents for heavy metal-contaminated wastewater treatment.

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ANALYTICAL LETTERS · 2025 · IF 1.8

Electrochemical Determination of Cd, Cu, Pb, and Hg in Water and Food Using a Glassy Carbon Electrode Modified with Metal-Organic Framework, Polydiallyldimethylammonium, and Polydopamine

Kong Weiheng,Zhu Haitao,Cheng Xingwang,Wang Yu,Song Wei,Zhou Dianbing,Fu Yan,Yu Xiaofeng,Wu Qiong,Han Fang

A functionalized Zr-based metal–organic framework (MOF) was synthesized using UiO-66 as the framework, polydiallyldimethylammonium (PDDA) as the interfacial modifier, and polydopamine (PDA) as the functionalizing agent through a straightforward one-pot hydrothermal reaction. The material underwent characterization through X-ray diffraction to determine its crystal structure, scanning electron microscopy and transmission electron microscopy to analyze its surface morphology and microstructure, and X-ray photoelectron spectroscopy to evaluate its elemental oxidation states. These analyses revealed that UiO-66-PDDA-PDA displayed well-dispersed PDA and an abundance of functionalized hydroxyl and amino groups. Utilizing this innovative functionalized MOF material, an electrochemical sensor was developed based on a UiO-66-PDDA-PDA-modified glassy carbon electrode for the simultaneous determination of Cd2+, Cu2+, Pb2+, and Hg2+. The fabricated electrochemical sensor exhibited excellent selectivity and rapid response to microgram levels of the mentioned heavy metal ions in tea, water, and dairy products using cyclic voltammetry. The sensor demonstrated remarkably low detection limits and stable relative standard deviations (RSDs) for the four heavy-metal ions. Furthermore, the electrochemical properties and applications of the modified electrode were investigated by optimizing operational parameters such as pH, deposition potential, and deposition time to improve the detection of trace ions. This approach offers a rapid screening method for inspectors to verify sample compliance.

CAS / MDL: 10026-11-6 10312-55-7
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INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES · 2026 ·Vol. 27 ·期 20 ·8998 · IF 5.6

Chitosan-Coated Calcium Alginate Microspheres Loaded with Alpha-Lipoic Acid/2-HP-β-CD Inclusion Complexes Enhance Aqueous Solubility and Enable pH-Responsive Intestinal Release

Yu Cui,Shiya Huang,Yeming Fu,Zihao Zhou,Xiaowen Sun,Huadong Liu,Yuhong Lai

Alpha-lipoic acid (ALA) exhibits antioxidant and potential cardiovascular protective effects, but its insufficient stability in acidic environments and poor water solubility limit its oral delivery applications. In this study, the stability of lipoic acid in acidic environments was first evaluated through acid treatment combined with mass spectrometry analysis. Subsequently, 2-hydroxypropyl-β-cyclodextrin (2-HP-β-CD) and ALA were used to prepare lipoic acid inclusion complexes, which were characterized by phase solubility curves and X-ray diffraction (XRD). The inclusion complexes were further loaded into calcium alginate microspheres, and the properties of the microspheres were evaluated by scanning electron microscopy (SEM), morphological observation under different pH conditions, swelling ratio, and in vitro release experiments. Following acid treatment, the liquid chromatography–mass spectrometry (LC-MS) response of original ALA decreased, suggesting a reduction in detectable original ALA. The inclusion with 2-HP-β-CD significantly improved the solubility of lipoic acid and altered its crystalline characteristics. The inclusion complex-loaded calcium alginate microspheres exhibit a relatively intact microstructure, display distinct morphological changes and swelling behaviors under different pH conditions, and achieve pH-dependent release. This system may serve as a potential oral delivery platform for improving the aqueous dispersibility of ALA and promoting pH-responsive release under simulated intestinal conditions.

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Journal of Food Measurement and Characterization · 2026 · IF 3.6

Influence of ultrasound treatment time on the loading capacity, solubility, stability and in vitro release of ferulic acid @β-CD modified debranched rice starch inclusion complexes

Chen Linlin,Yu Xiao,Li Wei,Zhang Haipeng,Zhang Sicong,Xin Jiaying,Zhang Na

Ferulic acid exists in nature mainly in the bound state in plant cell walls and is found in grains, fruits, vegetables, and Chinese herb.FA has a wide range of biological activities. However, the low stability and water solubility of FA limit its bioavailability. This has led to the encapsulation of FA to improve its bioavailability. This study prepared the binary polysaccharide-based carrier β-cyclodextrin/debranched rice starch (β-CD/DRS) by ultrasonic self-assembly. The particle size of β-CD/DRS was 107.23 ± 2.14 nm with a PDI index of 0.311 ± 0.075, which is affected by ultrasound time. The ternary inclusion complex of FA@β-cyclodextrin/debranched starch (FA@β-CD/DRS) was synthesized by the co-deposition method; the encapsulation and loading rate of FA were 89.32 ± 2.53% and 7.48 ± 0.54%, respectively. The structures of the ternary inclusions were analyzed by SEM, FT-IR, XRD, and DSC. The β-CD/DRS assembled using different ultrasound times modulated the FA@β-CD/DRS properties after deposition. The results showed that the inclusion compound was 1.22 times more photostable and 1.44 times more thermostable than FA. In the simulated gastrointestinal tract, the optimal in vitro release kinetics model was a first-order kinetic model, which was affected by pH. At pH 8.0, the cumulative release of ferulic acid was higher. The inclusion complex can continuously release ferulic acid, achieving a sustained-release effect, and its solubility in water is 3.9 mg/mL, which is approximately six times that of ferulic acid. In summary, the use of binary polysaccharide-based vector encapsulation can provide a more efficient method for the stabilization and delivery of phenolic acids. Graphical

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JOURNAL OF LUMINESCENCE · 2022 · IF 4.171

Enhancement and broadening of near infrared photoluminescence in Ag2X (X= S, Se) quantum dots via Cd doping for mini light-emitting diodes towads non-invasive bioimaging

Liping Wang,Xinyi Cao,Zaiqi Liu,Yuqiong Wang,Puxian Xiong,Wen Gao,Bo Tang

Exploring excellent near infrared-II (NIR-II) emitting materials is desirable for the advancement of high quality bioimaging, in virtue of the lower scattering, deep penetration and high sensitive of biological components in the second optical transmission window. Colloidal Ag 2 X (X = S, Se) nanocrystals exhibit tunable NIR photoluminescence in the second NIR region. However, the lack of highly efficient broadband NIR emitting Ag 2 X (X = S, Se) nanocrystals limits their spectroscopy applications. Herein, cadmium (Cd) doped Ag 2 X (X = S, Se) nanocrystals were prepared through a facile hydrothermal method at room temperature . The NIR luminescence was efficiently enhanced through controllable doping a little amount of Cd ions into the Ag 2 X (X = S, Se) quantum dots (QDs). Simultaneously, the great broadening of NIR emission was achieved in the Cd doped Ag 2 Se QDs, and the maximum full width at half maximum could reach up to 530 nm. Following the general principles of photoluminescence light-emitting diode (LED) devices, the fabricated NIR mini LEDs) light sources based on Cd doped Ag 2 Se QDs exhibited broadband NIR electroluminescence and superior optoelectronic stability, and were successfully employed for clear vessel imaging. The works proves the feasibility of NIR mini LEDs in non-invasive bioimaging, and paves way for the miniaturized broadband NIR light sources.

CAS / MDL: 78-10-4
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ANALYTICA CHIMICA ACTA · 2022 · IF 6.911

Simultaneous measurements of Cr, Cd, Hg and Pb species in ng L−1 levels by interfacing high performance liquid chromatography and inductively coupled plasma mass spectrometry

Yihuan Song,Feng Guo,Pingxiu Zeng,Jinhua Liu,Yuanchao Wang,Heyong Cheng

Toxicity, mobility, bioavailability and biofunctions of chromium, cadmium, mercury and lead are heavily dependent upon their specific chemical forms, leading to a high demand to metal speciation analysis rather than total quantification. Simultaneous speciation analysis of multiple metal(loid)s is attractive to a large sample capacity containing unstable analytes due to its economic and environmental advantages over the conventional single elemental strategies. In this work, an analytical method integrating online solid phase extraction into high performance liquid chromatography interfaced with inductively coupled plasma mass spectrometry (ICP-MS) to simultaneously preconcentrate and quantify Cr, Cd, Hg and Pb forms in pg L −1 levels in water was developed. Cr(III + VI), Cd(II), Hg(II), Pb(II), methylmercury (MeHg), ethylmercury (EtHg), and trimethyl (TML) and triethyl lead (TEL) were captured by the C 18 adsorbent (equilibrated with 10 mL of 1.0 mM 2-hydroxyethanethiol at 10 mL min −1 ) and eluted by mobile phase (5.0 mM Cys at pH 2.0), then completely separated on the C 18 column within 8.0 min and eventually determined by ICP-MS. Low limits of detection (0.001–0.007 ng L −1 ) and quantification (0.003–0.023 ng L −1 ), good relative standard deviations (<4%) and high enrichment factors (827–2656 folds) were obtained with good linearities. Three reference materials of total cadmium (GBW08602), total mercury (GBW08603) and total lead (GBW08601) in water were analyzed by the developed method to validate the accuracy with good agreement with certified values and satisfactory recoveries (92–100%). This method was proved feasible by the determination of Cr, Cd, Hg and Pb compounds in drinking water , river water, pond water and tap water .

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MICROCHEMICAL JOURNAL · 2023 · IF 4.8

Development of fluorescence sensor and paper chips based on EDTA etched-CdTe@CdS QDs for the selective and sensitive detection of Cd(II) in rice samples

Hui Cao,Xiner Ding,Zixin Chen,Jialuo Mao,Xiuna Ma,Ziqi Wei,Tai Ye,Min Yuan,Jinsong Yu,Xiuxiu Wu,Fengqin Yin,Fei Xu

EDTA-etched CdTe@CdS QDs were used as the specific recognition element and signal probe of a fluorescence sensor or paper chip for the highly sensitive detection of Cd(II) with an electronic eye device as readout. The results showed that the CdTe@CdS QDs were successfully synthesized with a typical core–shell structure. Under the optimum conditions, the EDTA-etched CdTe@CdS QDs sensor achieved the sensitive detection of Cd(II) with a detection limit of 0.092 μM and a concentration range of 0.44–6.67 μM. The paper chips based on the EDTA-etched CdTe@CdS QDs sensor had a visual cut-off value of 0.44 μM with a short detection time (<15 min). The proposed method also exhibited excellent stability, high specificity, and good recovery for Cd(II) in real rice samples. These results suggested that the EDTA-etched CdTe@CdS QDs provide a promising platform for on-site and visual detection of Cd(II) in rice samples.

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