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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS · 2025 · IF 5.4

Development and performance evaluation of a magnetic self-assembled electrochemical biosensor based on α-Fe2O3/Fe3O4 heterogeneous nanorods for supersensitive detection of KRAS

Qingxiang Wang,Hezhong Ouyang,Wentao Li,Hexiao Zhang,Aolin He,Ruijiang Liu

The Kirsten Rat Sarcoma Viral Oncogene (KRAS) represents one of the most frequently mutated oncogenes in a variety of malignant tumors, including non-small cell lung cancer (NSCLC), colorectal cancer (CRC), and pancreatic ductal adenocarcinoma (PDAC). Therefore, it is regarded as a pivotal tumor marker, and the detection of it holds immense significance in the realm of tumor prevention, diagnosis, and disease monitoring. In this project, an α-Fe 2 O 3 /Fe 3 O 4 @Au-DNA/BSA probe was progressively constructed to capture KRAS, and the binding probe was immobilized onto the surface of magnetic glass carbon electrodes (MGCE) through magnetic self-assembly for detection purposes. The fabrication process was validated by changes observed in cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) data. Differential pulse voltammetry (DPV) was employed to optimize crucial experimental conditions and analyze biosensor performance. This condition optimization resulted in enhanced sensitivity of the biosensor, leading to improved linearity of data obtained. The limit of detection (LOD) achieved was 1.93 pM, with a limit of quantification (LOQ) at 5.84 pM, and a linear range ranging from 10 pM to 1 μM. Additionally, the stability (the current maintaining stability during the initial eight days), reproducibility (RSD = 2.47 %), selectivity, and real sample analysis (recovery rates ranging from 95.26 % to 109.80 %, RSD ≤ 1.22 %) were found to be favorable. These findings suggest promising prospects for practical applications of this biosensor.

CAS / MDL: 51805-45-9
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CHEMISTRY OF MATERIALS · 2024 · IF 7.2

Edge-Sharing Tetrahedra Realizing Superior Birefringence and High Deep-Ultraviolet Transmittance in α-Be3(H2O)2(PO4)2 Crystal Synthesized by Mild Chemistry

Yi-Gang Chen,Xiwei Hu,Yao Guo,Sangen Zhao,Bingbing Zhang,Xia Zhang,Xian-Ming Zhang

A challenging topic for tetrahedra-based deep-ultraviolet (deep-UV, wavelength λ < 200 nm) birefringence crystals is how to generate both large birefringence and high deep-UV transmittance. Edge-sharing tetrahedra can induce large structural distortion and thus could produce strong optical polarization anisotropy to realize the challenging topic, but edge-sharing tetrahedra frequently require extreme synthesis conditions to overcome large repulsion interaction between tetrahedra. Herein, under mild hydrothermal conditions, an α-Be3(H2O)2(PO4)2 crystal with edge-sharing BeO4 and its polymorph β-Be3(H2O)2(PO4)2 with common corner-sharing BeO4 were synthesized, both featuring a three-dimensional stable structure constructed by BeO4, BeO2(H2O)2, and PO4 tetrahedral units. Remarkably, α-Be3(H2O)2(PO4)2 manifests superior birefringence of 0.101 and high deep-UV transmittance of 167 nm, with the largest birefringent quality factor (BQF) of 0.75 among the known tetrahedra-based deep-UV materials. By contrast, β-Be3(H2O)2(PO4)2 manifests a small birefringence of 0.019 and 160 nm deep-UV transmittance, with only a mediocre BQF of 0.15. Further, computational investigations reveal that edge-sharing BeO4 makes a dominant contribution to the great birefringence. This study could push the synthesis of edge-sharing-tetrahedra materials and offers an alternative strategy toward designing high-performance tetrahedra-based deep-UV birefringence materials.

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JOURNAL OF ETHNOPHARMACOLOGY · 2024 · IF 4.8

Identifying key components from Melastoma dodecandrum in TNF-α-induced osteoblast injury model through a combination of cell membrane chromatography and mass spectrometry

Jiale Mao,Houxing Lei,Pingcui Xu,Shuang Liu,Jiwang Zhou,Mingrong Mei,Nani Wang,Xiaoqin Zhang

Ethnopharmacological relevance Melastoma dodecandrum (MD), a traditional ethnomedicine, has been widely used for the treatment of fractures, osteoarthritis, and osteoporosis due to its remarkable anti-inflammatory activity. However, the specific active components responsible for its therapeutic effects on orthopedic conditions remain unidentified. Aim of the study This study aimed to screen and identify key active components in MD using a combination of cell membrane chromatography and mass spectrometry, followed by cellular validation. Materials and methods A TNF-α-induced osteoblast injury model and an osteoblast membrane chromatography screening system were established to select and identify chemical components of MD that directly act on osteoblasts. The protective effects of MD on osteoblasts were assessed by evaluating cell viability, alkaline phosphatase (ALP) activity, cell mineralization and the expression of osteogenesis-related proteins OCN, RUNX2, and the TNF-α receptor protein TNFR1. Validation of the activity of individual components was also conducted. Results MD significantly improved the viability of osteoblasts under TNF-α-induced injury, enhanced ALP activity, stimulated the expression of OCN and RUNX2 proteins, and decreased the expression of TNFR1. Cell membrane chromatography screening identified 32 chemical components, including 21 flavonoids, 6 organic acids, 2 phenylpropanoids, 2 terpenes, and 1 nucleotide. Molecular docking revealed that isovitexin could bind to the specific receptor TNFR1 on the cell membrane. Furthermore, cellular validation demonstrated that isovitexin significantly protected osteoblasts. Conclusions MD and its pharmacologically active component, isovitexin, exhibit protective effects against TNF-α-induced inflammatory injury in osteoblasts, laying a solid foundation for future drug development.

CAS / MDL: 32222-06-3
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Food & Function · 2024 · IF 5.1

Inhibition of α-glucosidase activity and intestinal glucose transport to assess in vivo anti-hyperglycemia potential of dodecyl-acylated phlorizin and polydatin derivatives

Zhengming Xu,Kseniya Hileuskaya,Aliaksandr Kraskouski,Yujiao Yang,Zhe Huang,Zhengang Zhao

A diet containing natural active compounds that can inhibit the hydrolytic activity of α-glucosidase on carbohydrates and intestinal glucose absorption is an effective means of controlling postprandial hyperglycemia. Phlorizin and polydatin as phenolic glycosides had a high affinity to the catalytic site of α-glucosidase, but exhibited unsatisfactory competitive inhibitory capacity, with IC50 of 0.97 and > 2 mM, respectively. However, dodecyl-acylated derivatives of phlorizin and polydatin exerted α-glucosidase inhibitory capacity, with IC50 of 55.10 and 70.95 µM, respectively, which were greatly enhanced and much stronger than that of acarbose with IC50 of 2.46 mM. Both dodecyl phlorizin and dodecyl polydatin reduced the catalytic ability of α-glucosidase by reversible noncompetitive and uncompetitive mixed inhibition, which bind noncovalently to the allosteric site 2 through hydrogen bonds and hydrophobic interactions, thereby inducing the secondary structure unfolding and intrinsic fluorescence quenching of α-glucosidase. Confocal microscopy detection visually showed the significant inhibitory effects on FITC-labeled glucose uptake in intestinal Caco-2 cells by phlorizin, polydatin, dodecyl phlorizin and dodecyl polydatin. In addition, based on the differentiated Caco-2 cell monolayer model, dodecyl phlorizin and dodecyl polydatin suppressed intestinal glucose transport more effectively than phlorizin and polydatin, suggesting that they were promising in vivo hypoglycemic active compounds.

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LANGMUIR · 2024 · IF 3.7

Improvement of the Abrasion and Corrosion Resistance of a Waterborne Epoxy Coating by α-ZrP@PTA-Ce(III) with Dual Corrosion Inhibition Effects

Wei Ren,Qiuying Gao,Yujie Guo,Changhua Li,Xiaoyu Mao,Haijiao Sun,Yi He,Yang Bai

The introduction of poly(tannic acid) (PTA) and cerium ion [Ce(III)] on the surface of α-zirconium phosphate (α-ZrP) endowed the α-ZrP@PTA-Ce(III)/waterborne epoxy composite coating with enhanced corrosion protection and wear resistance performances. The successful preparation of α-ZrP@PTA-Ce(III) was confirmed through X-ray diffraction, X-ray photoelectron spectroscopy, and Fourier transform infrared spectra. PTA improved the compatibility between α-ZrP@PTA-Ce(III) and the waterborne epoxy resin due to the presence of organic groups from tannic acid. The wear resistance test indicated that the incorporation of α-ZrP@PTA-Ce(III) effectively reduced the coefficient of friction and the wear rate. Electrochemical impedance spectroscopy was used to analyze the corrosion protection performance of unbroken coatings and the self-healing ability of scratched coatings. The incorporation of α-ZrP@PTA-Ce(III) improved the protection performace distinctly. In addition, α-ZrP@PTA-Ce(III) endowed the composite coating with dual corrosion inhibition effects, originating from the PTA film, to prevent the penetration of corrosive media and a dense film that came from the Ce(III) cation. The waterborne epoxy system with enhanced corrosion and wear resistance in this paper broadens the application of α-ZrP.

CAS / MDL: 1401-55-4
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FOOD HYDROCOLLOIDS · 2024 · IF 11

Influences of human milk proteins on the release of human milk odors: Non-covalent interactions between α-lactalbumin and key odor skeleton compounds

Mingguang Yu,Liang Zhuang,Qinggang Xie,Ting Li,Huanlu Song,Lijin Wang,Kaifeng Li,Shilong Jiang,Yongjiu Zhang,Chengdong Zheng

Human milk (HM) provides optimal nutrition for infants, but infant formula (IF) serves as a potential alternative to HM when breastfeeding is not an option. However, IF possesses a more intense aroma than HM, and it is often challenging to reduce this disparity due to its stringent production regulations. Therefore, investigating the interaction between HM proteins and odor molecules is essential for comprehending the distinct odor characteristics of HM and guiding improvements in IF to mimic the aroma of HM. This research aims to characterize the HM odor and explore the influence of HM α -lactalbumin (HMLB) on the release of HM odor skeleton compounds (OSC) using a combination of computer simulation, human perceptions, and instrumental analyses. A total of 20 OSCs were identified. Notably, the release of most of these compounds was negatively correlated with the HM protein content, with the strongest negative correlations being observed for hexanal , nonanal , and decanal (|R| ≥ 0.7, P  < 0.01). The molecular docking simulations demonstrated that HMLB inhibited the volatilization of hexanal , nonanal , and decanal, thereby increasing the odor threshold of these odor compounds (61.94 %, 241.5 %, and 198.6 %). This inhibition was mainly achieved through the formation of hydrogen bonding and hydrophobic interactions, a finding corroborated by multi-spectroscopic analysis. Overall, the experimental results provide valuable insights into the odor mechanism of HM and contribute to the development of IF that mimics the HM odor.

CAS / MDL: 1341200-45-0
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FOOD CHEMISTRY · 2025 · IF 9.8

Modulation of protein glutaminase α-helix and disulfide bonds in a sunflower pollen microgel microenvironment: A strategy to enhance enzyme activity and stability

Shangwen Chen,Caiyan Tao,Yawen Huang,Ze Zhao,Song Miao,Dengfeng Peng,Yashu Chen,Bin Zhou,Ziyu Deng,Qianchun Deng

Protein glutaminase (PGase) can improve plant protein solubility, but its activity tends to decline under the influence of external factors. Here, we developed a novel PGase-stabilizing agent (sunflower pollen microgel, SPMG) and investigated the mechanism for its stabilizing effect on PGase. Alkali treatment could regulate the physicochemical microenvironment of SPMG, and its ability to stabilize PGase declined with prolonged treatment time. SPMG increased PGase activity by a maximum of 49.24 %, while enhanced its storage stability by 30.61 %, 21.64 %, and 26.00 % at 4 °C, 25 °C, and 37 °C, respectively. SPMG improved PGase properties through hydrophobic interaction, resulting in the burying of inner hydrophobic groups and enhancement of intermolecular hydrogen bonding, which promoted the α-helix content from 23.28 % to 26.19 %. Additionally, these interactions facilitated the sulfhydryl-disulfide bond exchange reaction between PGase molecules, significantly increasing the disulfide bond content by nearly 80 %. This compact structure ultimately enhanced the activity and stability of PGase.

CAS / MDL: 1898-66-4
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FUEL · 2024 · IF 6.7

Catalytic hydroconversion of aryl ethers to polycyclic alkanes over Ni@MCM-41/β composite zeolite: Aromatic α-carbon activation and hydrogen transfer mechanisms

Guang-Hui Liu,Wen-Ao Shi,Jun Li,Han Wang,Ai-Min Wang,Yu-Hong Kang,Yong Gao,Ni Bai,Jie Kang,Chen Shi,Xian-Yong Wei

To produce high-density liquid fuels from lignite, a novel Ni-based bifunctional MCM-41/ β composite zeolite (Ni@ M / β ) is reported for the catalytic hydroconversion (CHC) of lignite-derived aryl ethers to high-yield polycyclic alkanes (PCAs). Ni@ M / β has a three-dimensional channel-type hierarchical porous texture with β as the core and MCM-41 as the shell. Stable Brønsted/Lewis acid sites and abundant internal/inter-zeolite defects also effectively promote the CHC of aryl ethers to PCAs. Under optimal conditions (5 MPa initial H 2 pressure and 160 °C), selectivities of 2-(benzyloxy)naphthalene (BON) and benzyloxybenzene derived PCAs are as high as 76.0 and 90.5 %, respectively, with dimers and trimers dominating. DFT calculation based on electrostatic potential distribution on the van der Waals surface and Mulliken charge distribution of BON and derived oxygenated monomers shows that aromatic intermediates with >C aromatic OH have multiple accessible sites and are easy to bind with cation/radical fragments. Therefore, it is speculated that PCAs are mainly derived from C-C coupling induced by cation/radical fragments after the activation of aromatic α -carbon. In addition, the activation of H 2 to H + , H · , δ+ H ··· H δ- , and H ··· H is mainly attributed to the strong Ni- M / β interaction and abundant defects. The whole CHC process is triggered mainly by the adsorption of H + released by Ni@ M / β at O sites of aryl ethers, and >C aliphatic -O- bridged bond cleavage is dominant. During this period, benzyl cation/radical produced by >C-O- bond cleavage and aromatic α -carbon activation (mainly) is coupled/reformed with adjacent aromatic fragments into corresponding polymers with non-oxygen bridged bonds, which are more easily converted to PCAs. This polycrystalline composite strategy improves the accessibility of large-sized molecules to active centers, and then increases the yields of PCAs, which is attractive for the clean and efficient conversion of lignite-derived oils to high-density liquid fuels.

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Food Bioscience · 2024 · IF 4.8

The fine structural changes of phenolic hydroxyl groups of cinnamic acid and its derivatives affects their inhibition mechanism and interaction with α-glucosidase

Xiaoqin Pan,Haoxu Guo,Xianling Lan,Shan Xiao,Jihui Wang,Yujia Liu,Yanxue Cai

Cinnamic acid (CCA), p-coumaric acid (PCA), and caffeic acid (CA) are natural phenolic compounds and extensively utilized in the food industry. PCA and CA are both derivatives of CCA and share comparable molecular structures. In this study, the inhibitory mechanisms of CCA, PCA, and CA on α-glucosidase was investigated by employing inhibition kinetics and molecular docking analyses. Our results revealed that CCA (IC 50  = 6.12 ± 0.056 mM) and CA (IC 50  = 2.02 ± 0.083 mM) exhibited mixed-type inhibition, while PCA (IC 50  = 3.82 ± 0.095 mM) exhibited non-competitive inhibition. The intermolecular energy values of CCA, PCA, and CA with α-glucosidase were determined to be −7.11, −7.94, and −8.14 kcal/mol, respectively, indicating their binding to α-glucosidase via hydrophobic interactions and hydrogen bonding, among which CA has the greatest binding ability. Fluorescence quenching results and circular dichroism (CD) spectra further confirmed the higher affinity of CA to α-glucosidase than that of CCA and PCA. These outcomes shed light on the importance of molecular structure differences in α-glucosidase inhibition and highlight the potential scope for developing low-glycemic-index functional foods.

CAS / MDL: 331-39-5
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Journal of Environmental Chemical Engineering · 2024 · IF 7.4

Synergistic adsorption-photocatalysis effect of α-Fe2O3-loaded acyl chloride-covalent organic framework (AC-COF) @MIL-101 porous composites for boosted tetracycline removal

Yingjie Guo,Jiayi Yan,Zan Chen,Cuijia Duan,Claudia Li,Yinhui Li,Sibudjing Kawi

The tendency of small-sized covalent organic framework (COF) nanoparticles to easily agglomerate, and the propensity of photo-generated carriers in α -Fe 2 O 3 to recombine pose challenges in the efficient removal of tetracycline (TC) through adsorption-photocatalysis synergy. This study addresses these challenges by introducing MIL-101, known for its excellent chemical stability and large specific surface area. The amino functional group facilitates the in-situ growth of acyl chloride-covalent organic framework (AC-COF) on the surface of MIL-101, resulting in the fabrication of AC-COF@MIL-101 with a core-shell structure. Loading α -Fe 2 O 3 through structural regulation leads to the preparation of the final α -Fe 2 O 3 /AC-COF@MIL-101 ternary nanocomposite. In α -Fe 2 O 3 /AC-COF@MIL-101 composites, the high surface energy of AC-COF is mitigated by the strong chemical energy of N C-N, reducing AC-COF aggregation and decreasing the recombination rate of photogenerated carriers in α -Fe 2 O 3 . The heterojunction structure between AC-COF@MIL-101 and α -Fe 2 O 3 enhances the degradation of TC, attributed to the synergistic effect of adsorption and photocatalysis. Experimental results demonstrate that α -Fe 2 O 3 /AC-COF@MIL-101 has a maximum adsorption capacity of 135.14 mg/g, achieving a 100% TC removal rate within 30 min. Compared to AC-COF, MIL-101, and α -Fe 2 O 3 , α -Fe 2 O 3 /AC-COF@MIL-101 exhibits higher adsorption capacity and photocatalytic activity. Specifically, its adsorption capacity is 2.1 times that of AC-COF, 1.8 times that of MIL-101, and 10.6 times that of α -Fe 2 O 3 . Additionally, its degradation ability is 8.6 times that of α -Fe 2 O 3 . The adsorption of TC by α -Fe 2 O 3 /AC-COF@MIL-101 occurs through monolayer chemical adsorption, and the process is exothermic. The main active species involved in the photocatalytic degradation process are h + and ·OH. This study introduces a new ternary composite multifunctional material with high adsorption and photocatalytic performance for TC, offering a potential strategy for enhancing the synergistically adsorption-photocatalytic effect in ternary composite systems.

CAS / MDL: 1309-37-1
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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES · 2025 · IF 8.5

Redefining the synergistic toxicity of nano-plastics and cadmium in earthworm coelomocytes: the mechanism of α-amylase molecular docking orientation and energy crisis

Fei Du,Xiangxiang Li,Shuqi Guo,Yuntao Qi,Tingting Wang,Shaoyang Hu,Rutao Liu

Nanoplastics (NPs) and cadmium (Cd), as ubiquitous environmental pollutants, are frequently detected in ecosystems, and their combined toxicity has received increasing attention. However, evidence and mechanisms regarding the cellular toxicity of NPs and Cd co-exposure in soil organisms remain insufficient. This study employed a multi-scale approach to investigate the toxic effects and mechanisms of NPs and Cd co-exposure on Eisenia fetida coelomocytes, and the structural changes of α -amylase. Results revealed that NPs-Cd co-exposure significantly reduced coelomocytes viability to 70.33 %, lower than Cd-alone exposure (78.41 %). Mechanically, compared to Cd exposure, co-exposure induced stronger reactive oxygen species (ROS) generation. NPs amplified Cd toxicity, leading to severe antioxidant system disruption, lipid peroxidation and mitochondrial dysfunction. At the molecular level, compared to Cd alone (74.03 %), NPs-Cd exposure induced lower α-amylase activity (66.33 %). Cd exposure caused protein skeleton damage, fluorescence sensitization, which were further exacerbated by NPs. Protein aggregation and docking simulation speculates that NPs-Cd cause greater toxicity in the form of protein corona. Linking NPs-Cd-induced oxidative stress with energy metabolism, this study highlighted the potential role of NPs as carriers in Cd accumulation. These findings highlight NPs' environmental risks and advance ecological risk assessment strategies for combined pollution.

CAS / MDL: 10108-64-2
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LANGMUIR · 2025 · IF 3.9

Revealing the Mechanisms of the Morphological Response of α-Calcium Sulfate Hemihydrate to Aluminum Hydroxide by Density Functional Theory Simulations and Experimental Methods

Liqin Li,Ruiduo Li,Dashi Lei,Yubin Wang,Xiangyu Peng,Xiao Wang

The morphology of α-calcium sulfate hemihydrate (α-HH) crystals is a critical determinant of their applicability. This study systematically explored the regulatory effect of aluminum hydroxide (Al(OH)3) on the morphology of α-HH. Our findings indicated that Al(OH)3 substantially suppressed the growth of α-HH crystals along the c-axis. As the concentration of Al(OH)3 increased from 0% to 0.125%, the morphology of the α-HH crystals progressively transitioned from fibrous to columnar, platelike, and then granular forms. Density functional theory (DFT) calculations revealed that at lower concentrations of Al(OH)3, Al(OH)2+, and Al(OH)4– ions preferentially adsorb on the (002) end plane, leading to a reduction in the surface energy of this plane. This adsorption inhibits its growth and enhances the exposure of the (002) plane, ultimately resulting in a morphological transformation of the α-HH crystals from a fibrous to short columnar. At elevated concentrations of Al(OH)3, the selective adsorption of Al(OH)2+ and Al(OH)4–, alongside the nonselective precipitation of excess Al(OH)3 as colloidal forms on the surface of α-HH, facilitated the growth of specific crystals exhibiting platelike and granular morphologies. This work will provide a foundational reference for the preparation of α-HH with diverse morphologies derived from industrial gypsum.

CAS / MDL: 7647-01-0 7697-37-2
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