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Mi L, Zhang K, Ma JX, Yao JF, Tong YL, Bao ZJ. Hollow cerium nanoparticles synthesized by one-step method for multienzyme activity to reduce colitis in mice. World J Gastroenterol 2025; 31:98732. [PMID: 39926211 PMCID: PMC11718602 DOI: 10.3748/wjg.v31.i5.98732] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [MESH Headings] [Track Full Text] [Download PDF] [Journal Information] [Submit a Manuscript] [Subscribe] [Scholar Register] [Received: 07/04/2024] [Revised: 10/08/2024] [Accepted: 12/04/2024] [Indexed: 12/30/2024] Open
Abstract
BACKGROUND Inflammatory bowel disease (IBD) is a common chronic intestinal inflammatory disease. High oxidative stress is a treatment target for IBD. Cerium oxide (CeO2) nanomaterials as nanozymes with antioxidant activity are potential drugs for the treatment of colitis. AIM To synthesize hollow cerium (H-CeO2) nanoparticles by one-step method and to validate the therapeutic efficacy of H-CeO2 in IBD. METHODS H-CeO2 was synthesized by one-step method and examined its characterization and nanoenzymatic activity. Subsequently, we constructed dextran sulfate sodium (DSS)-induced colitis in mice to observe the effects of H-CeO2 on colonic inflammation. The effects of H-CeO2 on colon inflammation and reactive oxygen species (ROS) levels in IBD mice were detected by hematoxylin and eosin staining and dichlorofluorescein diacetate staining, respectively. Finally, the biological safety of H-CeO2 on mice was evaluated by hematoxylin and eosin staining, blood routine, and blood biochemistry. RESULTS H-CeO2 nanoparticles prepared by the one-step method were uniform, monodisperse and hollow. H-CeO2 had a good ability to scavenge ROS, ∙OH and ∙OOH. H-CeO2 reduced DSS-induced decreases in body weight and colon length, colonic epithelial damage, inflammatory infiltration, and ROS accumulation. H-CeO2 administration reduced the disease activity index of DSS-induced animals from about 8 to 5. H-CeO2 had no significant effect on body weight, total platelet count, hemoglobin, white blood cell, and red blood cell counts in healthy mice. No significant damage to major organs was observed in healthy mice following H-CeO2 administration. CONCLUSION The one-step synthesis of H-CeO2 nanomaterials had good antioxidant activity, biosafety, and inhibited development of DSS-induced IBD in mice by scavenging ROS.
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Affiliation(s)
- Lin Mi
- Department of General Medicine, Huadong Hospital, Fudan University, Shanghai 200040, China
| | - Kai Zhang
- Department of General Medicine, Huadong Hospital, Fudan University, Shanghai 200040, China
| | - Jian-Xia Ma
- Department of Gastroenterology, Huadong Hospital, Fudan University, Shanghai 200040, China
| | - Jian-Feng Yao
- Department of Gastroenterology, Huadong Hospital, Fudan University, Shanghai 200040, China
| | - Yi-Li Tong
- Department of General Medicine, Huadong Hospital, Fudan University, Shanghai 200040, China
| | - Zhi-Jun Bao
- Department of Gastroenterology, Huadong Hospital, Fudan University, Shanghai 200040, China
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Qin Y, Zhong X, Liang C, Liang Z, Nong Y, Deng L, Guo Y, Li J, Zhang M, Tang S, Wei L, Yang Y, Liang Y, Wu J, Lam YM, Su Z. Nanozyme-based colorimetric sensor arrays coupling with smartphone for discrimination and "segmentation-extraction-regression" deep learning assisted quantification of flavonoids. Biosens Bioelectron 2024; 263:116604. [PMID: 39094293 DOI: 10.1016/j.bios.2024.116604] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Key Words] [MESH Headings] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Received: 04/21/2024] [Revised: 06/26/2024] [Accepted: 07/23/2024] [Indexed: 08/04/2024]
Abstract
Achieving rapid, cost effective, and intelligent identification and quantification of flavonoids is challenging. For fast and uncomplicated flavonoid determination, a sensing platform of smartphone-coupled colorimetric sensor arrays (electronic noses) was developed, relying on the differential competitive inhibition of hesperidin, nobiletin, and tangeretin on the oxidation reactions of nanozymes with a 3,3',5,5'-tetramethylbenzidine substrate. First, density functional theory calculations predicted the enhanced peroxidase-like activities of CeO2 nanozymes after doping with Mn, Co, and Fe, which was then confirmed by experiments. The self-designed mobile application, Quick Viewer, enabled a rapid evaluation of the red, green, and blue values of colorimetric images using a multi-hole parallel acquisition strategy. The sensor array based on three channels of CeMn, CeFe, and CeCo was able to discriminate between different flavonoids from various categories, concentrations, mixtures, and the various storage durations of flavonoid-rich Citri Reticulatae Pericarpium through a linear discriminant analysis. Furthermore, the integration of a "segmentation-extraction-regression" deep learning algorithm enabled single-hole images to be obtained by segmenting from a 3 × 4 sensing array to augment the featured information of array images. The MobileNetV3-small neural network was trained on 37,488 single-well images and achieved an excellent predictive capability for flavonoid concentrations (R2 = 0.97). Finally, MobileNetV3-small was integrated into a smartphone as an application (Intelligent Analysis Master), to achieve the one-click output of three concentrations. This study developed an innovative approach for the qualitative and simultaneous multi-ingredient quantitative analysis of flavonoids.
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Affiliation(s)
- Yuelian Qin
- Pharmaceutical College, Guangxi Medical University, Nanning, 530021, China
| | - Xinyu Zhong
- Pharmaceutical College, Guangxi Medical University, Nanning, 530021, China
| | - Caihong Liang
- School of Materials Science and Engineering, Nanyang Technological University, 639798, Singapore
| | - Zhenwu Liang
- Pharmaceutical College, Guangxi Medical University, Nanning, 530021, China
| | - Yunyuan Nong
- Pharmaceutical College, Guangxi Medical University, Nanning, 530021, China
| | - Lijun Deng
- Pharmaceutical College, Guangxi Medical University, Nanning, 530021, China
| | - Yue Guo
- School of Pharmaceutical Sciences, Zhejiang Chinese Medical University, Hangzhou, 310053, China
| | - Jinfeng Li
- Pharmaceutical College, Guangxi Medical University, Nanning, 530021, China
| | - Meiling Zhang
- Pharmaceutical College, Guangxi Medical University, Nanning, 530021, China
| | - Siqi Tang
- Pharmaceutical College, Guangxi Medical University, Nanning, 530021, China
| | - Liuyan Wei
- Pharmaceutical College, Guangxi Medical University, Nanning, 530021, China
| | - Ying Yang
- Pharmaceutical College, Guangxi Medical University, Nanning, 530021, China
| | - Yonghong Liang
- Pharmaceutical College, Guangxi Medical University, Nanning, 530021, China
| | - Jinxia Wu
- Pharmaceutical College, Guangxi Medical University, Nanning, 530021, China.
| | - Yeng Ming Lam
- School of Materials Science and Engineering, Nanyang Technological University, 639798, Singapore; Facility for Analysis, Characterisation, Testing and Simulation (FACTS), Nanyang Technological University, 639798, Singapore.
| | - Zhiheng Su
- Pharmaceutical College, Guangxi Medical University, Nanning, 530021, China; Guangxi Key Laboratory of Bioactive Molecules Research and Evaluation, Nanning, 530021, China; Guangxi Beibu Gulf Marine Biomedicine Precision Development and High-value Utilization Engineering Research Center, Nanning, 530021, China; Guangxi Health Commission Key Laboratory of Basic Research on Antigeriatric Drugs, Nanning, 530021, China.
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Kenny-Wilby A, Wedde ES, Zorn S, Gojsevic M, Radovanovic PV. Dual Exciton Polarization in Bipolar CeO 2-x Nanocrystals Controlled by Defect-Based Redox Processes. J Am Chem Soc 2024; 146:17986-17994. [PMID: 38914978 DOI: 10.1021/jacs.4c04366] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Indexed: 06/26/2024]
Abstract
Discovering alternative means to control electronic states in semiconductor nanostructures is the key to the development of new quantum technologies. Controlling the cyclotron motion of free charge carriers in semiconductor nanocrystals using an external magnetic field generates a tunable angular momentum, as a collective electronic degree of freedom, which can be imparted to the electronic band states to achieve complete exciton polarization. The sign of this polarization is determined by the type of majority charge carriers in a given lattice. Using magnetic circular dichroism spectroscopy, we demonstrate a simultaneous polarization of excitonic states in substoichiometric oxygen-deficient CeO2-x nanocrystals associated with electrons and holes, which can be controlled by the thermal treatment of colloidal nanocrystals in oxidizing or reducing conditions. The presence of both occupied and unoccupied midgap states, due to Ce3+ 4f and Ce4+ 4f orbitals, respectively, allows for selective probing of the effect of holes in the valence band (VB → Ce4+ 4f) and electrons in the conduction band (Ce3+ 4f → CB). The two transitions show the opposite sign at 300 K due to the opposite angular momenta associated with cyclotron electrons and holes. The ability to manipulate Ce 4f-derived midgap states by defect formation during the synthesis or postsynthesis treatment allows for a range of new technological applications of CeO2-x nanocrystals in optoelectronics.
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Affiliation(s)
- Aaron Kenny-Wilby
- Department of Chemistry, University of Waterloo, 200 University Avenue West, Waterloo, Ontario N2L 3G1, Canada
| | - Emily S Wedde
- Department of Chemistry, University of Waterloo, 200 University Avenue West, Waterloo, Ontario N2L 3G1, Canada
| | - Scott Zorn
- Department of Chemistry, University of Waterloo, 200 University Avenue West, Waterloo, Ontario N2L 3G1, Canada
| | - Milena Gojsevic
- Department of Chemistry, University of Waterloo, 200 University Avenue West, Waterloo, Ontario N2L 3G1, Canada
| | - Pavle V Radovanovic
- Department of Chemistry, University of Waterloo, 200 University Avenue West, Waterloo, Ontario N2L 3G1, Canada
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Santos MN, Lourenço TC, Mocelim M, Da Silva JLF. Theoretical study of the structural and energetic properties of Ce 1-xZr xO 2 nanoparticles via molecular dynamics simulations. Phys Chem Chem Phys 2024; 26:17838-17853. [PMID: 38884463 DOI: 10.1039/d4cp01137f] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Abstract] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Indexed: 06/18/2024]
Abstract
The combination of ceria (CeO2) with different metal oxides (MO2), e.g. Ce1-xMxO2, has been strategically used to enhance its intrinsic properties. Moreover, the controlled synthesis of mixed oxide nanoparticles (NPs) opens the opportunity to explore the size dependence and chemical composition of the physical-chemical properties. However, our atomic-level understanding of how the physical-chemical and thermodynamic characteristics change with particle size and composition remains far from satisfactory. Here, we used force-field molecular dynamics simulations to investigate the effects of composition (x) and size on the physical-chemical properties of Ce1-xZrxO2 NPs with diameter from 1 (32 cations) up to 3 nm (256 cations), where x = 0.0, 0.2, 0.4, 0.6, 0.8 and 1.0. We found abrupt changes in potential energy versus temperature for NPs with more than 108 cations, indicating a structural phase transition from disordered to ordered structures, which was confirmed by the radial distribution function. We found a linear relationship between the phase transition temperature (Tpt) and the size and composition of the NPs: the increase in the molar fraction of Zr4+ and the reduction in particle size are related to lower Tpt temperature and less defined decays of potential energy versus temperature. NPs larger than 56 cations show a radial distribution function with several peaks, which is related to the order of cations and anions in these structures. These peaks gradually disappear as the size decreases and the fraction of Zr4+ increases. Similar trends were observed with X-ray diffraction analysis; for example, fluorite-like motifs occur even with 56 cations in the case of ceria, but only for NPs with 108 cations for zirconia. Common neighbor analysis confirmed that NPs with well-defined values of the temperature Tpt have face-centered cubic (fcc)-like domains in the core region. The number of ordered fcc cations increases with increasing NP size and decreasing Zr4+ concentration. Finally, we observed that ceria nucleate first during simulated annealing and occupy highly coordinated sites within the core, while Zr4+ prefers the lowest coordinated sites on the surface.
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Affiliation(s)
- Mylena N Santos
- São Carlos Institute of Chemistry, University of São Paulo, P.O. Box 780, 13560-970 São Carlos, SP, Brazil.
| | - Tuanan C Lourenço
- São Carlos Institute of Chemistry, University of São Paulo, P.O. Box 780, 13560-970 São Carlos, SP, Brazil.
| | - Mauricio Mocelim
- São Carlos Institute of Chemistry, University of São Paulo, P.O. Box 780, 13560-970 São Carlos, SP, Brazil.
| | - Juarez L F Da Silva
- São Carlos Institute of Chemistry, University of São Paulo, P.O. Box 780, 13560-970 São Carlos, SP, Brazil.
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Siva Prakash R, Chandrasekaran J, Vivek P, Balasubramani V. Improvement of optoelectronic properties of In doped CeO2 thin films for photodiode applications. INORG CHEM COMMUN 2023. [DOI: 10.1016/j.inoche.2023.110592] [Citation(s) in RCA: 0] [Impact Index Per Article: 0] [Reference Citation Analysis] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Indexed: 03/09/2023]
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Razmgar K, Altarawneh M, Oluwoye I, Senanayake G. Selective Hydrogenation of 1,3-Butadiene over Ceria Catalyst: A Molecular Insight. MOLECULAR CATALYSIS 2022. [DOI: 10.1016/j.mcat.2022.112331] [Citation(s) in RCA: 1] [Impact Index Per Article: 0.3] [Reference Citation Analysis] [Track Full Text] [Subscribe] [Scholar Register] [Indexed: 10/18/2022]
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Miran HA, Jaf ZN. Electronic and optical properties of nickel-doped ceria: A computational modelling study. PAPERS IN PHYSICS 2022. [DOI: 10.4279/pip.140002] [Citation(s) in RCA: 1] [Impact Index Per Article: 0.3] [Reference Citation Analysis] [Abstract] [Track Full Text] [Journal Information] [Subscribe] [Scholar Register] [Indexed: 11/03/2022] Open
Abstract
Cerium oxide $\text{CeO}_2$, or ceria, has gained increasing interest owing to its excellent catalytic applications. Under the framework of density functional theory (DFT), this contribution demonstrates the effect that introducing the element nickel (Ni) into the ceria lattice has on its electronic, structural, and optical characteristics. Electronic density of states (DOSs) analysis shows that Ni integration leads to a shrinkage of Ce 4$f$ states and improvement of Ni 3$d$ states in the bottom of the conduction band. Furthermore, the calculated optical absorption spectra of an Ni-doped $\text{CeO}_2$ system shifts towards longer visible light and infrared regions. Results indicate that Ni-doping a $\text{CeO}_2$ system would result in a decrease of the band gap. Finally, Mulliken's charge transfer of the $\text{Ce}_{1-x}\text{Ni}_x\text{O}_2$ system exhibits an ionic bond between Ce or Ni and O, and covalent bonds between Ce and Ni atoms. The analysis of absorption spectra demonstrates that Ni-doped $\text{CeO}_2$ is a material with potential use in photocatalytic, photovoltaic, and solar panels.
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Alioui O, Badawi M, Erto A, Amin MA, Tirth V, Jeon BH, Islam S, Balsamo M, Virginie M, Ernst B, Benguerba Y. Contribution of DFT to the optimization of Ni-based catalysts for dry reforming of methane: a review. CATALYSIS REVIEWS 2022. [DOI: 10.1080/01614940.2021.2020518] [Citation(s) in RCA: 1] [Impact Index Per Article: 0.3] [Reference Citation Analysis] [Track Full Text] [Subscribe] [Scholar Register] [Indexed: 10/19/2022]
Affiliation(s)
- Oualid Alioui
- Laboratoire de génie des procédés chimiques, LGPC, Université Ferhat ABBAS Sétif-1 19000 Sétif, Algeria
| | - Michael Badawi
- Laboratoire de Physique et Chimie Théoriques, UMR CNRS 7019, Université de Lorraine, 54000 Nancy, France
| | - Alessandro Erto
- Dipartimento di Ingegneria Chimica, dei Materiali e Università degli Studi di Napoli, P.leTecchio, 80, 80125, Napoli, Italy
| | - Mohammed A. Amin
- Department of Chemistry, College of Science, Taif University, Taif 21944, Saudi Arabia
| | - Vineet Tirth
- Mechanical Engineering Department, College of Engineering, King Khalid University, Abha 61411, Asir, Kingdom of Saudi Arabia
- Research Center for Advanced Materials Science (RCAMS), King Khalid University Guraiger, Abha, Asir, Kingdom of Saudi Arabia
| | - Byong-Hun Jeon
- Department of Earth Resources and Environmental Engineering, Hanyang University, Seoul, 04763, Republic of Korea
| | - Saiful Islam
- Civil Engineering Department, College of Engineering, King Khalid University, Abha-61411, Asir, Kingdom of Saudi Arabia
| | - Marco Balsamo
- Dipartimento di Scienze Chimiche, Università degli Studi di Napoli Federico II, Complesso Universitario di Monte Sant’Angelo, 80126 Napoli, Italy
| | - Mirella Virginie
- Univ. Lille, CNRS, Centrale Lille, ENSCL, Uni. Artois, UMR 8181 –UCCS – Unité de Catalyse et de Chimie du Solide, F-59000 Lille, France
| | - Barbara Ernst
- Université de Strasbourg, CNRS, IPHC UMR 7178, Laboratoire de Reconnaissance et Procédés de Séparation Moléculaire (RePSeM), ECPM 25 rue Becquerel, Université de Strasbourg, Strasbourg, France
| | - Yacine Benguerba
- Department of Chemistry, College of Science, Taif University, Taif 21944, Saudi Arabia
- Department of process engineering, Faculty of Technology, Ferhat ABBAS Sétif 1 University, 19000 Setif, Algeria
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Abstract
Investigation into the state and mechanisms of the active metal substitution into the γ-Al2O3 support is the basis for design of many catalysts. Periodic density functional theory (DFT) +U calculations were used to investigate the surface properties of transition metals Co3+ and Ni3+ cations substitute for the Al3+ cations of γ-Al2O3 (110) surface. It was found that the substitution energy of one Al3+ substituted by Co3+ and Ni3+ are −61 and −57 kJ/mol, respectively. The Co and Ni preferentially substitute the tetrahedral Al sites instead of the octahedral Al sites. Using thermodynamics, the Al atoms in the top layer of γ-Al2O3 (110) can be 100% substituted by Co and Ni. Ni is easier to substitute the Al atom than Co. There is no obvious structural distortion that occurs after Co and Ni substituted all the top layer Al atoms. While the band gaps of the substituted surface become narrower, resulting in the increase of surface Lewis acidity. In addition, the oxygen vacancy formation energies of the Co and Ni substituted surface are 268 and 53 kJ/mol, respectively. The results provide interface structure and physical chemistry properties of metal-doped catalysts.
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Kurajica S, Ivković IK, Dražić G, Shvalya V, Duplančić M, Matijašić G, Cvelbar U, Mužina K. Phase composition, morphology, properties and improved catalytic activity of hydrothermally-derived manganese-doped ceria nanoparticles. NANOTECHNOLOGY 2022; 33:135709. [PMID: 34929680 DOI: 10.1088/1361-6528/ac44ed] [Citation(s) in RCA: 4] [Impact Index Per Article: 1.3] [Reference Citation Analysis] [Abstract] [Key Words] [Track Full Text] [Subscribe] [Scholar Register] [Received: 10/23/2021] [Accepted: 12/20/2021] [Indexed: 06/14/2023]
Abstract
Manganese-doped ceria nanoparticles were prepared by hydrothermal synthesis and the prepared samples were thermally treated at 500 °C for 2 h. The samples were investigated using x-ray diffraction (XRD), high-resolution transmission electron microscopy (HR-TEM), energy-dispersive x-ray spectroscopy (EDS), N2adsorption and x-ray photoelectron spectroscopy (XPS). XRD revealed that nanocrystalline ceria is the main phase in all samples, while a romanechite-like phase (Na2Mn5O10) appears in the sample doped with 30% of Mn. TEM coupled with EDS exposed the presence of the same phase in the sample doped with 20% Mn. While ceria particles have spherical morphology and particle size ranging from 4.3 to 9.2 nm, the rare crystals of the romanechite-like phase adopt a tubular morphology with a length of at least 1μm. However, the decrease in the ceria lattice constant and the EDS spectra of the ceria nanoparticles clearly indicate that a substantial amount of manganese entered the ceria crystal lattice. Manganese doping has a beneficial impact on the specific surface area of ceria. XPS measurements reveal a decrease in the Ce3+/Ce3+ + Ce4+content in the doped samples which is replaced by Mn3+. Moreover, a drastic increase in adsorbed oxygen is observed in the doped samples which is the consequence of the increase in Mn3+species that promotes oxygen migrations to the surface of the sample. Compared to the pure sample, the doped samples showed significantly higher catalytic activity for the process of toluene oxidation.
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Affiliation(s)
- S Kurajica
- University of Zagreb, Faculty of Chemical Engineering and Technology, Marulićev trg 19, HR-10 000 Zagreb, Croatia
| | - I K Ivković
- University of Zagreb, Faculty of Chemical Engineering and Technology, Marulićev trg 19, HR-10 000 Zagreb, Croatia
| | - G Dražić
- National Institute of Chemistry, Hajdrihova 19, SI-1001, Ljubljana, Slovenia
| | - V Shvalya
- Jožef Stefan Institute, Jamova 39, SI-1000, Ljubljana, Slovenia
| | - M Duplančić
- University of Zagreb, Faculty of Chemical Engineering and Technology, Marulićev trg 19, HR-10 000 Zagreb, Croatia
| | - G Matijašić
- University of Zagreb, Faculty of Chemical Engineering and Technology, Marulićev trg 19, HR-10 000 Zagreb, Croatia
| | - U Cvelbar
- Jožef Stefan Institute, Jamova 39, SI-1000, Ljubljana, Slovenia
| | - K Mužina
- University of Zagreb, Faculty of Chemical Engineering and Technology, Marulićev trg 19, HR-10 000 Zagreb, Croatia
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