Studying defects and defect clusters in reactor materials is essential for understanding the degradation mechanisms of materials under irradiation. By uncovering the formation and evolution of defects, this paper provides critical insights for enhancing the radiation resistance of reactor materials and extending their service life. The contributions of this study are as follows: (1) Integration of a large-scale molecular dynamics (MD) dataset generated by cascade collisions and the application of machine learning (ML) techniques to investigate point defects and their clusters in reactor pressure vessel (RPV) materials; (2) Proposal of a novel clustering method based on physical characteristics, enabling efficient classification of defect clusters while effectively reducing data noise; (3) Development of a component-based defect cluster configuration recognition method using a dual-pointer lattice-filling technique, accurately capturing all defects and identifying several cluster morphologies observed in experiments; (4) Demonstration of the algorithm's outstanding performance in handling systems containing millions of atomic coordinates, showcasing its scalability and robustness; (5) Visualization of the three-dimensional spatial distribution of defect clusters and provision of two-dimensional spatial density distribution maps for vacancy clusters and interstitial clusters, offering precise characterization of spatial relationships within defect clusters and new insights into the irradiation mechanisms of materials.
View Article and Find Full Text PDFTrop Med Infect Dis
April 2025
(TV) is the most common non-viral sexually transmitted infection (STI) among women worldwide. However, there is little information available regarding the burden of trichomoniasis infection among Chinese women. The aim of the present study is to assess the status of trichomoniasis in China.
View Article and Find Full Text PDFPhys Chem Chem Phys
December 2023
We designed a narrow-band metamaterial absorber (NMA) and an ultra-broadband metamaterial perfect absorber (UMPA) based on the impedance matching theory. The narrow-band metamaterial absorber mainly consists of SiN cylinders with SiN and Ti substrates. Numerical analysis shows that the absorption peak of the NMA is about 99.
View Article and Find Full Text PDFSci Rep
October 2023
To further explore the pharmacological effect of pachymaran, this article studied the inhibition of pachymaran on oxidative stress and genetic damage induced by formaldehyde. 40 adult Kunming male mice were randomly divided into four groups with different interventions. One week later, the contents of serum SOD, GR, MDA, DNA-protein crosslink (DPC), 8-hydroxydeoxyguanosine (8-OHDG) and DNA adduct were determined by ELISA.
View Article and Find Full Text PDFA new kind of covalent organic framework (COF) was first utilized as an stationary phase for open-tubular electrochromatography (OT-CEC) by in situ synthesis immobilized method at room temperature. On the basis of our previous work, 4,4',4″-(1,3,5-Triazine-2,4,6-triyl)trianiline (TZ) and 2,5-bis(2-propyn-1-yloxy)-1,4-benzenedicarboxaldehyde (BPTA) were employed as building blocks for the synthesis of COF TZ-BPTA. The coated capillary and COF TZ-BPTA were characterized by scanning electron microscopy (SEM).
View Article and Find Full Text PDFCovalent organic frameworks (COFs) are a novel type of crystalline porous organic polymer materials recently developed. It has several advantages in chromatographic separation field, such as high thermal stability, porosity, structural regularity, and large specific surface area. Here, a novel spherical COF 1,3,5-tris(4-aminophenyl)benzene (TAPB) and 2,5-bis(2-propyn-1-yloxy)-1,4-benzenedicarboxaldehyde (BPTA) was developed as an electrochromatographic stationary phase for capillary electrochromatography separation.
View Article and Find Full Text PDFCovalent organic frameworks (COFs) with good chemical stability, flexible chemical functionalization, tunable pore sizes, and high specific surface areas have been increasingly employed in the field of fluorescence sensing. In this work, a crystalline vinyl-functionalized COF TzDa-V was facilely prepared through a room-temperature synthetic method via condensation reaction between 4,4',4″-(1,3,5-triazine-2,4,6-triyl)trianiline (Tz) and 2,5-diallyloxyterephthalaldehyde (Da-V). The intermolecular charge transfer (ICT) effect endowed the TzDa-V with fluorescence characteristic, and it was sensitive to trace water and can be quenched due to the disruption of ICT process by water.
View Article and Find Full Text PDFPhys Chem Chem Phys
August 2022
We present a reverse design method useful for designing and analyzing metamaterial absorbers; we demonstrate its power by designing both a narrowband absorber and a wideband absorber. The method determines the structure of the absorber using an equivalent-circuit model. The narrowband metamaterial absorber structures were based on the equivalent-circuit model, and the narrowband metamaterial absorber designed using the method has an absorption fraction greater than 90% in a bandwidth of 500 nm centered at about 1450 nm.
View Article and Find Full Text PDFThe transformation of zero-dimensional carbon dots (CDs) to cross-linked nanomaterials is rare. In this work, a novel carbon dots-based covalent organic nanomaterial (CON CDs-TAPB) consisted of 1,3,5-tris(4-aminophenyl)-benzene (TAPB) and carbon dots (CDs) through facile Schiff-base reaction was synthesized and then employed as a stationary phase for open-tubular capillary electrochromatography (OT-CEC). The CON CDs-TAPB and the CDs-TAPB coated column were characterized through Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), UV-spectra experiments and X-ray photoelectron spectroscopy (XPS).
View Article and Find Full Text PDFCrown ethers are macrocyclic polyether compounds containing multiple -oxo-methylene-structural units, which are often used for recognition of metal ions and ammonium ions. Inspired by the molecular design of rotaxanes, a novel covalent organic nanospheres material (CON ADBC-Tp) constructed by 4,4'-diaminodibenzo-18-crown-6 (ADBC) and 2,4,6-triformylphloroglucinol (Tp) was rationally designed as stationary phase for the separation of compounds containing imidazole structure. Scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FT-IR) were carried out to confirm the morphology and composition of ADBC-Tp and ADBC-Tp modified capillary column.
View Article and Find Full Text PDFThe development of novel stationary phases to achieve high-efficiency separation is still an important topic in separation sciences. Covalent organic frameworks (COFs) with the advantages of large specific surface areas, high porosity and stability have attracted great attention in chromatographic field. Here, a novel crystalline covalent organic framework (TzDa-V) was designed and synthesized by condensation reaction between 4,4',4″-(1,3,5-Triazine-2,4,6-triyl)trianiline (Tz) and 2,5-diallyloxyterephthalaldehyde (Da-V) for open-tubular capillary electrochromatography (OT-CEC).
View Article and Find Full Text PDFAppl Bionics Biomech
January 2022
This article is aimed at studying the design and implementation of a football player training management system based on smart images. Based on the analysis of the importance of informatization for scientific football training, system performance requirements and intelligent image detection technology, the football player training management is designed. The overall architecture of the system, and the detailed design of each functional module of the system.
View Article and Find Full Text PDFHere, a novel multifunctional β-cyclodextrin microporous organic network (CD-MON) has been successfully synthesized and used to remove bisphenol A (BPA) from water. The morphology and composition of the synthesized CD-MON were confirmed. The combination of hydrophobic interaction, π-π interaction inclusion mechanism and hydrogen bonding endowed CD-MON to exhibit superior adsorption capacity toward BPA.
View Article and Find Full Text PDFCandida antarctica lipase B (CALB) is a natural biocatalyst with an intrinsically strong chiral environment and a high degree of enantio-selectivity, which is widely used in the separation of racemates. Here, a facile and efficient covalent immobilization approach was utilized to immobilize CALB onto the capillary inner wall as a novel chiral stationary phase to explore and broaden its application in the direct chiral separation by electrochromatography. The obtained CALB immobilized capillary column was characterized by scanning electron microscopy (SEM), fluorescence imaging and Fourier transform infrared spectroscopy (FT-IR).
View Article and Find Full Text PDFCovalent organic frameworks (COFs), considered as a series of newly emerging porous organic materials, have been widely utilized in separation fields. Herein, a novel COF (TFPB-BD) was first employed as stationary phase for high-efficiency capillary electrochromatographic separation. Benzidine (BD) and 1,3,5-Tris-(4-formylphenyl)benzene (TFPB) were selected as organic linkers and then introduced into the aldehyde group modified capillary for the in situ growth of TFPB-BD onto the capillary inner wall at room temperature.
View Article and Find Full Text PDFHydrophilic column combined with mobile phase containing high content of water is a green method for the separation of polar compounds, but there are few related studies, and the separation efficiency and performance of existing columns still needs to be improved. In this work, a novel monolithic column for separation of hydrophilic compounds under both high water content and HILIC condition, was prepared by in-situ polymerization using 4-vinylbenzoic acid (VBA) and 1-(Acryloyloxy)-3-(methacryloyloxy)-2-propanol (AMAP) as functional monomers. The poly(VBA-co-AMAP) monolithic column showed good separation performance towards various polar compounds under different chromatographic conditions based on the π-interaction, hydrophobic and hydrogen bonding interactions provided by 4-vinylbenzoic acid functional monomer.
View Article and Find Full Text PDFHerein, the fabrication of a fascinating multifunctional cyclodextrin (CD) chiral stationary phase and its chiral separation performance in capillary electrochromatography are proposed. A facile interfacial polymerization was used to anchor ethanediamine-β-cyclodextrin (EDA-β-CD) polymerized with trimesoyl chloride (TMC) and to form the chiral stationary phase (CSP) composite onto the surface wall of the capillary. The characters of prepared columns were confirmed by Fourier transform infrared spectroscopy (FT-IR), X-ray Photoelectron Spectrometer (XPS), scanning electron microscopy (SEM) and energy dispersive X-ray spectrometry (EDS).
View Article and Find Full Text PDFMicromachines (Basel)
February 2021
In order to process micro scale parts more conveniently, especially the micro parts with complex shape, a new micro blanking equipment based on piezoelectric ceramic driving is proposed in this paper. Compared with other large precision machining equipment, the equipment cost has been greatly reduced. Using displacement sensor to detect the change of output displacement and feedback control piezoelectric actuator to control the change of relevant parameters, the control precision is high.
View Article and Find Full Text PDFCompared with single fault, the occurrence and composition of coupling faults have more uncertainties and diversities, which make fault classification a challenging topic in academic research and industrial application areas. In this paper, the classification problems of coupling faults are addressed from a new perspective, which will provide diagnostic decisions for online operators to take immediate remedial measures to bring the abnormal operation back to an incontrol state. Specifically, the main innovations are: (1) a semisupervised classification scheme for coupling faults is first proposed, which combines adaptive classification with multi-task feature selection; (2) number of classifications can be learned adaptively and automatically; (3) common and specific features among single and the associated coupling faults can be captured, which are crucial for improving classification performance.
View Article and Find Full Text PDFAllylglycine, a conventional amino acid derivative, possesses typical zwitterionic and hydrophilic functionalities deriving from the carboxyl and amino groups in its structure. A novel monolithic column poly(allylglycine-co-1, 3, 5-triacryloylhexahydro-1, 3, 5-triazine) (AGly-co-TAT) with powerful hydrophilic selectivity and obvious zwitterionic feature was synthesized successfully with the monomer allyglycine and the cross-linker 1, 3, 5-triacryloylhexahydro-1, 3, 5-triazine through in-situ copolymerization for capillary electrochromatography. The obtained monolithic column has good permeability.
View Article and Find Full Text PDFJ Chromatogr A
August 2020
Fluorous affinity means remarkably specific interaction between highly organic fluorides. This work aims to explore the potential of fluoro-functionalized stationary phase for the separation of organic fluorides by means of fluorous-fluorous interaction. Here, by using the Michael addition strategy between 1H,1H,2H,2H-perfluorodecanethiol (PFDT) and polydopamine (PD), a novel fluoro-functionalized stationary phase was synthesized for open-tubular capillary electrochromatography (OT-CEC).
View Article and Find Full Text PDFAn innovative strong hydrophilic organic polymer monolithic column of poly(N-benzylquininium chloride-co-1, 3, 5-triacryloylhexahydro-1, 3, 5-triazine) (poly(NBQ-co-TAT)) has been successfully synthesized through in situ copolymerization for capillary electrochromatography. The amphiphilic monomer NBQ and the strong polar cross-linker TAT are firstly used in hydrophilic electrochromatography by taking advantage of the exhibition of hydrophilicity at lower levels of organic solvent and ease formation of porous structure. The monolithic column poly(NBQ-co-TAT) shows powerful hydrophilic selectivity with mobile phase containing more than 60% organic solvent.
View Article and Find Full Text PDFA novel organic polymer monolithic column with reversed-phase/hydrophilic (RPLC/HILIC) bifunctional interaction mixed-mode was successfully synthesized with the monomers 4-vinylbiphenyl and vinylbenzyl trimethylammonium chloride and the cross-linker ethylene dimethacrylate by in situ copolymerization in a binary porogenic solvent consisting of cyclohexanol and dodecanol for capillary electrochromatography. The stationary phases formed by styrene-based monomers can allow powerful π-π, hydrophobic and hydrophilic interactions, which is beneficial for the chromatographic separation with high resolution and high column efficiency. One mixed-mode monolithic column can work as two individual mode columns based on the combination of binary RPLC and HILIC separation mechanisms.
View Article and Find Full Text PDFThe popularity of online information generally experiences a rising and falling evolution. This paper considers the "burst", "peak", and "fade" key events together as a representative summary of popularity evolution. We propose a novel prediction task-predicting when popularity undergoes these key events.
View Article and Find Full Text PDFField effect mobility in an organic device is determined by the activation energy. A new physical model of the activation energy is proposed by virtue of the energy and momentum conservation equations. The dependencies of the activation energy on the gate voltage and the drain voltage, which were observed in the experiments in the previous independent literature, can be well explained using the proposed model.
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