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Design of a high-voltage radiation-tolerant driver with a novel comparator and drain-surrounding-source structure 被引量:1
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作者 Wei Huang Hong-Xia Liu Xing-Guo Gao 《Nuclear Science and Techniques》 2025年第7期34-43,共10页
This article introduces a novel 20 V radiation-hardened high-voltage metal-oxide-semiconductor field-effect transistor(MOSFET)driver with an optimized input circuit and a drain-surrounding-source(DSS)structure.The inp... This article introduces a novel 20 V radiation-hardened high-voltage metal-oxide-semiconductor field-effect transistor(MOSFET)driver with an optimized input circuit and a drain-surrounding-source(DSS)structure.The input circuit of a conventional inverter consists of a thick-gate-oxide n-type MOSFET(NMOS).These conventional drivers can tolerate a total ionizing dose(TID)of up to 100 krad(Si).In contrast,the proposed comparator input circuit uses both a thick-gate-oxide p-type MOSFET(PMOS)and thin-gate-oxide NMOS to offer a high input voltage and higher TID tolerance.Because the thick-gate-oxide PMOS and thin-gate-oxide NMOS collectively provide better TID tolerance than the thick-gate-oxide NMOS,the circuit exhibits enhanced TID tolerance of>300 krad(Si).Simulations and experimental date indicate that the DSS structure reduces the probability of unwanted parasitic bipolar junction transistor activation,yielding a better single-event effect tolerance of over 81.8 MeVcm^(2)mg^(-1).The innovative strategy proposed in this study involves circuit and layout design optimization,and does not require any specialized process flow.Hence,the proposed circuit can be manufactured using common commercial 0.35μm BCD processes. 展开更多
关键词 Total ionizing dose(TID) Single-event burnout(SEB) High-voltage driver Comparator input unit Drain-surrounding-source ring structure
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A dopant-assisted iodide-adduct chemical ionization time-of-flight mass spectrometer based on VUV lamp photoionization for atmospheric low-molecular-weight organic acids analysis 被引量:1
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作者 Yonglei Zhang Ruidong Liu +3 位作者 Mei Li Yingzhe Guo Jichuang Kong Keyong Hou 《Journal of Environmental Sciences》 2025年第3期500-511,共12页
Formic and acetic acids are the most abundant gaseous organic acids and play the key role in the atmospheric chemistry.In iodine-adduct chemical ionizationmass spectrometry(CIMS),the low utilization efficiency of meth... Formic and acetic acids are the most abundant gaseous organic acids and play the key role in the atmospheric chemistry.In iodine-adduct chemical ionizationmass spectrometry(CIMS),the low utilization efficiency of methyl iodide and humidity interference are two major issues of the vacuum ultraviolet(VUV)lamp initiated CIMS for on-line gaseous formic and acetic acids analysis.In this work,we present a new CIMS based on VUV lamp,and the ion-molecular reactor is separated into photoionization and chemical ionization zones by a reducer electrode.Acetone was added to the photoionization zone,and the VUV photoionization acetone provided low-energy electrons for methyl iodide to generate I−,and the addition of acetone reduced the amount of methyl iodide by 2/3.In the chemical ionization zone,a headspace vial containing ultrapure water was added for humidity calibration,and the vial changes the sensitivity as a function of humidity from ambiguity to well linear correlation(R2>0.95).With humidity calibration,the CIMS can quantitatively measure formic and acetic acids in the humidity range of 0%-88%RH.In this mode,limits of detection of 10 and 50 pptv are obtained for formic and acetic acids,respectively.And the relative standard deviation(RSD)of quantitation stability for 6 days were less than 10.5%.This CIMS was successfully used to determine the formic and acetic acids in the underground parking and ambient environment of the Shandong University campus(Qingdao,China).In addition,we developed a simple model based formic acid concentration to assess vehicular emissions. 展开更多
关键词 Formic acid Acetic acid Vacuum ultraviolet(VUV)lamp photoionization(PI) Chemical ionization(CI) Time-of-flight mass spectrometry (TOFMS) Trace gases measurement
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Nonsequential Double Ionization by Circularly Polarized Laser Pulses:Recollisions Triggered by Nanotips
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作者 Xuan Luo Xiaohu Ji +2 位作者 Liguang Jiao Aihua Liu Xueshen Liu 《Chinese Physics Letters》 2025年第7期138-144,共7页
Strong feld-induced nonsequential double ionization(NSDI)is a signifcant multi-electron phenomenon that provides crucial insights into understanding electron correlation and multiple ionization of atoms and molecules,... Strong feld-induced nonsequential double ionization(NSDI)is a signifcant multi-electron phenomenon that provides crucial insights into understanding electron correlation and multiple ionization of atoms and molecules,but it is typically unattainable in a circularly polarized laser pulse,especially for long-wavelength lasers.We present evidence that NSDI can occur in the presence of a near-infrared or beyond laser pulse by introducing a bowtie-nanotip.The laser-induced local plasmon can alter the local ellipticity of the feld,thereby enabling NSDI through elliptical trajectories that facilitate recollisions with parent atoms.An oval-shaped momentum distribution of recoiled ions provides evidence for the modifcation of trajectories by the aligned nanotips.Our study introduces an innovative control knob to manipulate NSDI and electron dynamics through the utilization of nanostructures. 展开更多
关键词 elliptical trajectories circularly polarized laser nonsequential double ionization multiple ionization alter local ellipti circularly polarized laser pulses PLASMON electron correlation
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Time-dependent quantum wave packet simulation for strong laser-induced molecular dynamics in multiple electronic states of H_(2) molecules
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作者 Jin-Peng Ma Xiao-Qing Hu +1 位作者 Yong Wu Jian-Guo Wang 《Chinese Physics B》 2025年第10期149-157,共9页
We present a fully time-dependent quantum wave packet evolution method for investigating molecular dynamics in intense laser fields.This approach enables the simultaneous treatment of interactions among multiple elect... We present a fully time-dependent quantum wave packet evolution method for investigating molecular dynamics in intense laser fields.This approach enables the simultaneous treatment of interactions among multiple electronic states while simultaneously tracking their time-dependent electronic,vibrational,and rotational dynamics.As an illustrative example,we consider neutral H_(2)molecules and simulate the laser-induced excitation dynamics of electronic and rotational states in strong laser fields,quantitatively distinguishing the respective contributions of electronic dipole transitions(within the classical-field approximation)and non-resonant Raman processes to the overall molecular dynamics.Furthermore,we precisely evaluate the relative contributions of direct tunneling ionization from the ground state and ionization following electronic excitation in the strong-field ionization of H_(2).The developed methodology shows strong potential for performing high-precision theoretical simulations of electronic-vibrational-rotational state excitations,ionization,and dissociation dynamics in molecules and their ions under intense laser fields. 展开更多
关键词 time-dependent quantum wave packet evolution method laser-induced excitation dynamics electronic dipole transitions non-resonant Raman processes direct tunneling ionization ionization following electronic excitation
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Effect of segmented electrodes in coaxial cylindrical dielectric barrier discharge on plasma characteristics and acetone oxidation
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作者 Yinxia GUAN Shiqiang WANG +2 位作者 Yipeng LI He MENG Lifu SUN 《Plasma Science and Technology》 2025年第5期9-19,共11页
This work describes the discharge characteristics and acetone degradation with plasma under different electric fields based on a coaxial cylindrical dielectric barrier discharge(DBD)device energized by pulsed power.It... This work describes the discharge characteristics and acetone degradation with plasma under different electric fields based on a coaxial cylindrical dielectric barrier discharge(DBD)device energized by pulsed power.It is found that the segmented electrodes with appropriate spacing in coaxial cylindrical DBD are beneficial to the plasma ionization.In this work,the plasma distribution,discharge thermal effect,ionization of reactive species,and acetone degradation performance in coaxial cylindrical DBD with different segmented electrodes are systematically investigated.The experimental results show that segmented electrodes with a certain distance can cause additional ionization in the non-electrode-covered region between adjacent electrodes,thus enlarging the plasma region compared with a single electrode with equivalent total electrode length.The additional ionization involved the inner volume discharge between the quartz tubes and the outer surface discharge along the surface of the external quartz tube.The spatial distributions of the inner volume discharge and external surface discharge were predominantly governed by the radial and axial components of the inter-electrode electric field,respectively.The external surface discharge exhibited significant suppression when the electrode spacing was<1.5 mm,and it reached its maximum length at 3 mm spacing.When the electrode distance increased to 7-9 mm,a weak ionizing region appeared in the middle of the adjacent electrodes,which could be attributed to the gradual attenuation of the radial component with the increasing electrode spacing.A higher thermal effect and better oxidation of acetone to CO_(x)(CO and CO_(2))were achieved with the segmented electrode;the dual-segment configuration(3 mm per electrode)achieved a reactor temperature of 63.4℃,representing a 10℃enhancement over comparable single-electrode systems.Similarly,the CO_(2)and CO concentration reached 328.8 mg/m3and 105.7 mg/m3,respectively,in two 3 mm long segmented electrodes,which was an increase of 12.2%and 25.6%,respectively,compared with the single electrode.Notably,considering the equivalent ionization of the inner discharge with different electrodes,the enhanced thermal effects and CO_(x)conversion efficiency directly correlate with the expanded plasma zone induced by electrode segmentation.This work provides critical insights into optimizing electrode configurations for efficient plasma-assisted volatile organic compound degradation systems. 展开更多
关键词 segmented electrode plasma IONIZATION thermal effect acetone degradation acetone oxidation
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Efficient diagnosis of benign and malignant pulmonary nodules based on Nano-zero-valent iron enhanced serum metabolic finger-printing
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作者 Qiongqiong Wan Zhourui Zhang +12 位作者 Mengmeng Zhao Xianqin Ruan Yanhong Hao Jiajun Deng Yunlang She Minglei Yang Yongxiang Song Feng Jin Ailin Wei Sheng Zhong Jie Zheng Dong Xie Suming Chen 《Chinese Chemical Letters》 2025年第10期532-538,共7页
Accurate classification of pulmonary nodules is critical for early diagnosis of lung cancer. However, non-invasive and accurate diagnosis of benign and malignant pulmonary nodules faces great challenges. In this study... Accurate classification of pulmonary nodules is critical for early diagnosis of lung cancer. However, non-invasive and accurate diagnosis of benign and malignant pulmonary nodules faces great challenges. In this study, we develop a nano zero-valent iron(nZVI)-assisted laser desorption/ionization mass spectrometry(LDI MS) platform, which enables ultra-high-throughput acquisition of abundant metabolic fingerprint information of serum in negative ion mode. We further recruit a large-scale multicenter prospective cohort and collect 1099 serum samples from participants with benign and malignant nodules. The accurate machine learning models are built and validated based on n ZVI-assisted LDI MS metabolomics to achieve efficient classification of benign and malignant nodules. Using our established stacking ensemble learning model, the AUC of the ROC curve for benign and malignant lung nodule classification can be as high as 0.9, and the sensitivity can reach 85.5%, which is significantly better than existing clinical models. This work provides an integrated workflow from detection technology to diagnostic models for biomarkerbased pulmonary nodule diagnosis, which would be widely used in rapid and large-scale screening of pulmonary nodules. 展开更多
关键词 Pulmonary nodule Nano-zero-valent iron Laser desorption ionization mass spectrometry Metabolomics DIAGNOSIS
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Radioprotection and Medical Monitoring in Health Facilities in Douala, Cameroon
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作者 Owona Manga Léon Jules Mballa Amougou Jean Claude +4 位作者 Mbede Maggy Tchicaya Aimé François Giegui Chimène Pulchérie Manga Romaine Carine Mouelle Sone Albert 《Occupational Diseases and Environmental Medicine》 2025年第1期17-29,共13页
Introduction: The use of radioactive radiations in healthcare facilities must comply with radioprotection safety rules in order to avoid threatening the health of workers and patients. This study aimed to assess the w... Introduction: The use of radioactive radiations in healthcare facilities must comply with radioprotection safety rules in order to avoid threatening the health of workers and patients. This study aimed to assess the working conditions, the protective measures and the medical monitoring of workers directly involved in X-ray work at hospitals in Douala, Cameroon. Materials and Methods: A descriptive cross-sectional study was carried out during the 1st quarter of 2018, across various state and private health facilities of the city of Douala. Sampling was non-random, based on convenience and all the willing participants that fulfilled the inclusion criteria were enrolled. Quantitative analyses were conducted using EPI INFO 7.0 software and the results were presented in both univariate and bivariate forms. Results: The sample consisted of 56 men and 31 women with a mean age of 34.75 ± 8.77 years. X-ray technicians were over-represented (41.38%). Day/night shift work was the main work pattern (68.96%). The distribution of work zones A&B was known by 87.5% of the participants. Hazard warning signs were effective in work zones A and B (75.86%), and the walls of the premises were also reinforced in these work zones (88.51%), but the use of radiation dosimeters was rare (9.20%). Radiation aprons (94.30%) and hand-held dosimeters (63.20%) were the most commonly used personal protective equipment. The majority of the participants did not benefit from medical follow-up by an occupational health specialist (62.1%). Conclusion: The implementation of radiation protection measures remains a significant concern in Douala based health facilities, and requires stricter administrative controls and sanctions to prevent serious health consequences for exposed staff. 展开更多
关键词 Ionizing Radiation HOSPITAL Radiation Protection Medical Monitoring Douala
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Superconductivity in YbN_(4)H_(12)under low pressures
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作者 Xiang Wang Chenlong Xie +3 位作者 Haohao Hong Yanliang Wei Zhao Liu Tian Cui 《Chinese Physics B》 2025年第8期285-291,共7页
The emergence of high-temperature superconductivity in hydrogen-rich compounds has opened up promising avenues for investigating unique hydrogen motifs that exhibit exceptional superconducting properties.Nevertheless,... The emergence of high-temperature superconductivity in hydrogen-rich compounds has opened up promising avenues for investigating unique hydrogen motifs that exhibit exceptional superconducting properties.Nevertheless,the requirement for extremely high synthesis pressures poses significant barriers to experimentally probing potential physical properties.Here,we have designed a structure wherein NH_(3)tetrahedra are intercalated into the body-centered cubic lattice of Yb,resulting in the formation of Yb(NH_(3))_(4).Our first-principles calculations reveal that metallic behavior emerges from the ionization of sp^(3)-hybridized s-bonds in NH_(3),which is enabled by electron transfer from ytterbium orbitals to NH_(3)anti-bonding s-orbitals.A distinctive feature of this structure is the Fermi surface nesting,which leads to optical phonon softening and consequently enhances electron-phonon coupling.The subsequent density-functional theory(DFT)calculations demonstrate that this I-43m phase of Yb(NH_(3))4 exhibits a superconducting critical temperature(T_(c))of 17.32 K under a modest pressure of 10 GPa.Our investigation presents perspectives on achieving phonon-mediated superconductivity at relatively low pressures,thereby opening up extensive possibilities for the attainment of high-temperature superconductivity in hydrogen-based superconducting systems with specific ionized molecular groups. 展开更多
关键词 SUPERCONDUCTIVITY HYDRIDE low pressures ionized molecular groups
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Cannabidiol:Rescuing hematopoietic stem cells from radiation-induced injury
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作者 LIU Qingjie 《World Journal of Integrated Traditional and Western Medicine》 2025年第3期207-210,共4页
Bone marrow serves as the life-long home for hemato-poietic stem cells(HSCs)and is the most radio-sensitive organ^([1]).Acute ionizing radiation exceeding 1 Gray(Gy)causes severe damage in bone marrow while no effecti... Bone marrow serves as the life-long home for hemato-poietic stem cells(HSCs)and is the most radio-sensitive organ^([1]).Acute ionizing radiation exceeding 1 Gray(Gy)causes severe damage in bone marrow while no effective drug has been approved in clinical.In a recent work pub-lished in MedComm,Gao and her team reported,for the first time,cannabidiol(CBD)as an outstanding radioprotection agent targeting acute radiation-induced hematopoietic injury^([2]).Within two weeks post radiation,CBD can pro-mote the stemness of hematopoietic stem cells to a regular level.Using single-cell RNA sequencing(scRNA-seq)and functional assay,the authors decoded molecular changes underlying radiation-induced damage and CBD-induced recovery in HSCs. 展开更多
关键词 CANNABIDIOL RADIOPROTECTION acute radiation radioprotection agent STEMNESS hematopoietic stem cells bone marrow ionizing radiation
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Temperature-controlled electrospray ionization tandem mass spectrometry study on protein/small molecule interaction
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作者 Wen Su Siying Liu +3 位作者 Qingfu Zhang Zhongyan Zhou Na Wang Lei Yue 《Chinese Chemical Letters》 2025年第5期658-662,共5页
Traditional electrospray ionization tandem mass spectrometry(ESI-MS^(n))has been a powerful tool in diverse research areas,however,it faces great limitations in the study of protein-small molecule interactions.In this... Traditional electrospray ionization tandem mass spectrometry(ESI-MS^(n))has been a powerful tool in diverse research areas,however,it faces great limitations in the study of protein-small molecule interactions.In this article,the state-of-the-art temperature-controlled electrospray ionization tandem mass spectrometry(TC-ESI-MS^(n))is applied to investigate interactions between ubiquitin and two flavonol molecules,respectively.The combination of collision-induced dissociation(CID)and MS solution-melting experiments facilitates the understanding of flavonol-protein interactions in a new dimension across varying temperature ranges.While structural changes of proteins disturbed by small molecules are unseen in ESI-MS^(n),TC-ESI-MS^(n)allows a simultaneous assessment of the stability of the complex in both gas and liquid phases under various temperature conditions,meanwhile investigating the impact on the protein’s structure and tracking changes in thermodynamic data,and the characteristics of structural intermediates. 展开更多
关键词 Protein-small molecule interaction Electrospray ionization Tandem mass spectrometry UBIQUITIN FLAVONOL
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Diverse carrier mobilities in halide perovskites:The role of conductive network and ionized impurity scattering
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作者 Yasong Wu Lu Liu +4 位作者 Jinyan Ning Di Qiu Shenghao Wang Jinyang Xi Jiong Yang 《Journal of Materials Science & Technology》 2025年第1期245-254,共10页
In past decades,ABX_(3) halide perovskites have attracted great interest in solar cells due to excellent opto-electronic properties,such as high carrier mobility.However,instability and toxicity are obstacles on the c... In past decades,ABX_(3) halide perovskites have attracted great interest in solar cells due to excellent opto-electronic properties,such as high carrier mobility.However,instability and toxicity are obstacles on the commercial route for perovskites.Many studies have turned to exploring A_(2) BX_(6) and A_(3) B_(2) X_(9) for better stability.Unfortunately,the carrier mobilities of these two types are inferior to ABX_(3),lower by an order of magnitude.Furthermore,the mobility of ABX_(3) is distributed over a large range of 1.78-4500 cm^(2) V^(−1) s^(−1) in experiments,which contributes to another diversity of mobilities.In this paper,we aim at reveal-ing the physical origin of the above-mentioned diversities by theoretical studies on CsBX_(3),Cs_(2) BX_(6),and Cs_(3) B_(2) X_(9)(B=Sn,Pb,Sb,Bi,X=Br,Cl).The difference in group velocities is the major reason responsible for the variation in these types.The unique three-dimensional connected conductive network of CsBX_(3) determines its large group velocity.As for carrier scattering,ionized impurity scattering dominates at low carrier and high ionized impurity concentrations.Detailed analysis reveals that band degeneracy is strongly related to the impurity scattering rate,while dielectric constant is almost immune.Our study provides a better understanding of the relationship between electronic structures and mobilities for po-tential applications in photovoltaics. 展开更多
关键词 First-principles calculation Metal halide perovskite Electronic structure MOBILITY Ionized impurity scattering
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The characterization of ambient levoglucosan in Beijing during summertime:Dynamic variation and source contributions under strong cooking influences
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作者 Jun Wang Weiwei Hu +17 位作者 Tianle Pan Yingkun Wang Wei Chen Tingting Feng Yiyu Cai Zi Tao Wenhui Zhao Zhaoce Liu Jingxiong Liu Shaofei Kong Jipeng Qi Xiaoxiao Zhang Yuwen Peng Yuan Liu Shan Huang Bin Yuan Min Shao Xinming Wang 《Journal of Environmental Sciences》 2025年第9期205-220,共16页
Particulate levoglucosan is an important tracer for biomass burning emission in ambient air.However,recent studies question its reliability as a biomass burning tracer in Chinesemega cities due to important contributi... Particulate levoglucosan is an important tracer for biomass burning emission in ambient air.However,recent studies question its reliability as a biomass burning tracer in Chinesemega cities due to important contribution from potential non-biomass burning sources,such as cooking.To address this,we examined the dynamic variation and sources of levoglucosan using a chemical ionization mass spectrometer and other advanced instruments during Beijing’s summer of 2021.The average mass concentration of levoglucosan and its isomer(C_(6)H_(10)O_(5))was 0.025±0.014μg/m^(3),constituting 0.55%±0.32%of total organic carbon(OC)in this campaign.Despite cooking emissions contributing significantly to the organic aerosol(OA,20%),levoglucosan and its isomers correlated more strongly with biomass-burning related tracers(R>0.6),black carbon(R=0.72)and less so with cooking-related sources(R=0.3).This indicates that levoglucosan is primarily dominated by biomass-burning emissions rather than cooking in Beijing’s urban areas during summertime.The diurnal variation of levoglucosan concentrations highlighted the importance of daytime and nocturnal biomass burning emissions during polluted periods in Beijing.Using levoglucosan as a tracer to quantify the biomass burning OC(BBOC),we found good agreement on the time series of BBOC between the tracermethod and other independent source apportionmentmethod.This reaffirms the reliability of levoglucosan as a biomass burning tracer.Biomass burning contributed an average of 7%-8%to OC,highlighting its significant impact on Beijing’s summer air quality.Our study enhances understanding of biomass burning influences on ambient aerosol in typical urban areas. 展开更多
关键词 LEVOGLUCOSAN Biomass burning Tracer method COOKING Chemical ionization mass spectrometer(CIMS) Online measurement
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Multi-instrumental observations of nighttime X-pattern of equatorial ionization anomaly during magnetically quiet time: case study
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作者 XinYi Rang Chao Xiong +6 位作者 YuHao Zheng Jing Liu Yu Jiao ShunZu Gao YuYang Huang Xin Wan Fan Yin 《Earth and Planetary Physics》 2025年第2期410-423,共14页
In this study, we provide a detailed case study of the X-pattern of equatorial ionization anomaly(EIA) observed on the night of September 12, 2021 by the Global-scale Observations of the Limb and Disk(GOLD) mission. U... In this study, we provide a detailed case study of the X-pattern of equatorial ionization anomaly(EIA) observed on the night of September 12, 2021 by the Global-scale Observations of the Limb and Disk(GOLD) mission. Unlike most previous studies about the X-pattern observed under the severely disturbed background ionosphere, this event is observed under geomagnetically quiet and low solar activity conditions. GOLD's continuous observations reveal that the X-pattern intensity evolves with local time, while its center's longitude remains constant. The total electron content(TEC) data derived from the ground-based Global Navigation Satellite System(GNSS) network aligns well with GOLD observations in capturing the formation of the X-pattern, extending coverage to areas beyond GOLD's observational reach. Additionally, the ESA's Swarm mission show that both sides of the X-pattern can coincide with the occurrence of small-scale equatorial plasma bubbles(EPBs). To further analyze the possible drivers of the X-pattern, observations from the Ionospheric Connection Explorer(ICON) satellite were used. It shows that the latitudinal expansion(or width) between the EIA crests in two hemispheres is proportional(or inversely proportional) to the upward(or downward) plasma drift velocity, which suggests that the zonal electric field should have a notable influence on the formation of EIA X-pattern. Further simulations using the SAMI2 model support this mechanism, as the X-pattern of EIA is successfully reproduced by setting the vertical plasma drift to different values at different longitudes. 展开更多
关键词 nighttime ionosphere equatorial ionization anomaly X-pattern GOLD mission plasma irregularities
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Benchmarking model chemistry composite calculations for vertical ionization potential of molecular systems
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作者 Bingwei Wang Yihong Ding Xiao Tian 《Chinese Chemical Letters》 2025年第2期508-511,共4页
In chemical science,the vertical ionization potential(VIP)is a crucial metric for understanding the electronegativity,hardness and softness of chemical material systems as well as the electronic structure and stabilit... In chemical science,the vertical ionization potential(VIP)is a crucial metric for understanding the electronegativity,hardness and softness of chemical material systems as well as the electronic structure and stability of molecules.Ever since the last century,the model chemistry composite methods have witnessed tremendous developments in computing the thermodynamic properties as well as the barrier heights.However,their performance in realm of the vertical electron processes of molecular systems has been rarely explored.In this study,we for the first time benchmarked the model chemistry composite methods(e.g.,CBS-QB3,G4 and W1BD)in comparison with the commonly used Koopmans's theorem(KT),electron propagator theory(e.g.,OVGF,D2,P3 and P3+)and CCSD(T)methods in calculating the VIP for up to 613 molecular systems with available experimental measurements.The large-scale test calculations strongly showed that the CBS-QB3 model chemistry composite technique can be well recommended to calculate VIP from the perspectives of accuracy,economy and applicability.Notably,the VIP values of up to 7 molecules were identified to have the absolute errors of larger than 0.3 e V at all calculation levels,which have strong hints that their VIP experimental values should be re-investigated. 展开更多
关键词 Model chemistry Vertical ionization potential Composite methods Molecular systems CBS-QB3
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Semiclassical Coulomb-scattering model for strong-field tunneling ionization
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作者 Qing Zhao Yigen Peng +4 位作者 Jiayin Che Chao Chen Shang Wang Guoguo Xin Yanjun Chen 《Chinese Physics B》 2025年第9期160-167,共8页
This study analytically examines the ionization of atoms in strong near-circular laser fields.The classic Keldysh-Rutherford(KR)Coulomb-scattering(CS)model[Phys.Rev.Lett.121123201(2018)]successfully explained the atto... This study analytically examines the ionization of atoms in strong near-circular laser fields.The classic Keldysh-Rutherford(KR)Coulomb-scattering(CS)model[Phys.Rev.Lett.121123201(2018)]successfully explained the attoclock experimental curve for the H atom at lower laser intensities.Here,we develop a semiclassical model that includes the initial conditions related to the quantum properties of tunneling in the KR model at the beginning of the scattering process.This model is able to explain recent attoclock experimental curves over a wider range of laser and atomic parameters.Our results show the importance of system symmetry and quantum effects in attoclock measurements,suggesting the complex role of the Coulomb potential in strong-field ionization. 展开更多
关键词 tunneling ionization Coulomb scattering attoclock
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Tracing molecular margins of lung cancer by internal extractive electrospray ionization mass spectrometry
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作者 Haiyan Lu Jiayue Ye +4 位作者 Yiping Wei Hua Zhang Konstantin Chingin Vladimir Frankevich Huanwen Chen 《Chinese Chemical Letters》 2025年第2期465-469,共5页
Accurate determination of lung cancer margins at the molecular level is of great significance to determine the optimal extent of resection during surgical operation and reduce the risk of postoperative recurrence.In t... Accurate determination of lung cancer margins at the molecular level is of great significance to determine the optimal extent of resection during surgical operation and reduce the risk of postoperative recurrence.In this study,internal extractive electrospray ionization mass spectrometry(i EESI-MS)was used to trace potential molecular tumor margins in lung cancer tissue.Molecular differential model for the determination of lung cancer tumor margin was established via partial least-squares discriminant analysis(PLS-DA)of iEESI-MS data collected from lung tissue pieces within cancer tumor area and iEESI-MS data collected from lung tissue pieces outside cancer tumor area.Proof-of-concept data demonstrate that the developed molecular differential model yields ca.1-2 mm wider potential molecular tumor margin of a lung cancer compared to the conventional histological analysis,showing promising potential of iEESI-MS to increase the accuracy of tumor margins determination and lower risk of lung cancer postoperative recurrence.Furthermore,our results revealed that creatine and taurine showed positive correlations with lung cancer. 展开更多
关键词 Lung cancer Tumor margins Internal extractive electrospray ionization Mouse models Postoperative recurrence
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Ionization and Dissociation of Molecules Triggered by Intense Femtosecond Laser Pulses
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作者 Sufan Wang Chengyin Wu 《Chinese Journal of Chemical Physics》 2025年第5期523-530,I0147,共9页
Ionization and dissociation are fundamental processes that molecules undergo in intense femtosecond laser fields.Professor Fanao Kong is a pioneering researcher in this field within China.He has developed an orbital-b... Ionization and dissociation are fundamental processes that molecules undergo in intense femtosecond laser fields.Professor Fanao Kong is a pioneering researcher in this field within China.He has developed an orbital-based molecular ionization model and a laser field-assisted molecular dissociation model to elucidate experimental observations and predict potential applications.The predictions of these models have been corroborated by subsequent theoretical and experimental studies.This review highlights Professor Kong’s significant contributions to the study of molecular ionization and dissociation in intense femtosecond laser fields,emphasizing key advancements and outlining future directions in the field of strong-field laser chemistry. 展开更多
关键词 Molecular ionization Molecular dissociation Intense femtosecond laser Strong-field laser chemistry Attosecond chemistry
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Study of the relationship between magnetic field gradient and operating range of flow rate for Hall thrusters
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作者 Chao ZHONG Hong LI +1 位作者 Shuo HU Daren YU 《Plasma Science and Technology》 2025年第6期1-7,共7页
The development of all-electric,low-orbit satellite constellations requires low-power Hall thrusters with a wide thrust output.However,the efficiency at low flow rates decreases rapidly due to the deterioration of ion... The development of all-electric,low-orbit satellite constellations requires low-power Hall thrusters with a wide thrust output.However,the efficiency at low flow rates decreases rapidly due to the deterioration of ionization.Although magnetic fields are widely used to optimize Hall thrusters,they are rarely used in wide-range variable flow conditions.In this study,we investigate the influence of the magnetic field gradient on the flow-rate range experimentally.It is found that a small-gradient magnetic field is helpful to improve performance at low flow rates.Then,the experimental results are explained by theoretical deduction,and the quantitative relationship between the flow rate and gradient is given.These conclusions provide guidance and a theoretical basis for designing high-performance,wide-range Hall thrusters. 展开更多
关键词 electric propulsion magnetic field gradient wide-range variable flow ionization criterion
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Channel competition in dissociation of ammonia clusters(n≤5)induced by femtosecond laser fields
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作者 Tao Yang Xinyu Zhang +5 位作者 Xing Li Wankai Li Menghao Wei Dongdong Zhang Lanhai He Dajun Ding 《Chinese Physics B》 2025年第3期355-359,共5页
We investigated the ionization and dissociation processes of ammonia clusters ranging from dimer to pentamer induced by 800-nm femtosecond laser fields.Time-of-flight(TOF)mass spectra of the ammonia clusters were reco... We investigated the ionization and dissociation processes of ammonia clusters ranging from dimer to pentamer induced by 800-nm femtosecond laser fields.Time-of-flight(TOF)mass spectra of the ammonia clusters were recorded over a range of laser intensities from 2.1×10^(12)W/cm^(2) to 5.6×10^(12)W/cm^(2).The protonated ion signals dominate the spectra,which is consistent with the stability of the geometric structures.The ionization and dissociation channels of ammonia clusters are discussed.The competition and switching among observed dissociation channels are revealed by analyzing the variations in the relative ionic yields of specific protonated and unprotonated clusters under different laser intensities.These results indicate that the ionization of the neutral multiple-ammonia units,produced through the dissociation of cluster ions,may start to contribute,as well as the additional processes to consume protonated ions and/or produce unprotonated ions induced by the femtosecond laser fields when the laser intensity is above^4×10^(12)W/cm^(2).These findings provide deeper insights into the ionization and dissociation dynamics in multi-photon ionization experiments involving ammonia clusters. 展开更多
关键词 ammonia cluster ionization and dissociation femtosecond laser
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On-line determination of selenium compounds in tea infusion by extractive electrospray ionization mass spectrometry combined with a heating reaction device
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作者 Lu Huang Jiang Wang +2 位作者 Hong Jiang Lanfang Chen Huanwen Chen 《Chinese Chemical Letters》 2025年第1期496-500,共5页
Selenium is one of the important trace elements in the human body.Its deficiency will directly affect human health.With people's attention to health,the content of selenium in food has gradually attracted attentio... Selenium is one of the important trace elements in the human body.Its deficiency will directly affect human health.With people's attention to health,the content of selenium in food has gradually attracted attention.However,detecting selenium compounds in complex samples remains a challenge.In this work,we built an online heating-reaction device.This device combines the electrospray extraction ionization mass spectrometry(EESI-MS)with the heating reaction device,which can simultaneously detect various selenium compounds in complex liquid samples.Under acidic conditions,the sample was heated and catalyzed by a heating reaction device,so that the SeO~(2-)_(3)and O-phenylenediamine(OPD)could generate 1,3-dihydro-2,1,3-benzoselenadiazole.Based on the above reactions,we can detect organic selenium,inorganic selenium and other compounds in liquid samples by organic mass spectrometry.In this experiment,we determined the content of three forms of selenium:selenomethionine(SeMet),l-selenocystine(SeCys(2)),and sodium selenite.The calibration curves for SeMet,SeCys(2),and sodium selenite showed strong linearity within a range of 0.50-50.00μg/L.The limits of detection(LOD)for the three compounds were 0.22,0.27,and 0.41μg/L,respectively.The limits of quantification(LOQ)were 0.68,0.81,and 1.23μg/L,respectively.Spiked recoveries at three levels ranged from 98.8%to 106.1%.In addition,this method can simultaneously detect three selenium compounds and three other specific chemical components in tea infusion samples,providing a rapid and efficient method for identifying tea quality. 展开更多
关键词 Heating reaction device Extractive electrospray ionization mass spectrometry Inorganic selenium Selenium compounds Tea infusion
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