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ANALYTICAL CHEMISTRY · 2023 · IF 7.4

SR-Unet: A Super-Resolution Algorithm for Ion Trap Mass Spectrometers Based on the Deep Neural Network

Jiawen Ai,Weize Zhao,Quan Yu,Xiang Qian,Jianhua Zhou,Xinming Huo,Fei Tang

The mass spectrometer is an important tool for modern chemical analysis and detection. Especially, the emergence of miniature mass spectrometers has provided new tools for field analysis and detection. The resolution of a mass spectrometer reflects the ability of the instrument to discriminate between adjacent mass-to-charge ratio ions, and the higher the resolution, the better the discrimination of complex mixtures. Quadrupole ion traps are generally considered as a low-resolution mass spectrometry method, but they have gained wide attention and development in recent years because of their suitability for miniaturization and high qualitative capability. For an ion trap mass spectrometer, the mass sensitivity and resolution can be mutually constrained and need to be balanced by setting an appropriate scanning speed. In this study, a super-resolution U-net algorithm (SR-Unet) is proposed for ion trap mass spectrometry, which can estimate the possible ions from the overlapping ion peaks of low-resolution spectra and improve the equivalent resolution while ensuring sufficient sensitivity and analysis speed of the instrument. By determining the mass spectra of a linear ion trap mass spectrometer (LTQ XL) in Turbo and Normal scan modes, the same unit mass resolution as that at a scan speed of 16,667 Da/s was successfully obtained at 125,000 Da/s. Also, the experiments demonstrated that the algorithm is capable of the mass-to-charge ratio and instrument migration. SR-Unet can be migrated and applied to a miniature mass spectrometer for cruise detection of volatile organic compounds (VOCs), and the identification of VOC species in Photochemical Assessment Monitoring Stations (PAMS) was improved from 31 to 50 species with the same monitoring and analysis speed requirement. Further, super-unit mass resolution peptide detection was achieved on a miniature mass spectrometer with the help of the SR-Unet algorithm, which reduced the full width at half-maxima (FWHM) of bradykinin divalent ions (m/z 531) from 0.35 to 0.15 Da at a scan speed of 375 Da/s and improved the equivalent resolution to 3540. The proposed method provides a new idea to enhance the field mixture detection capability of miniature ion trap mass spectrometers.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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JOURNAL OF PHYSICS D-APPLIED PHYSICS · 2023 ·Vol. 56 ·期 38 ·384002 · IF 3.4

Methyl and carbon–carbon double bond in anhydride molecules modulated surface charge trap depth of epoxy materials

Yushun Zhao,Yufan Xu,Gilbert Teyssèdre,Jianyi Xue,Yanning Zhao,Bin Du

Epoxy insulators in gas insulated switchgear and gas insulated transmission lines tend to accumulate surface charges, leading to insulation flashover. Improving the surface trap characteristics of epoxy materials, which can accelerate the surface charge dissipation of epoxy insulators, is a promising method to improve the surface insulation performance. The surface trap characteristics of epoxy materials are strongly influenced by the chemical groups in the acid anhydride molecules. In this work, by quantum chemical calculations and isothermal surface potential decay tests, taking six organic anhydrides that differ only in the methyl and carbon–carbon double bonds, we find the modulation laws of methyl and carbon–carbon double bonds on the charge trap depth within and between molecular chains. The regulation mechanism is revealed from the microscopic perspectives of electron energy structure and electron cloud offset. The changes of surface charge trap depth of epoxy materials are primarily attributed to the changes in the spatial distribution of the electron cloud density between and on the valence bonds caused by the interaction between the electron-donating methyl group and the electron-absorbing carbon–carbon double bond.

CAS / MDL: 103-83-3
研究领域: 材料科学 · 化学
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ACS Nano · 2024 · IF 15.8

Apoptosis and Paraptosis Induced by Disulfiram-Loaded Ca2+/Cu2+ Dual-Ions Nano Trap for Breast Cancer Treatment

Zhenhu Guo,Xiaohan Gao,Jingsong Lu,Ying Li,Zeping Jin,Abdul Fahad,Neema Ufurahi Pambe,Hirotaka Ejima,Xiaodan Sun,Xiumei Wang,Wensheng Xie,Guifeng Zhang,Lingyun Zhao

Regarded as one of the hallmarks of tumorigenesis and tumor progression, the evasion of apoptotic cell death would also account for treatment resistance or failure during cancer therapy. In this study, a Ca2+/Cu2+ dual-ion “nano trap” to effectively avoid cell apoptosis evasion by synchronously inducing paraptosis together with apoptosis was successfully designed and fabricated for breast cancer treatment. In brief, disulfiram (DSF)-loaded amorphous calcium carbonate nanoparticles (NPs) were fabricated via a gas diffusion method. Further on, the Cu2+-tannic acid metal phenolic network was embedded onto the NPs surface by self-assembling, followed by mDSPE-PEG/lipid capping to form the DSF-loaded Ca2+/Cu2+ dual-ions “nano trap”. The as-prepared nanotrap would undergo acid-triggered biodegradation upon being endocytosed by tumor cells within the lysosome for Ca2+, Cu2+, and DSF releasing simultaneously. The released Ca2+ could cause mitochondrial calcium overload and lead to hydrogen peroxide (H2O2) overexpression. Meanwhile, Ca2+/reactive oxygen species-associated mitochondrial dysfunction would lead to paraptosis cell death. Most importantly, cell paraptosis could be further induced and strengthened by the toxic dithiocarbamate (DTC)–copper complexes formed by the Cu2+ combined with the DTC, the metabolic products of DSF. Additionally, the released Cu2+ will be reduced by intracellular glutathione to generate Cu+, which can catalyze the H2O2 to produce a toxic hydroxyl radical by a Cu+-mediated Fenton-like reaction for inducing cell apoptosis. Both in vitro cellular assays and in vivo antitumor evaluations confirmed the cancer therapeutic efficiency by the dual ion nano trap. This study can broaden the cognition scope of dual-ion-mediated paraptosis together with apoptosis via a multifunctional nanoplatform.

研究领域: 癌症生物学 · 纳米技术 · 药学 · 细胞生物学 · 治疗学
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CERAMICS INTERNATIONAL · 2023 · IF 5.2

Trap engineering in ZnGa2O4:Tb3+ through Bi3+ doping for multi-modal luminescence and advanced anti-counterfeiting strategy

Yiping Wu,Meng Wu,Jingjie Yu,Yuru Wang,Jinlong Wang,Yingwei Xu,Yanjie Zhang

Optical information encryption based on luminescence materials have received much attention recently. However, the single luminescence mode of the luminescence materials greatly limits its anti-counterfeiting application with high safety level. Here, a series of luminescence materials of Tb 3+ and Bi 3+ co-doped ZnGa 2 O 4 phosphors with great correspondence in photoluminescence (PL), persistent luminescence (PersL), and thermoluminescence (TL) modes was synthesized by the conventional solid-phase method for the application in multi-modal anti-counterfeiting fields. Under the excitation of 254 nm, ZnGa 1.99 O 4 :0.01 Tb 3+ , yBi 3+ (y = 0.001,0.002) sample exhibited a broad blue emission band (the transition from [GaO 6 ]) at 440 nm and the characteristic emission peaks of Tb 3+ at 495 nm, 550 nm, 591 nm and 625 nm, corresponding to the transitions of 5 D 4 - 7 F n (n = 6, 5, 4, 3), respectively. Interestingly, the co-doping of Bi 3+ ions improve the crystallinity and particle size of the phosphor, subsequently enhanced the PL intensity of Tb 3+ to 6 times that of Tb 3+ singly doped ZnGa 2 O 4 phosphor. Further, the flexible films with multi-modal luminescence properties have been fabricated through the unique TL and PersL characteristics of ZnGa 2 O 4 : Tb 3+ , Bi 3+ phosphors, including “Optical information storage film”, “snowflake and characters” and “QR code”. Moreover, a set of optical information encryption is obtained by combining ZnGa 2 O 4 :Tb 3+ , Bi 3+ phosphor and red emitting phosphor. The results indicate that ZnGa 2 O 4 :Tb 3+ , Bi 3+ phosphor with multi-modal stimulus response can be expected to be potentially used in the applications of optical information storage and anti-counterfeiting fields.

研究领域: 材料科学 · 光学工程 · 物理学
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COLLOIDS AND SURFACES B-BIOINTERFACES · 2022 · IF 5.999

A bifunctional zoledronate sustained-release system in scaffold: Tumor therapy and bone repair

Wu Di,Yang Shuai,Wang Bo,Tan Wei,He Jinpeng,Guowen Qian,Youwen Deng

It is of great challenges to repair bone defect and prevent tumor recurrence in bone tumors postoperative treatment. Bone scaffolds loaded with zoledronate (ZOL) are expected to solve these issues due to its osteogenesis and anti-tumor ability. Furthermore, ZOL needs to be sustained release to meet the requirement of long-term therapy. In this study, ZOL was loaded into amination functionalized mesoporous silicon (SBA15NH 2 ), and then incorporated into poly ( L -lactic acid) to prepare PLLA/SBA15NH 2 -ZOL scaffold via selective laser sintering technology. On one hand, ZOL of local release not only can inhibit growth and proliferation of bone tumor cells but also inhibit osteoclast differentiation through competitive binding of receptor activator of nuclear factor (NF)-kB (RANK) in osteoclast precursors. On the other hand, amination function could change the surface charge of mesoporous silica to positive charge to enhance the absorption of ZOL, mesoporous structure and abundant amino groups of SBA15NH 2 play a barrier role and form hydrogen bond with phosphate groups of ZOL, respectively, thereby achieving its sustained release. The results showed that the loading amount of ZOL was 236.53 mg/g, and the scaffold could sustainedly release ZOL for more than 6 weeks. The scaffold inhibited proliferation of osteosarcoma cells through inducing apoptosis and cell cycle arrest . TRAP staining and F-actin ring formation experiment showed the scaffold inhibited differentiation and mature of osteoclast. Pit formation assay indicated that bone resorption activity was inhibited strongly.

CAS / MDL: 919-30-2 78-10-4
研究领域: 生物医学工程 · 药剂学 · 组织工程 · 癌症治疗 · 材料科学
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Energy & Environmental Science · 2025 · IF 30.8

Aluminum Macrocycles Induced Superior High-temperature Capacitive Energy Storage for Polymer-based Dielectrics via Constructing Charge Trap Rings

Zhongbin Pan,Yu Cheng,Zhicheng Li,Pang Xi,Peng Wang,Xu Fan,Hanxi Chen,Jinjun Liu,Junfei Luo,Jinhong Yu,Minhao Yang,Jiwei Zhai,Weiping Li

Electrostatic capacitors are typically necessary to operate in harsh-temperature environments to fulfill the demanding requirements of renewable energy, electrified transportations, and advanced propulsion systems. However, achieving exceptional capacitive performance in polymer dielectrics at elevated temperatures and electric fields remains a formidable challenge owing to the exponential growth of conduction loss. Herein, we propose a new class of polymer dielectric composites comprising polyetherimide (PEI) incorporated with monodispersed aluminum macrocycle (AOC). The Al-O backbone of AOC creates a ring, where electron-rich O atoms own a strong charge scattering effect and electron-deficient Al atoms have a charge captured capability. Such a unique structure reduces both electron concentration and mobility, thereby effectively inhibiting charge transport within polymer dielectrics and significantly suppressing the high-temperature electrical conduction loss even at high electric fields. Consequently, the PEI-AOC composite exhibits the maximum discharged energy density with an efficiency above 90% of 6.57 J/cm3 and 4.4 J/cm3 at 150°C and 200 °C, which exceed those of the original dielectric by more than ten-fold under identical conditions. This work presents a groundbreaking approach to manipulate the high-temperature capacitive performance of polymer dielectrics in practical power apparatus and electronic devices.

研究领域: 材料科学 · 电气工程 · 高分子化学
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TALANTA · 2025 · IF 6.1

Portable analytical system integrating purge and trap and microplasma optical emission spectrometry for online discriminative detection of NOx

Rui Yang,Luji Yang,Jiahui Yang,Zhi-ang Li,Chengbin Zheng

Pollution caused by nitrogen oxides (NO x , mainly NO and NO 2 ) has attracted considerable attention due to its negative implications on the environment and human health. Herein, a novel, portable, and battery-operated system integrating a purge and trap (P&T) system with a miniaturized point discharge optical emission spectrometer ( μ PD-OES) was developed for monitoring atmospheric NO x . Among NO x , NO 2 can be selectively and directly absorbed by sodium hydroxide (NaOH) solution and converted to nitrite (NO 2 − ). In contrast to NO 2 , NO cannot be absorbed by NaOH and must be oxidized to NO 2 by KMnO 4 prior to its absorption. When NO 2 and NO x samplers were exposed simultaneously, NO can be calculated as the difference. The concentration of NO x in the air was determined by analyzing the NO 2 − . The obtained NO 2 − solution was purged with an argon carrier gas at a rate of 400 mL min −1 for 5 min to remove all the volatile organic compounds contained in the solution before reacting with cyclamate to generate volatile cyclohexene, which was efficiently isolated and preconcentrated by P&T. Subsequently, the cyclohexene was desorbed from the P&T unit and swept into the μ PD-OES for its detection under optimized conditions. The system demonstrated a detection limit of 0.02 ppbv (0.04 μg/m 3 ) for NO 2 , surpassing conventional methods. Precision expressed as the relative standard deviation (RSD, n = 11) was better than 3.5 %. The system was validated by analyzing two NO 2 standard gases and fourteen ambient air samples, and the obtained analytical results demonstrated its promising potential for rapid, sensitive, and precise NO x evaluation and monitoring.

CAS / MDL: 110-83-8 139-05-9
研究领域: 环境科学 · 分析化学
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JOURNAL OF CONTROLLED RELEASE · 2024 · IF 10.5

ROS-responsive sprayable hydrogel as ROS scavenger and GATA6+ macrophages trap for the prevention of postoperative abdominal adhesions

Yanjuan Huang,Xiuling Dai,Yujun Gong,Lingling Ren,Yong Luo,Yue Sun,Meixu Chen,Jingwen Jiang,Zilin Guan,Chunshun Zhao

Postoperative abdominal adhesions are a common clinical problem after surgery and can cause many serious complications. Current most commonly used antiadhesion products are less effective due to their short residence time and focus primary on barrier function. Herein, we developed a sprayable hydrogel barrier (sHA-ADH/OHA-E) with self-regulated drug release based on ROS levels at the trauma site, to serve as a smart inflammatory microenvironment modulator and GATA6 + macrophages trap for non-adherent recovery from abdominal surgery. Sulfonated hyaluronic acid (HA) conjugates modified with adipic dihydrazide (sHA-ADH), and oxidized HA conjugates grafted with epigallocatechin-3-gallate (EGCG) via ROS-cleavable boronate bonds (OHA-E) were synthesized. sHA-ADH/OHA-E hydrogel was facilely fabricated within 5 s after simply mixing sHA-ADH and OHA-E through forming dynamic covalent acylhydrazones. With good biocompatibility, appropriate mechanical strength, tunable shear-thinning, self-healing, asymmetric adhesion, and reasonable in vivo retention time, sHA-ADH/OHA-E hydrogel meets the requirements of a perfect physical barrier. Intriguingly, sulfonic acid groups endowed the hydrogel with satisfactory anti-fibroblast and macrophage attachment capability, and were demonstrated for the first time to act as polyanion traps to prevent GATA6 + macrophages aggregation. Importantly, EGCG could be intelligently released by ROS triggering to alleviate oxidative stress and promote proinflammatory M1 macrophage polarize to antiinflammatory M2 phenotype. Further, the fibrinolytic system balance was restored to reduce fibrosis. Thanks to the above advantages, the sHA-ADH/OHA-E hydrogel exhibited excellent anti-adhesion effects in a rat sidewall defect–cecum abrasion model and is expected to be a promising and clinically translatable antiadhesion barrier.

研究领域: 生物医学工程 · 药学 · 组织工程 · 外科研究
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ANALYTICAL LETTERS · 2024 · IF 1.6

Influence of the Capillary Design and Conditions upon the Transmission Efficiency of a Portable Ion Trap Mass Spectrometer

Zhixiang Huang,La Chen,Gangqiang Li,Huanhuan Hong,Lvying Kuang,Luhong Wen

The capillary is a widely used atmospheric pressure interface in mass spectrometers that may be heated to enhance the desolvation of ions. In this study, the ion transmission efficiency of a portable ion trap mass spectrometer was investigated using capillaries with different inner diameters and temperatures, different vacuum pressures, and different ion optics designs. Due to the incomplete desolvation and the space charge effect inside the miniature ion funnel, the increase of ion intensities with the inner diameter of the capillary leveled off when the inner diameter of the capillary was larger than 0.37 mm. With the increase of capillary temperature, the ion intensities first increase due to better desolvation and then decrease due to greater diffusion loss. The optimal temperature of the capillary increases with the inner diameter of the capillary and the mass-to-charge ratio of ion. In addition, the pressures of different vacuum stages also exerted remarkable effects on the sensitivity of the portable mass spectrometer. From the perspective of instrument miniaturization, optimal transmission efficiency can be obtained when the first-stage vacuum pressure is maintained from 4 to 6 mbar. For a capillary with an inner diameter of 0.37 mm, the background of mass spectrum can be significantly reduced by replacing the pinhole behind the ion funnel with an off-axis skimmer.

CAS / MDL: 23496-41-5 657-24-9
研究领域: 分析化学 · 质谱分析
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ACS Applied Materials & Interfaces · 2026 · IF 7.8

Layered Cu7.2S4@N-Doped Carbon Hybrid as a Synergistic Trap Catalyst for Polysulfide Conversion in Lithium–Sulfur Batteries

Wang Caixiang,Chen Manfang,Wang Mengqing,Tang Qin,Peng Xuewen,Ye Yongjie,Jia Xiaofei,Hou Baojun,Shu Hongbo,Wei Diye,Duan Tengfei,Wang Xianyou

Lithium–sulfur batteries (LSBs) are a leading next-generation energy storage technology, owing to their high theoretical capacity and energy density. However, the lithium polysulfide (LiPS) shuttle effect and slow redox kinetics limit the cycling stability and rate capability of LSBs. To address this challenge, a layered Cu 7.2 S 4 uniformly embedded within a nitrogen-doped carbon (NC) matrix (Cu 7.2 S 4 @NC) is synthesized and employed as a functional coating on the separator. The NC framework establishes a conductive network that enhances the confinement of LiPSs. Meanwhile, Cu 7.2 S 4 serves as catalytic centers that significantly accelerate the redox kinetics of LiPSs, thereby boosting the overall electrocatalytic activity. Electrochemical evaluations reveal that the cell with the Cu 7.2 S 4 @NC separator exhibits outstanding cycling performance, maintaining 771 mAh g –1 after 500 cycles at 0.5 C. With a sulfur loading of 5.3 mg cm –2 , the cell achieves an areal capacity of 5.5 mAh cm –1 . The cells exhibit stable cycling performance across a broad temperature range (0–60 ° C). Furthermore, combined density functional theory calculations and in situ Raman spectroscopy confirm that Cu 7.2 S 4 exhibits strong binding affinity toward LiPSs, thereby enabling efficient sequestration of these species. This work demonstrates that Cu 7.2 S 4 @NC serves as a functional catalyst capable of enabling high-performance LSBs with broad temperature adaptability.

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Advanced Materials Technologies · 2026 · IF 6

Decoupling the Impact of Deep-Trap and Band-Tail States on PbS Quantum Dot Photodetectors via Alkylamine Engineering

Huaying Zhong,Fan Fang,Jasper Guido Ebel,Qian Chen,Lixin Li,Kaiyu Luo,Yihan Song,Andong Zhong,Haibo Zhu,Xiao Wang,Kaijie Ling,Yong Xia,Haodong Tang,Wei Chen,Peter Müller-Buschbaum

Halide-capped PbS colloidal quantum dots (CQDs) prepared via solution-phase ligand exchange (SPLE) are promising materials for next-generation optoelectronic devices owing to their effective surface passivation. Nevertheless, deep traps and band-tail states in CQD solids are often intertwined, obscuring individual impacts on device performance. Here, we introduce two alkylamines, pentylamine (PA) and hexylamine (HA), as additives in a butylamine-based cosolvent system to decouple these electronic defects. The HA additive significantly suppresses deep trap states by improving halide passivation and directly coordinating with Pb on the CQD surface, whereas the PA additive promotes structural ordering and thus reduces band-tail states in CQD solids due to the formation of a 2D layered structure through its preferential interactions with the halide matrix. Incorporating the HA additive enables PbS CQD photodetectors (PDs) in zero-bias photovoltaic mode to achieve a remarkable responsivity of 0.76 A/W and an external quantum efficiency of 72% in the short-wave infrared (SWIR) region. Thus, device performance is dominated by deep traps at the CQD surface and interfacial defects in the device architecture, providing insights for high-performance CQD optoelectronic devices.

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Laser & Photonics Reviews · 2026 · IF 9.7

Trap-Mediated Energy Transfer of Localized Excitons for Efficient Mn2+ Luminescence in Highly Doped Cd-Based Perovskite Nanocrystals

Jie Hou,Bin Yang,Jun Chen,Huan Yang,Junsheng Chen,Jianyong Liu

Mn 2+ -doped nanomaterials are attractive for optoelectronic applications due to their characteristic dopant emission enabled by host-to-dopant energy transfer (ET). However, increasing Mn 2+ concentrations typically leads to severe photoluminescence (PL) quenching due to strong Mn 2+ -Mn 2+ interactions and the formation of nonradiative trap states. Here, we demonstrate that this challenge can be overcome in Cd-based perovskite nanocrystals (NCs) by exploiting localized excitons (LEs) coupled to a fast thermodynamic equilibrium with trap states. Ultrafast transient absorption spectroscopy suggests a rapid LE-trap equilibrium (∼100 ps) at room temperature. Mn 2 + doping further enhances exciton localization and redistributes the exciton population into trap states, which serve as intermediates for Dexter-type energy transfer, accelerating Mn 2 + excitation by over an order of magnitude compared to direct energy transfer from LEs. Consequently, efficient and thermally stable Mn 2+ emission is achieved at elevated dopant concentrations. The PL quantum yield exceeds that of the undoped NCs by more than 12-fold and retains 70% of its maximum value even at 20% Mn 2+ concentration in Cs 2 CdCl 4 :Mn 2+ NCs.

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