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Theoretical elaboration about the excited state dynamical behaviors for a novel fluorescent sensor
摘要： Using the density functional theory (DFT) and time‐dependent density functional theory (TDDFT) methods, we theoretically explore a novel fluorescent sensor molecule (abbreviated as “2”) (Sensors Actuat B‐Chem. 2018, 263, 585). Because of its symmetry, three stable structures can be located, ie, 2‐enol, 2‐SPT, and 2‐DPT forms in both S0 and S1 states. Via comparing the bond lengths and bond angles involved in the hydrogen bonding moieties, we find the dual intramolecular hydrogen bonds should be strengthened in the S1 state. And based on infrared (IR) vibrational simulations, we further confirm the strengthening dual hydrogen bonds. Upon the photo‐excitation process, the charge redistribution via frontier molecular orbitals (MOs) reveals the tendency of excited state intramolecular proton transfer (ESIPT) reaction. In addition, the constructed S0‐state and S1‐state potential energy curves demonstrate that the excited state single proton transfer (ESSPT) should be the most supported one from 2‐enol to 2‐SPT form. In view of the S1‐state stable 2‐SPT and 2‐DPT structures as well as the fluorescence peaks of them, we can further confirm the ESSPT mechanism for 2 chemosensor. This work not only clarifies the excited state behaviors of 2 system but also successfully explain the previous experimental phenomenon.
关键词： charge redistribution,ESIPT,potential energy curves,intramolecular hydrogen bond
更新于2025-09-23 15:23:52
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An Image Segmentation Method Based on Improved Regularized Level Set Model
摘要： When the level set algorithm is used to segment an image, the level set function must be initialized periodically to ensure that it remains a signed distance function (SDF). To avoid this defect, an improved regularized level set method-based image segmentation approach is presented. First, a new potential function is defined and introduced to reconstruct a new distance regularization term to solve this issue of periodically initializing the level set function. Second, by combining the distance regularization term with the internal and external energy terms, a new energy functional is developed. Then, the process of the new energy functional evolution is derived by using the calculus of variations and the steepest descent approach, and a partial differential equation is designed. Finally, an improved regularized level set-based image segmentation (IRLS-IS) method is proposed. Numerical experimental results demonstrate that the IRLS-IS method is not only effective and robust to segment noise and intensity-inhomogeneous images but can also analyze complex medical images well.
关键词： image segmentation,energy functional,level set,distance regularization term
更新于2025-09-23 15:23:52
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[IEEE 2018 IEEE 7th World Conference on Photovoltaic Energy Conversion (WCPEC) (A Joint Conference of 45th IEEE PVSC, 28th PVSEC & 34th EU PVSEC) - Waikoloa Village, HI, USA (2018.6.10-2018.6.15)] 2018 IEEE 7th World Conference on Photovoltaic Energy Conversion (WCPEC) (A Joint Conference of 45th IEEE PVSC, 28th PVSEC & 34th EU PVSEC) - Commercial Test of Anti-Reflective Coating on First Solar Cadmium Telluride PV Modules
摘要： Anti-reflective coatings (ARC) are commonly applied to photovoltaic (PV) modules in the solar industry to increase power and energy output. In addition to characterization of initial module power and angle of incidence modifier (IAM), it is important to verify that the expected gain is observed in commercial system operation. This analysis shows the increased performance of ARC First Solar CdTe PV modules compared to non-ARC equivalent modules in a commercial test in New South Wales, Australia. PPI analysis indicates a sustained ARC performance gain over time, suggesting good ARC durability. Detailed actual-expected analysis shows both array types performing at or above expected levels after almost 2 years in the field. ARC arrays show slightly greater benefit than predicted compared to non-ARC arrays.
关键词： CdTe thin film photovoltaics,solar power generation,performance analysis,photovoltaic systems,PV anti-reflective coatings,solar energy
更新于2025-09-23 15:23:52
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Design and Simulation of Novel Gated Integrator for the Heavy ion Beam Monitors System
摘要： In this study, the objective is to realize a Gated Integrator (GI) circuit for silicon strip, Si(Li), CdZnTe and CsI detectors etc. With the development of radioactive ion beam physics, heavy-charged particles like carbon ions have been applied to the treatment of deep-seated inoperable tumors in the therapy terminal of the Heavy ion Research Facility in Lanzhou (HIRFL) located at the Institute of Modern Physics (IMP), Chinese Academy of Sciences (CAS). A high resolution current measurement circuit was developed to monitor the beam current at 1pA range. The circuit consisted of a low current high sensitivity I/V converter and gated integrator in an energy spectroscopy. A low offset voltage precision amplifier and new guarding and shielding techniques were used in the I/V converter circuit which allowed to measure low current. This paper will show a MOS switch configuration which is used to prevent leakage current and novel technique to compensate a charge injection in the reset switch.
关键词： Noise,Gated Integrator,Energy Spectroscopy,Leakage Current Prevention,Charge Injection
更新于2025-09-23 15:23:52
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Characterization of the solar climate in Malawi using NASAs surface meteorology and solar energy (SSE) model
摘要： This paper presents the characterization of global solar radiation (GSR) for Malawi using NASA’s SSE model. The mean monthly daily GSR monthly variation in the three regions of Malawi has been investigated. It has been found that there is a general gradient in GSR in the north-south direction. This gradient correlates well with the variation of the clearness index in the same direction (r = 0.986). It has been observed that the GSR is characteristic of each region. Simple analytic polynomials have been proposed for estimating solar radiation in the traditional Northern, Central and Southern regions of Malawi. There is a strong agreement between the polynomials and the SSE model with R2 values of 0.988, 0.989 and 0.989 and root mean square errors of 0.061, 0.057 and 0.062 kWh/m2.day for the regions, respectively.
关键词： surface meteorology and solar energy (SSE) model,global solar radiation,Malawi,solar climate
更新于2025-09-23 15:23:52
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Self-Luminescing Theranostic Nanoreactors with Intraparticle Relayed Energy Transfer for Tumor Microenvironment Activated Imaging and Photodynamic Therapy
摘要： The low tissue penetration depth of external excitation light severely hinders the sensitivity of fluorescence imaging (FL) and the efficacy of photodynamic therapy (PDT) in vivo; thus, rational theranostic platforms that overcome the light penetration depth limit are urgently needed. To overcome this crucial problem, we designed a self-luminescing nanosystem (denoted POCL) with near-infrared (NIR) light emission and singlet oxygen (1O2) generation abilities utilizing an intraparticle relayed resonance energy transfer strategy. Methods: Bis[3,4,6-trichloro-2-(pentyloxycarbonyl) phenyl] oxalate (CPPO) as a chemical energy source with high reactivity toward H2O2, poly[(9,9’-dioctyl-2,7-divinylene-?uorenylene)-alt-2-methoxy-5-(2-ethyl-hexyloxy)-1,4-phenylene] (PFPV) as a highly efficient chemiluminescence converter, and tetraphenylporphyrin (TPP) as a photosensitizer with NIR emission and 1O2 generation abilities were coencapsulated by self-assembly with poly(ethyleneglycol)-co-poly(caprolactone) (PEG-PCL) and folate-PEG-cholesterol to form the POCL nanoreactor, with folate as the targeting group. A series of in vitro and in vivo analyses, including physical and chemical characterizations, tumor targeting ability, tumor microenvironment activated imaging and photodynamic therapy, as well as biosafety, were systematically investigated to characterize the POCL. Results: The POCL displayed excellent NIR luminescence and 1O2 generation abilities in response to H2O2. Therefore, it could serve as a speci?c H2O2 probe to identify tumors through chemiluminescence imaging and as a chemiluminescence-driven PDT agent for inducing tumor cell apoptosis to inhibit tumor growth due to the abnormal overproduction of H2O2 in the tumor microenvironment. Moreover, the folate ligand on the POCL surface can further improve the accumulation at the tumor site via a receptor-mediated mechanism, thus enhancing tumor imaging and the therapeutic effects both in vitro and in vivo but without any observable systemic toxicity. Conclusion: The nanosystem reported here might serve as a targeted, smart, precise, and noninvasive strategy triggered by the tumor microenvironment rather than by an outside light source for cancer NIR imaging and PDT treatment without limitations on penetration depth.
关键词： chemiluminescent imaging,H2O2,self-luminescing theranostic nanoreactors,intraparticle relayed energy transfer,PDT
更新于2025-09-23 15:23:52
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The description of quantum dielectric function for insulators over Bethe surface
摘要： A new expression for the dielectric function is suggested here, which is the Mermin–Belkacem-Sigmund (MBS) model derived from the Belkacem–Sigmund (BS) model based on the conservation of a local particle number in the Mermin model. The energy loss function expressions are reviewed analytically for both models, and these dielectric functions were used to calculate the Bethe sum rule, the energy loss function (ELF), as well as the differential inelastic inverse mean free path (DIIMP) for H2O. The indication from the results is that, compared to the BS dielectric function, the MBS dielectric function is more compatible in its consistency with the exact Bethe sum rule. The ELF for the MBS type is compatible relatively in high and low momentum transfers, while the ELF for the BS type is suitable for high-k. The two models of ELF were also applied to evaluate DIIMP for electron kinetic energy 1 keV, and these were compared with the results predicted in several ways via the SESINIPAC program, using the Mermin dielectric function and the extended Drude and Monte–Carlo method. These predicted results are in reasonable agreement with those estimated from other methods at the range of energy transfer (0–50) eV.
关键词： Bethe surface,differential inelastic inverse mean free path,local particle number,Energy loss function,dielectric function
更新于2025-09-23 15:23:52
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Influence of Discrete Pulse Energy Input at Absorption of Oxygen in the Liquid Medium
摘要： The article presents research results on the rates of dissolving oxygen of the air in water during its treatment in an aerator–oxidizer. Relationships between the oxygen dissolution rates and parameters of treatment and design of the aerator–oxidizer are esteblished.
关键词： aerator–oxidizer,discrete-pulse energy input,aeration
更新于2025-09-23 15:23:52
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Analogous Anti-Ferroelectricity in Y2O3-Coated (Pb0.92Sr0.05La0.02)(Zr0.7Sn0.25Ti0.05)O3 Ceramics and Their Energy-Storage Performance
摘要： Antiferroelectric analogous (Pb0.92Sr0.05La0.02)(Zr0.7Sn0.25Ti0.05)O3 (PSLZSnT) ceramics were prepared by the solid-state sintering method by introducing a Y2O3-coating via the self-combustion method. The synthesized Y2O3-doped PSLZSnT ceramics present pseudo-cubic structure and rather uniform microstructural morphology accompanied by relatively small grain size. Excellent energy-storage performance is obtained in the Y2O3-doped PSLZSnT ceramics, in which the value of the energy-storage density presents a linearly increasing trend within the electric field measurement range. Such excellent performance is considered as relating to the rather pure perovskite structure, high relative density accompanied by relatively small grain size, and the antiferroelectric-like polarization-electric field behavior.
关键词： oxide doping,self-combustion method,energy-storage density,perovskite structure,PSLZSnT antiferroelectric-like ceramics
更新于2025-09-23 15:23:52
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Multiphysics vibration FE model of piezoelectric macro fibre composite on carbon fibre composite structures
摘要： This paper presents a finite element (FE) model developed using commercial FE software COMSOL to simulate the multiphysical process of piezoelectric vibration energy harvesting (PVEH), involving the dynamic mechanical and electrical behaviours of piezoelectric macro fibre composite (MFC) on carbon fibre composite structures. The integration of MFC enables energy harvesting, sensing and actuation capabilities, with applications found in aerospace, automotive and renewable energy. There is an existing gap in the literature on modelling the dynamic response of PVEH in relation to real-world vibration data. Most simulations were either semi-analytical MATLAB models that are geometry unspecific, or basic FE simulations limited to sinusoidal analysis. However, the use of representative environment vibration data is crucial to predict practical behaviour for industrial development. Piezoelectric device physics involving solid mechanics and electrostatics were combined with electrical circuit defined in this FE model. The structure was dynamically excited by interpolated vibration data files, while orthotropic material properties for MFC and carbon fibre composite were individually defined for accuracy. The simulation results were validated by experiments with < 10% deviation, providing confidence for the proposed multiphysical FE model to design and optimise PVEH smart composite structures.
关键词： Energy harvesting,Multiphysics,FE,CRFP,MFC,COMSOL
更新于2025-09-23 15:23:52