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941.
Fluorescence imaging in the second near-infrared region(900-1700 nm, NIR-II) with a high resolution and penetration depth due to the significantly reduced tissue scattering and autofluorescence has emerged as a useful tool in biomedical fields. Recently, many efforts have been devoted to the development of fluorophores with an emission band covering the long-wavelength end of NIR-II region(1500-1700 nm) to eliminate the autofluorescence. Alternatively, we believe imaging with a narrow bandwidth could also reduce the autofluorescence. As a proof of concept, NaYF4:Yb,Nd@NaYF4 downconversion nanoparticles(DCNPs) with sharp NIR-II emission were synthesized. The luminescence of DCNPs showed a half-peak width of 49 nm centered at 998 nm, which was perfectly matched with a (1000±25) nm bandpass filter. With this filter, we were able to retain most of the emissions from the nanoparticles, while the autofluorescence was largely reduced. After PEGylation, the DCNPs exhibited great performance for blood vessel and tumor imaging in living mice with significantly reduced autofluorescence and interference signals. This work provided an alternative way for the low-autofluorescence imaging and emphasized the importance of narrow emitting rare-earth doped nanoparticles for NIR-II imaging. 相似文献
942.
Daozhong Hu Lai Chen Jun Tian Yuefeng Su Ning Li Gang Chen Yulu Hu Yueshan Dou Shi Chen Feng Wu 《中国化学》2021,39(1):165-173
Lithium plating on graphite anode is triggered by harsh conditions of fast charge and low temperature, which significantly accelerates SOH (state of health) degradation and may cause safety issues of lithium ion batteries (LIBs). This paper has reviewed recent research progress of lithium plating on graphite anode. Firstly, we summarize the forming mechanisms of Li plating with corresponding influence factors, the detecting methods and hazard of Li plating. Then, approaches to suppress Li plating are discussed, including anode surface modification, electrolyte composition optimization and development of optimal charge strategies. Finally, we conclude and propose the remaining challenges and prospects in terms of mechanism research, detecting approaches, and suppressing methods of Li plating. This review highlights the development of Li plating research and plays a guiding rule of further study on Li plating in LIBs. 相似文献
943.
944.
Journal of Thermal Analysis and Calorimetry - In the present work, pyrolysis kinetic mechanism was studied for regenerated cellulosic fiber (RCF) and composite RCF containing silicon/nitrogen flame... 相似文献
945.
Dr. Naixia Lv Jie Yin Wendi Fu Jinrui Zhang Yujun Li Dr. Ding Jiang Dr. Hongping Li Prof. Wenshuai Zhu 《Chemphyschem》2021,22(2):168-177
The rational design of highly active hexagonal boron nitride (h-BN) catalysts at the atomic level is urgent for aerobic reactions. Herein, a doping impurity atom strategy is adopted to increase its catalytic activities. A series of doping systems involving O, C impurities and B, N antisites are constructed and their catalytic activities for molecular O2 have been studied by density functional theory (DFT) calculations. It is demonstrated that O2 is highly activated on ON and BN defects, and moderately activated on CB and CN defects, however, it is not stable on NB and OB defects. The subsequent application in oxidative desulfurization (ODS) reactions proves the ON and C-doped (CB, CN) systems to be good choice for sulfocompounds oxidization, especially for dibenzothiophene (DBT). While the BN antisite is not suitable for such aerobic reaction due to the extremely stable B−O*−B species formed during the oxidation process. 相似文献
946.
Cyanide Bridged Platinum-Iron Complexes as Cisplatin Prodrug Systems: Design and Computational Study
Dr. Ariela W. Kaspi-Kaneti Srijana Bhandari Dr. Alexander Schubert Prof. Songping D. Huang Prof. Barry D. Dunietz 《Chemphyschem》2021,22(1):106-111
The potential role of cyanide-bridged platinum-iron complexes as an anti-cancer Pt(IV) prodrug is studied. We present design principles of a dual-function prodrug that can upon reduction dissociate and release concurrently six cisplatin units and a ferricyanide anion per prodrug unit. The prodrug molecule is a unique complex of hepta metal centers consisting of a ferricyanide core with six Pt(IV) centers each bonded to the Fe(III) core through a cyano ligand. The functionality of the prodrug is addressed through density functional theory (DFT) calculations. 相似文献
947.
Herein, we report an addition to the toolbox for the monitoring and quantification of the hydrolytic decay of pentose-1-phosphates, which are known to be elusive and difficult to quantify. This communication describes how apparent equilibrium shifts of a nucleoside phosphorolysis reaction can be employed to calculate hydrolytic loss of pentose-1-phosphates based on the measurement of post-hydrolysis equilibrium concentrations of a nucleoside and a nucleobase. To demonstrate this approach, we assessed the stability of the relatively stable ribose-1-phosphate at 98 °C and found half-lives of 1.8–11.7 h depending on the medium pH. This approach can be extended to other sugar phosphates and related reaction systems to quantify the stability of UV-inactive and hard-to-detect reaction products and intermediates. 相似文献
948.
Mary Marshall Zhaoguo Zhu Rachel Harris Prof. Dr. Kit H. Bowen Wei Wang Jie Wang Chu Gong Prof. Dr. Xinxing Zhang 《Chemphyschem》2021,22(1):5-8
Thorium and its compounds have been widely investigated as important nuclear materials. Previous research focused on the potential use of thorium hydrides, such as ThH2, ThH4, and Th4H15, as nuclear fuels. Here, we report studies of the anion, ThH5−, by anion photoelectron spectroscopy and computations. The resulting experimental and theoretical vertical detachment energies (VDE) for ThH5− are 4.09 eV and 4.11 eV, respectively. These values and the agreement between theory and experiment facilitated the characterization of the structure of the ThH5− anion and showed its neutral counterpart, ThH5 to be a superhalogen. ThH5−, which exhibits a C4v structure with five Th−H single bonds, possesses the largest known H/M ratio among the actinide elements, M. The adaptive natural density partitioning (AdNDP) method was used to further analyze the chemical bonding of ThH5− and to confirm the existence of five Th−H single bonds in the ThH5− molecular anion. 相似文献
949.
Prof. Dr. Wilfred F. van Gunsteren Prof. Xavier Daura Dr. Patrick F. J. Fuchs Prof. Niels Hansen Prof. Dr. Bruno A. C. Horta Prof. Dr. Philippe H. Hünenberger Prof. Dr. Alan E. Mark Dr. Maria Pechlaner Prof. Dr. Sereina Riniker Prof. Dr. Chris Oostenbrink 《Chemphyschem》2021,22(3):264-282
Computer simulations of molecular systems enable structure-energy-function relationships of molecular processes to be described at the sub-atomic, atomic, supra-atomic or supra-molecular level and plays an increasingly important role in chemistry, biology and physics. To interpret the results of such simulations appropriately, the degree of uncertainty and potential errors affecting the calculated properties must be considered. Uncertainty and errors arise from (1) assumptions underlying the molecular model, force field and simulation algorithms, (2) approximations implicit in the interatomic interaction function (force field), or when integrating the equations of motion, (3) the chosen values of the parameters that determine the accuracy of the approximations used, and (4) the nature of the system and the property of interest. In this overview, advantages and shortcomings of assumptions and approximations commonly used when simulating bio-molecular systems are considered. What the developers of bio-molecular force fields and simulation software can do to facilitate and broaden research involving bio-molecular simulations is also discussed. 相似文献
950.
Dr. Andrew M. Turner Dr. Sankhabrata Chandra Prof. Ryan C. Fortenberry Prof. Dr. Ralf I. Kaiser 《Chemphyschem》2021,22(10):985-994
Ices of acetylene (C2H2) and ammonia (NH3) were irradiated with energetic electrons to simulate interstellar ices processed by galactic cosmic rays in order to investigate the formation of C2H3N isomers. Supported by quantum chemical calculations, experiments detected product molecules as they sublime from the ices using photoionization reflectron time-of-flight mass spectrometry (PI-ReTOF-MS). Isotopically-labeled ices confirmed the C2H3N assignments while photon energies of 8.81 eV, 9.80 eV, and 10.49 eV were utilized to discriminate isomers based on their known ionization energies. Results indicate the formation of ethynamine (HCCNH2) and 2H-azirine (c-H2CCHN) in the irradiated C2H2:NH3 ices, and the energetics of their formation mechanisms are discussed. These findings suggest that these two isomers can form in interstellar ices and, upon sublimation during the hot core phase, could be detected using radio astronomy. 相似文献