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51.
Joseph Israel Gurti Prof. Xun-Lei Ding Ya-Ya Wang Yan Chen Dr. Wei Li Dr. Xin Wang 《Chemphyschem》2022,23(14):e202200124
The reaction of N2 with trinuclear niobium and tungsten sulfide clusters Nb3Sn and W3Sn (n=0–3) was systematically studied by density functional theory calculations with TPSS functional and Def2-TZVP basis sets. Dissociations of N−N bonds on these clusters are all thermodynamically allowed but with different reactivity in kinetics. The reactivity of Nb3Sn is generally higher than that of W3Sn. In the favorite reaction pathways, the adsorbed N2 changes the adsorption sites from one metal atom to the bridge site of two metal atoms, then on the hollow site of three metal atoms, and at that place, the N−N bond dissociates. As the number of ligand S atoms increases, the reactivity of Nb3Sn decreases because of the hindering effect of S atoms, while W3S and W3S2 have the highest reactivity among four W3Sn clusters. The Mayer bond order, bond length, vibrational frequency, and electronic charges of the adsorbed N2 are analyzed along the reaction pathways to show the activation process of the N−N bond in reactions. The charge transfer from the clusters to the N2 antibonding orbitals plays an essential role in N−N bond activation, which is more significant in Nb3Sn than in W3Sn, leading to the higher reactivity of Nb3Sn. The reaction mechanisms found in this work may provide important theoretical guidance for the further rational design of related catalytic systems for nitrogen reduction reactions (NRR). 相似文献
52.
Zhang Ao Kang Langlang Zhang Yinmin Ding Daqian Zhang Yongfeng 《Journal of Thermal Analysis and Calorimetry》2021,145(6):3281-3291
Journal of Thermal Analysis and Calorimetry - The thermal characteristic behaviors of two kaolinite samples selected from Qingshuihe region in Inner Mongolia in China were studied through... 相似文献
53.
We report in situ high-resolution transmission electron microscopy observing the shrinkage of single-layer giant fullerenes (GF). At temperatures approximately 2000 degrees C, the GF volume reduces by greater than one 100-fold while the fullerene shell remains intact, evolving from a slightly polygonized to a nearly spherical shape with a smaller diameter. The number of carbon atoms in the GF decreases linearly with time until the small subbuckyball cage opens and rapidly disappears. Theoretical modeling indicates that carbon atoms are removed predominantly from the weakest binding energy sites, i.e., the pentagons, leading to the constant evaporation rate. The fullerene cage integrity is attributed to the collective behavior of interacting defects. These results constitute the first experimental evidence for the "shrink-wrapping" and "hot-giant" fullerene formation mechanisms. 相似文献
54.
Chromatographia - In this study, a poly(glycidyl methacrylate) nanoparticle (PGMA NP)-coated column system with two antibiotics as selector was constructed for enantioseparation. The PGMA NP... 相似文献
55.
By solving the quantum Vlasov equation, the dynamically assisted pair production for scalar quantum electrodynamics (QED) is investigated. It is verified that this mechanism still holds true for boson pair production. Two combinations of two electric fields having different time scales under various time delays are considered; it is found that the oscillations of the momentum spectrum and the number density of created bosons decrease with increasing time delay, and the latter has a maximum value when the time delay equals zero. Furthermore, the differences in vacuum pair production between bosons and fermions are also studied, and they are helpful for distinguishing the created bosons from fermions. 相似文献
56.
Kang-Chieh Lo Chiao-Yin Sun Yu-Ju Ding Jen-Ning Tsai Kai-Ping Chang Yi-En Wen Wan-Ling Chang Shin C. Chang Ming-Fu Chang Yun-Hsin Wang Yau-Hung Chen 《Research on Chemical Intermediates》2014,40(6):2177-2185
Benzo(a)pyrene is a chemical produced during the process of making fried, roasted, and smoked foods. It remains unclear whether benzo(a)pyrene affects the early development of human organs. In this study, we used the transgenic zebrafish line Tg(wt1b:GFP) as a model to assess benzo(a)pyrene-induced kidney malformation. By soaking zebrafish embryos in benzo(a)pyrene at various doses (2, 20, and 200 ppb), only a minor effect on the survival rate was detected (0 ppb: 97.8 ± 1.9 %; 2–200 ppb: 89.1 ± 5.8–91.5 ± 8.3 %). However, benzo(a)pyrene significantly affected the development of the kidney (malformation rates ranges from 50.0 ± 3.5 to 77.4 ± 5.3 %). Various abnormalities, such as unusual curving of pronephric tubes, swollen glomerulus, and incomplete development of pronephric ducts, were observed. This study provides a rapid and effective protocol for the evaluation of the notable effects of benzo(a)pyrene on embryonic kidney development. 相似文献
57.
58.
Tao Ding Liyuan Zhu Yuxin Fang Yangluorong Liu Wei Tang Prof. Dr. Peng Zou 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(51):23133-23137
The spatial arrangement of chromosome within the nucleus is linked to genome function and gene expression regulation. Existing genome-wide mapping methods often rely on chemically crosslinking DNA with protein baits, which raises concerns of artifacts being introduced during cell fixation. By genetically targeting a photosensitizer protein to specific subnuclear locations, we achieved blue-light-activated labeling of local DNA with a bioorthogonal functional handle for affinity purification and sequence identification through next-generation sequencing. When applied to the nuclear lamina in human embryonic kidney 293T cells, it revealed lamina-associated domains (LADs) that cover 37.6 % of the genome. These LADs overlap with heterochromatin hallmarks and are depleted with CpG islands. This simple labeling method avoids the harsh treatment of chemical crosslinking and is generally applicable to the genome-wide high-resolution mapping of the spatial chromosome organization in living cells. 相似文献
59.
Weidong Nie Guanghao Wu Jinfeng Zhang Li‐Li Huang Jingjing Ding Anqi Jiang Yahui Zhang Yanhong Liu Jingchao Li Kanyi Pu Hai‐Yan Xie 《Angewandte Chemie (International ed. in English)》2020,59(5):2018-2022
Exosomes hold great potential in therapeutic development. However, native exosomes usually induce insufficient effects in vivo and simply act as drug delivery vehicles. Herein, we synthesize responsive exosome nano‐bioconjugates for cancer therapy. Azide‐modified exosomes derived from M1 macrophages are conjugated with dibenzocyclooctyne‐modified antibodies of CD47 and SIRPα (aCD47 and aSIRPα) through pH‐sensitive linkers. After systemic administration, the nano‐bioconjugates can actively target tumors through the specific recognition between aCD47 and CD47 on the tumor cell surface. In the acidic tumor microenvironment, the benzoic‐imine bonds of the nano‐bioconjugates are cleaved to release aSIRPα and aCD47 that can, respectively, block SIRPα on macrophages and CD47, leading to abolished “don't eat me” signaling and improved phagocytosis of macrophages. Meanwhile, the native M1 exosomes effectively reprogram the macrophages from pro‐tumoral M2 to anti‐tumoral M1. 相似文献
60.
Fluid Dynamics - Both numerical methods and wind tunnel tests were used to reduce skin friction for a hypersonic body. A hypersonic cone was tested under three different free-stream flow... 相似文献