The density functional calculations of clusters ()

Ding, Jianning; Li, Changlin; Yuan, Ningyi; Ding, Guqiao; Chen, Xiaoshuang; Lü, Wei; Chen, Guanggui; Chen, Cheng-Lung

doi:10.1016/j.physleta.2009.11.083

Cited by 9 publications

(14 citation statements)

References 45 publications

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“…Two Sb–Sb and one Ga–Ga bonds were noted. The present structure differed from that of the ground state of (GaAs) 6 , ,,,, (AlP) 6 , (InP) 6 , (CdS) 6 , and (InSb) 6 . A basket-like structure [Figure S3(b)] with one Sb–Sb and one Ga–Ga bond was only 0.07 eV higher than the global minimum.…”

Section: Results and Discussioncontrasting

confidence: 59%

“…The present structure differed from that of the ground state of (GaAs) 6 , 14,17,19,25,26 (AlP) 6 , 13 (InP) 6 , 15 (CdS) 6 , 28 and (InSb) 6 . 27 A basket-like structure [ Figure S3 Figure S3(h)] was the lowest energy structure found for (AlP) 6 13 and (CdS) 6 28 but possessed a higher energy than that in our ground state by 0.38 eV. Different from the configuration of neutral (GaSb) 6 , (GaSb) 6 + , and (GaSb) 6 − have three and four pentagonal rings, respectively.…”

Section: Resultsmentioning

confidence: 70%

“…The obtained low-energy isomers were used as candidate structures and further optimized with all-electron density functional theory (DFT). We also consulted the structures of (GaAs) n , ,,,− (InSb) n , (InP) n , (AlP) n , (CdS) n , and their every possible combination. Tubelike, bulklike, plane, and ringlike isomers were also considered.…”

Section: Methodsmentioning

confidence: 99%

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Analysis of the Structures and Properties of (GaSb)_n (n = 4–9) Clusters through Density Functional Theory

et al. 2016

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An optimization strategy combining global semiempirical quantum mechanical search with all-electron density functional theory was adopted to determine the lowest energy structure of (GaSb)n clusters up to n = 9. The growth pattern of the clusters differed from those of previously reported group III-V binary clusters. A cagelike configuration was found for cluster sizes n ≤ 7. The structure of (GaSb)6 deviated from that of other III-V clusters. Competition existed between core-shell and hollow cage structures of (GaSb)7. Novel noncagelike structures were energetically preferred over the cages for the (GaSb)8 and (GaSb)9 clusters. Electronic properties, such as vertical ionization potential, adiabatic electron affinities, HOMO-LUMO gaps, and average on-site charges on Ga or Sb atoms, as well as binding energies, were computed.

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Section: Results and Discussioncontrasting

confidence: 59%

Section: Resultsmentioning

confidence: 70%

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Analysis of the Structures and Properties of (GaSb)_n (n = 4–9) Clusters through Density Functional Theory

et al. 2016

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“…Compared with tPA, tissue kallikrein has superior advantage with a wide time window of several days after stroke. Importantly, in a multicenter and double-blind clinical trial, human tissue (urinary) kallikrein was shown to be effective in the treatment of patients with acute brain infarction when infused within 48 h after stroke onset (Ding et al, 2007). However, co-treatment of tissue kallikrein with ACE inhibitor caused sudden drop of blood pressure in some of the stroke patients.…”

Section: A Wide Time Window For Tissue Kallikrein Treatment In Ischemmentioning

confidence: 99%

“…Also taking into account that kinins have a short half-life of approximately 30 s, it is unlikely that tissue kallikrein administration can cause excessive kinin production and, thus, any significant injurious inflammatory responses. In addition to potential inflammation and vascular permeability mediated by kinins, another side effect of tissue kallikrein treatment in humans is sudden reduction of blood pressure (Ding et al, 2007). Therefore, it is important to avoid co-treatment of tissue kallikrein with ACE inhibitors.…”

Section: Potential Therapeutic Limitations Of Tissue Kallikreinmentioning

confidence: 99%

Tissue kallikrein in cardiovascular, cerebrovascular and renal diseases and skin wound healing

Chao

Shen

Gao

et al. 2010

Biological Chemistry

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Tissue kallikrein (KLK1) processes low-molecular weight kininogen to produce vasoactive kinins, which exert biological functions via kinin receptor signaling. Using various delivery approaches, we have demonstrated that tissue kallikrein through kinin B2 receptor signaling exhibits a wide spectrum of beneficial effects by reducing cardiac and renal injuries, restenosis and ischemic stroke, and by promoting angiogenesis and skin wound healing, independent of blood pressure reduction. Protection by tissue kallikrein in oxidative organ damage is attributed to the inhibition of apoptosis, inflammation, hypertrophy and fibrosis. Tissue kallikrein also enhances neovascularization in ischemic heart and limb. Moreover, tissue kallikrein/kinin infusion not only prevents but also reverses kidney injury, inflammation and fibrosis in salt-induced hypertensive rats. Furthermore, there is a wide time window for kallikrein administration in protection against ischemic brain infarction, as delayed kallikrein infusion for 24 h after cerebral ischemia in rats is effective in reducing neurological deficits, infarct size, apoptosis and inflammation. Importantly, in the clinical setting, human tissue kallikrein has been proven to be effective in the treatment of patients with acute brain infarction when injected within 48 h after stroke onset. Finally, kallikrein promotes skin wound healing and keratinocyte migration by direct activation of protease-activated receptor 1.

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Structural transition of (InSb) n clusters at n = 6–10

Lü

Luo

Huang

et al. 2016

Chemical Physics Letters

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The density functional calculations of clusters ()

Cited by 9 publications

References 45 publications

Analysis of the Structures and Properties of (GaSb)_n (n = 4–9) Clusters through Density Functional Theory

Analysis of the Structures and Properties of (GaSb)_n (n = 4–9) Clusters through Density Functional Theory

Tissue kallikrein in cardiovascular, cerebrovascular and renal diseases and skin wound healing

Structural transition of (InSb) n clusters at n = 6–10

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The density functional calculations of clusters ()

Cited by 9 publications

References 45 publications

Analysis of the Structures and Properties of (GaSb)n (n = 4–9) Clusters through Density Functional Theory

Analysis of the Structures and Properties of (GaSb)n (n = 4–9) Clusters through Density Functional Theory

Tissue kallikrein in cardiovascular, cerebrovascular and renal diseases and skin wound healing

Structural transition of (InSb) n clusters at n = 6–10

Contact Info

Product

Resources

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Analysis of the Structures and Properties of (GaSb)_n (n = 4–9) Clusters through Density Functional Theory

Analysis of the Structures and Properties of (GaSb)_n (n = 4–9) Clusters through Density Functional Theory