Search Results - "Yuan, Nini"
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Density functional theory study on the reaction mechanism of Ni+-catalysed cyclohexane dehydrogenation
Published in Structural chemistry (01-06-2022)“…A detailed theoretical analysis of the mechanism of chemical bond activation in cyclohexane catalysed by the atomic transition-metal cation Ni + was performed…”
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Insights into the intrinsic interaction between series of C1 molecules and surface of NiO oxygen carriers involved in chemical looping processes
Published in Chinese journal of chemical engineering (01-11-2020)“…Understanding and modulating the interaction between various reactive molecules and oxygen carriers are the key issue to achieve process intensification of…”
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3
First‐principle simulations on silicon-doped armchair single‐walled carbon nanotubes of various diameters
Published in Physica. E, Low-dimensional systems & nanostructures (01-11-2014)“…This work presented theoretical studies of structures, energies and properties of armchair carbon nanotubes (CNTs) upon the silicon substitutional doping by…”
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Journal Article -
4
Investigation of Chemical-looping Gasification Characteristics of Chinese Western Coals with Hematite-CuO Oxygen Carrier
Published in E3S web of conferences (01-01-2020)“…In order to realize highly efficient conversion of Chinese western bituminous coals into syngas, a series of chemical-looping gasification experiments was…”
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Journal Article Conference Proceeding -
5
Changes of spatial and temporal frequency tuning properties of neurons in the middle temporal area of aged rhesus monkeys
Published in The European journal of neuroscience (01-08-2014)“…Aged humans exhibit severe deficits in visual motion perception and contrast sensitivity under various levels of spatial and temporal modulation. Previous…”
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Effects of acute high intraocular pressure on red-green and blue-yellow cortical color responses in non-human primates
Published in NeuroImage clinical (01-01-2022)“…•Red-green and blue-yellow responses in V1, V2, and V4 of seven rhesus macaques were compared during acute intraocular elevation.•Acute IOP elevations…”
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Transduction catalysis: Doxorubicin amplifies rAAV-mediated gene expression in the cortex of higher-order vertebrates
Published in iScience (25-06-2021)“…Rapid and efficient gene transduction via recombinant adeno-associated viruses (rAAVs) is highly desirable across many basic and clinical research domains…”
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Doping the Buckminsterfullerene by Substitution : Density Functional Theory Studies of C59X (X = B, N, Al, Si, P, Ga, Ge, and As)
Published in Journal of chemistry (01-01-2013)“…The heterofullerenes C59X (X = B, N, Al, Si, P, Ga, Ge, and As) were investigated by quantum chemistry calculations based on density functional theory. These…”
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Analysis of the role of Cu for improving the reactivity of Cu-modified Fe2O3 oxygen carriers in the chemical looping gasification process with coal
Published in Fuel (Guildford) (01-12-2021)“…[Display omitted] •Mechanisms of the addition of CuO enhanced activity with H2 were studied using DFT.•The roles of synergy in CLG were analyzed by theory and…”
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Role of CuFe2O4 in elemental mercury adsorption and oxidation on modified bentonite for coal gasification
Published in Fuel (Guildford) (15-11-2022)“…[Display omitted] •Roles of CuFe2O4 in Hg0 adsorption and oxidation on CuFe2O4-modified bentonite.•Hg0 adsorption and oxidation mechanism of CuFe2O4…”
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Insights into reactive behaviors and mechanisms of nickel-based oxygen carriers doped by Fe/Co during chemical looping combustion from multiple-scale molecular modeling combined with experiments
Published in Fuel processing technology (01-05-2022)“…Understanding reactive behaviors and mechanisms of oxygen carriers (OCs) is a key issue in chemical looping combustion (CLC), which can provide ideas and…”
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Modulation of Fe-based oxygen carriers by low concentration doping of Cu in chemical looping process: Reactivity and mechanism based on experiments combined with DFT calculations
Published in Powder technology (01-08-2021)“…Fe-based oxygen carriers (OCs) are currently the crucial material basis for chemical looping technology to realize industrial applications. However, the…”
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Chemical looping combustion characteristics and kinetic behaviour of Sr‐doped perovskite‐type CaFeO3 oxygen carriers: Theoretical and experimental investigations
Published in Canadian journal of chemical engineering (01-03-2023)“…Oxygen carriers (OCs) with typical perovskite structures have attracted attention for use in chemical looping combustion (CLC) owing to their unique tunable…”
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Retention mechanism of calcium ferrite and compositions of ash on selenium during chemical looping gasification
Published in Particuology (01-08-2023)“…Selenium pollution by coal utilization is of increasing concern. Calcium-iron (Ca–Fe) oxygen carriers (OCs) and alkali metal ions have strong inhibitory…”
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Journal Article -
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Chemical looping combustion characteristics and kinetic behaviour of Sr‐doped perovskite‐type CaFeO 3 oxygen carriers: Theoretical and experimental investigations
Published in Canadian journal of chemical engineering (01-03-2023)“…Abstract Oxygen carriers (OCs) with typical perovskite structures have attracted attention for use in chemical looping combustion (CLC) owing to their unique…”
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Journal Article -
16
Density functional theory study on the reaction mechanism of Ni.sup.+-catalysed cyclohexane dehydrogenation
Published in Structural chemistry (01-06-2022)“…A detailed theoretical analysis of the mechanism of chemical bond activation in cyclohexane catalysed by the atomic transition-metal cation Ni.sup.+ was…”
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Journal Article -
17
Immediate Impact of Acute Elevation of Intraocular Pressure on Cortical Visual Motion Processing
Published in Investigative ophthalmology & visual science (11-05-2020)“…To physiologically examine the impairment of cortical sensitivity to visual motion during acute elevation of intraocular pressure (IOP). Motion processing in…”
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Journal Article -
18
Form-cue invariant second-order neuronal responses to contrast modulation in primate area V2
Published in The Journal of neuroscience (03-09-2014)“…A fundamental task of the visual system is to extract figure-ground boundaries between images of objects, which in natural scenes are often defined not only by…”
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Journal Article -
19
Cross-species single-cell spatial transcriptomic atlases of the cerebellar cortex
Published in Science (American Association for the Advancement of Science) (27-09-2024)“…The molecular and cellular organization of the primate cerebellum remains poorly characterized. We obtained single-cell spatial transcriptomic atlases of…”
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Journal Article -
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Density functional theory studies of Si36H36 and C36H36 nanocages
Published in International journal of quantum chemistry (05-06-2014)“…This work presents systematic studies of the possible classical structures of Si36H36 and C36H36 nanocages using density functional theory calculations. The…”
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