Publications by authors named "Youhua Luo"

12 Publications

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Berberine administrated with different routes attenuates inhaled LPS-induced acute respiratory distress syndrome through TLR4/NF-κB and JAK2/STAT3 inhibition.

Eur J Pharmacol 2021 Oct 17;908:174349. Epub 2021 Jul 17.

Pharmaceutical Research Center, Xiamen Medicine Research Institute, Xiamen, 361008, Fujian province, PR China.

Accumulating evidence showed that berberine possessed the anti-inflammatory action in various diseases caused by inflammation. However, it was still unclear whether both inhalation and injection with berberine produced pulmonary protective role in acute respiratory distress syndrome (ARDS). This study was aimed to evaluate the effects of both administration routes including inhalation and injection with berberine in ARDS induced by lipopolysaccharide (LPS) inhalation. Histopathological examination and weight of lung were evaluated. Phosphorylation of NF-κB, JAK2 and STAT3 were measured to assess the activity of inflammation related signaling pathways. Proinflammatory cytokines including interleukin (IL)-1β and tumor necrosis factor (TNF)-α in the bronchoalveolar lavage fluid (BALF) and serum were also detected. The results showed that LPS caused the lung injury, while both administration routes with berberine attenuated the injury and improved the pulmonary morphology. In addition, the primary TLR4/NF-κB and secondary JAK2/STAT3 signaling pathways which were activated by LPS in lung were totally inhibited by berberine administration. Moreover, proinflammatory cytokines in both BALF and serum were decreased by berberine. Considering that molecular docking simulation indicated that berberine could bind with TLR4, the present suggested that the inhibition of the inflammation related TLR4/NF-κB and JAK2/STAT3 signaling pathways might be involved in the pulmonary protective effect of berberine in LPS-induced ARDS.
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http://dx.doi.org/10.1016/j.ejphar.2021.174349DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8285933PMC
October 2021

Transition Metal Adsorbed-Doped ZnO Monolayer: 2D Dilute Magnetic Semiconductor, Magnetic Mechanism, and Beyond 2D.

ACS Omega 2017 Mar 29;2(3):1192-1197. Epub 2017 Mar 29.

Nano and Molecular Systems Research Unit, University of Oulu, P.O. Box 3000, FIN-90014 Oulu, Finland.

As an improvement over organic or inorganic layered crystals, the synthetic monolayer ZnO(M) inherits semiconductivity and hostability from its bulk, yet it acts as a promising host for dilute magnetic semiconductors. Here, we report the electronic and magnetic properties of ZnO(M) doped with one 3d transition metal ion and simultaneously adsorbed with another 3d transition metal ion. Two sequences are studied, one where the dopant is fixed to Mn and the adsorbate is varied from Sc to Zn and another where the dopant and adsorbate are reversed. First-principles results show that the stable adsorbed-doped systems possess a lower bandgap energy than that of the host. System magnetic moments can be tuned to |5 - |μ, where refers to the magnetic moment of the individual 3d atom. An interplay between superexchange and direct exchange yields a ferromagnetic system dually adsorbed-doped with Mn. In addition to a novel material design route, the magnetic interaction mechanism is found beyond two dimensions, having been identified for its three-dimensional bulk and zero-dimensional cluster counterparts.
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http://dx.doi.org/10.1021/acsomega.7b00093DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6641190PMC
March 2017

Strain enhanced lithium adsorption and diffusion on silicene.

Phys Chem Chem Phys 2017 Mar;19(9):6563-6568

School of Science, East China University of Science and Technology, Shanghai 200237, China.

The performance of Li-ion batteries relies heavily on the capacity and stability of constituent electrodes. Recently synthesized 2D silicene has demonstrated excellent Li-ion capacity with high charging rates. To explore the external influences for battery performance, in this work, first-principles calculations are employed to investigate the effect of external strain on the adsorption and diffusion of Li on silicene monolayers. It was found that tensile strain could enhance Li binding on silicene. The diffusion barrier is also calculated and the results show that Li diffusion through silicene is facilitated by tensile strain, whereas the strain has a limited effect on the energy barrier of diffusion parallel to the plane of pristine silicene. Our results suggest that silicene could be a promising electrode material for lithium ion batteries.
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http://dx.doi.org/10.1039/c6cp07702aDOI Listing
March 2017

First-principles prediction of a new planar hydrocarbon material: half-hydrogenated 14,14,14-graphyne.

Phys Chem Chem Phys 2016 Sep 15;18(34):23954-60. Epub 2016 Aug 15.

Department of Physics, East China University of Science and Technology, Shanghai 200237, China.

Graphynes, novel allotropic forms of carbon, have become a rising star in two-dimensional materials science due to the diverse geometric structures and excellent electronic properties. In this paper, first-principles calculations were performed to investigate a favorable path for successive hydrogenation of 14,14,14-graphyne and electronic properties of the resulting novel planar structure. Pairs of hydrogen atoms prefer to arrange themselves on opposite sides of acetylenic bonds within the basal plane due to the collective stabilization mediated by cooperative buckling of the original linear acetylenic chains. Progressive hydrogenation favors proceeding along linear directions in a row-by-row manner. A new strictly planar sp-sp(2)-bonded hydrocarbon is formed when half of the sp-hybridized carbon atoms in the chains are hydrogenated. In contrast to the zero-band-gap feature of pristine 14,14,14-graphyne, this hydrocarbon possesses a moderate direct band gap. A possible experimental realization of the proposed two-dimensional hydrocarbon was also discussed. This novel planar hydrocarbon material can not only broaden the application field of graphyne family in electronic and optoelectronic devices but also enrich the databases of carbon-based two-dimensional materials.
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http://dx.doi.org/10.1039/c6cp03955cDOI Listing
September 2016

Magnetic MoS2 pizzas and sandwiches with Mnn (n = 1-4) cluster toppings and fillings: A first-principles investigation.

Sci Rep 2016 Jan 18;6:19504. Epub 2016 Jan 18.

Research Centre for Molecular Materials, University of Oulu, P.O. Box 3000, FIN-90014, Finland.

The inorganic layered crystal (ILC) MoS2 in low dimensions is considered as one of the most promising and efficient semiconductors. To enable the magnetism and keep intrinsic crystal structures, we carried out a first-principles study of the magnetic and semiconductive monolayer MoS2 adsorbed with the Mnn (n = 1-4) clusters, and bilayer MoS2 intercalated with the same clusters. Geometric optimizations of the [email protected] systems show the complexes prefer to have [email protected](M) pizza and [email protected](B) sandwich forms in the mono- and bi-layered cases, respectively. Introductions of the clusters will enhance complex stabilities, while bonds and charge transfers are found between external Mn clusters and the S atoms in the hosts. The pizzas have medium magnetic moments of 3, 6, 9, 4 μB and sandwiches of 3, 2, 3, 2 μB following the manganese numbers. The pizzas and sandwiches are semiconductors, but with narrower bandgaps compared to their corresponding pristine hosts. Direct bandgaps were found in the [email protected](M) (n = 1,4) pizzas, and excitingly in the [email protected](B) sandwich. Combining functional clusters to the layered hosts, the present work shows a novel material manipulation strategy to boost semiconductive ILCs applications in magnetics.
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http://dx.doi.org/10.1038/srep19504DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4725988PMC
January 2016

Expression of tumor necrosis factor receptor-associated protein 1 and its clinical significance in kidney cancer.

Int J Clin Exp Pathol 2015 1;8(10):13090-5. Epub 2015 Oct 1.

Department of Urology, Guangdong No. 2 Provincial People's Hospital Guangzhou, China.

Objective: To investigate the expression and clinical significance of TRAP1 (tumor necrosis factor receptor-associated protein 1) in kidney cancer.

Methods: TRAP1 expression was detected in kidney cancer and normal kidney tissues by qRT-PCR and immunohistochemistry (IHC), respectively. Then, the correlation of TRAP1 expression with clinicopathological characters and patients' prognosis was evaluated in kidney cancer.

Results: IHC results revealed that the high-expression rates of TRAP1 in kidney cancer tissues and normal kidney tissues were 51.3% (41/80), 23.3% (7/30), and the difference was statistically significant (P=0.01). Also, TRAP1 mRNA level in kidney cancer was found to be significantly greater compared with those in normal kidney by qRT-PCR. In addition, TRAP1 expression in kidney cancer significantly correlated with lymph node metastasis and clinical stage (P<0.05). Kaplan-Meier survival analysis indicated that the mean survival time of patients with TRAP1 low-expression was significantly higher (56 months) than those patients with TRAP1 high-expression (47 months). Meanwhile, Kaplan-Meier and Cox survival analysis indicated that TRAP1, lymph node metastasis and clinical stage were correlated with patients' prognosis.

Conclusion: TRAP1 is highly expressed in kidney cancer and correlates with patients prognosis, which may be served as a potential marker for the diagnosis and treatment of kidney cancer.
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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4680450PMC
October 2016

Flexible band gap tuning of hexagonal boron nitride sheets interconnected by acetylenic bonds.

Phys Chem Chem Phys 2015 Aug;17(31):20376-81

Department of Physics, East China University of Science and Technology, Shanghai 200237, China.

The energetic and electronic properties of acetylenic-bond-interconnected hexagonal boron nitride sheets (BNyne), in which the number of rows of BN hexagonal rings (denoted as BN width) between neighboring arrays of acetylenic linkages increases consecutively, have been explored using first-principles calculations. Depending on the spatial position of B/N atoms with respect to the acetylenic linkages, there are two different types of configurations. The band structure features and band gap evolutions of BNyne structures as a function of the BN width can be categorized into two families, corresponding to two distinct types of configurations. In particular, for both types of BNyne structures, the band gap variations exhibit odd-even oscillating behavior depending on the BN width, which is related to the different symmetries of acetylenic chains in the unit cell. These results suggest that the embedded linear acetylenic chains can provide more flexibility for manipulation of the atomic and electronic properties of hexagonal boron nitride. These sp-sp(2) hybrid structures might promise importantly potential applications for developing nanoscale electronic and optoelectronic devices.
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http://dx.doi.org/10.1039/c5cp02346gDOI Listing
August 2015

First-principles investigations of chirality in trimetallic alloy clusters: AlMnAun (n = 1-7).

J Phys Chem A 2015 Apr 26;119(14):3458-70. Epub 2015 Mar 26.

§Department of Physics, University of Oulu, P.O. Box 3000, Oulu FIN-90014, Finland.

Chirality, also called handedness, plays a crucial role in function ranging from biological self-assembly schemes, organic polymer functionalities, to optical material designs. In this Article, we demonstrated a first-principles investigation of chirality in magnetic AlMnAun(0/+1/-1) (n = 1-7) clusters. Optimized structures of the AlMnAun clusters exhibit configurational combinations between AlAun+1 and MnAun+1 clusters, indicating a subtle but equal competition between Au-Al and Au-Mn interactions in the alloy clusters. High magnetic moments are equal to or greater than 4μB in AlMnAun clusters due to the presence of the Mn dopant. Chirality turns up with the forms of right-handed and left-handed in stable AlMnAu5, AlMnAu6, and AlMnAu7 clusters. As a result, reflection symmetries are found in vibrational Raman and circular dichroism spectra of these chiral pairs. The present study shows that chiral magnetic clusters can be composed by doping two heteroatoms with one intrinsic magnetic dopant into small gold clusters.
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http://dx.doi.org/10.1021/jp511575yDOI Listing
April 2015

Magnetic superatoms in VLi(n) (n = 1-13) clusters: a first-principles prediction.

J Phys Chem A 2013 Dec 21;117(48):13025-36. Epub 2013 Nov 21.

Department of Physics, East China University of Science and Technology , Shanghai 200237, China.

We demonstrated a first-principles investigation to search for magnetic superatoms in the vanadium-doped lithium clusters VLi(n) (n = 1-13). The stabilities of VLi(n) clusters were determined through geometrical and electronic optimizations. It is found that the growth pattern of VLi(n) in 3-space follows adding a Li atom capped on VLi(n-1) clusters. All doped clusters show larger relative binding energies compared with pure Li(n+1) partners and display tunable magnetic properties. When n = 8-13, the VLi(n) clusters adopt a cage-like structure with an endohedral V atom and are identified as superatoms with their magnetic moments successively decreasing from 5 to 0 μB. The isolated VLi8 superatom is emphasized due to its robust magnetic moment as well as high structural and chemical stability analogue of a single Mn(2+) ion. Molecular orbitals analysis shows that VLi8 has an electronic configuration of 1S(2)1P(6)1D(5), exhibiting Hund's filling rule of maximizing the spin-like atoms. Electronic shell structures of 1S(2) and 1P(6) are virtually unchanged in Li9 cluster as the V atom substitutes for the embedded Li atom, indicating that the electron-shell-closing model is valid for explaining its structures and stabilities. The results show that the tailored magnetic building blocks for nanomaterials can be formed by seeding magnetic dopants into alkali metal cluster cages.
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http://dx.doi.org/10.1021/jp410489gDOI Listing
December 2013

Single layer of polymeric cobalt phthalocyanine: promising low-cost and high-activity nanocatalysts for CO oxidation.

Small 2013 Oct 15;9(20):3506-13. Epub 2013 Apr 15.

Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, P. R. China.

The catalytic behavior of transition metals (Sc to Zn) combined in polymeric phthalocyanine (Pc) is investigated systematically by using first-principles calculations. The results indicate that CoPc exhibits the highest catalytic activity for CO oxidation at room temperature with low energy barriers. By exploring the two well-established mechanisms for CO oxidation with O2 , namely, the Langmuir-Hinshelwood (LH) and the Eley-Rideal (ER) mechanisms, it is found that the first step of CO oxidation catalyzed by CoPc is the LH mechanism (CO + O2 → CO2 + O) with energy barrier as low as 0.65 eV. The second step proceeds via both ER and LH mechanisms (CO + O → CO2 ) with small energy barriers of 0.10 and 0.12 eV, respectively. The electronic resonance among Co-3d, CO-2π*, and O2 -2π* orbitals is responsible for the high activity of CoPc. These results have significant implications for a novel avenue to fabricate organometallic sheet nanocatalysts for CO oxidation with low cost and high activity.
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http://dx.doi.org/10.1002/smll.201300652DOI Listing
October 2013

Low-energy isomer identification, structural evolution, and magnetic properties in manganese-doped gold clusters MnAu(n) (n = 1-16).

J Phys Chem A 2012 Feb 2;116(6):1493-502. Epub 2012 Feb 2.

Department of Physics, East China University of Science and Technology, Shanghai 200237, China.

The size-dependent electronic, structural, and magnetic properties of Mn-doped gold clusters have been systematically investigated by using relativistic all-electron density functional theory with generalized gradient approximation. A number of new isomers are obtained for neutral MnAu(n) (n = 1-16) clusters to probe the structural evolution. The two-dimensional (2D) to three-dimensional (3D) transition occurs in the size range n = 7-10 with manifest structure competitions. From size n = 13 to n = 16, the MnAu(n) prefers a gold cage structure with Mn atom locating at the center. The relative stabilities of the ground-state MnAu(n) clusters show a pronounced odd-even oscillation with the number of Au atoms. The magnetic moments of MnAu(n) clusters vary from 3 μ(B) to 6 μ(B) with the different cluster size, suggesting that nonmagnetic Au(n) clusters can serve as a flexible host to tailor the dopant's magnetism, which has potential applications in new nanomaterials with tunable magnetic properties.
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http://dx.doi.org/10.1021/jp2094406DOI Listing
February 2012

Ferromagnetism/antiferromagnetism transition between semihydrogenated and fully-aminated single-wall carbon nanotubes.

Nanoscale 2011 Sep 1;3(9):3743-6. Epub 2011 Aug 1.

Department of Physics, East China University of Science and Technology, Shanghai 200237, China.

We theoretically studied the ferromagnetism/antiferromagnetism (FM/AFM) transition between single-wall carbon nanotubes (SWCNTs) induced by chemical modifications of semihydrogenation (SH-) and full-amination (NH(2)-). We found that armchairs with large diameters of SH-CNTs (n > 3) possess FM functions with intense magnetic moments, while armchair NH(2)-CNTs (n = 4, 6, 8) are antiferromagnetic semiconductors. The FM/AFM transition is mainly dominated by different chemical modifications and sizes of SWCNTs whose distance between carbon atoms of unpaired electrons can regulate the intensity of p-p spin interactions. Moreover, the zigzag SH-CNTs and NH(2)-CNTs are NM semiconductors. Thus, the electronic and magnetic properties of the SH- or NH(2)-CNTs can be precisely modulated by controlling the hydrogenation or amination on the different types and diameters of CNTs, which provides a new and also simple process for magnetism optimization design in SWCNTs.
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http://dx.doi.org/10.1039/c1nr10445dDOI Listing
September 2011
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