期刊：
Results in Physics,2023年54:107047 ISSN：2211-3797
通讯作者：
Lan, Y;Huang, WQ
作者机构：
[Zhang, Jing; Luo, Jia-Cheng; He, Zi-Cheng] Hengyang Normal Univ, Nanyue Coll, Dept Phys & Elect Informat Sci, Hengyang 421008, Peoples R China.;[Lan, Yu] Hengyang Normal Univ, Coll Phys & Elect Engn, Hengyang 421002, Peoples R China.;[Huang, Wei-Qing; Huang, Gui-Fang] Hunan Univ, Sch Phys & Elect, Dept Appl Phys, Changsha 410082, Peoples R China.;[Hu, Wangyu] Hunan Univ, Sch Mat Sci & Engn, Changsha 410082, Peoples R China.
通讯机构：
[Lan, Y ; Huang, WQ ] H;Hengyang Normal Univ, Coll Phys & Elect Engn, Hengyang 421002, Peoples R China.;Hunan Univ, Sch Phys & Elect, Dept Appl Phys, Changsha 410082, Peoples R China.
关键词：
Schottky barrier;Metal-semiconductor contact;van der Waals heterostructure;Electric field;First -principles calculations
摘要：
Two-dimensional (2D) transition metal carbides, nitrides, or carbonitrides (MXenes) have emerged as promising ultrathin materials for nanoelectronics and optoelectronics. However, the contact barrier at metal --semiconductor (MS) junctions still significantly limits the device's performance. Here, we propose a novel strategy-functionalizing accompanied with external electric fields-to tune the MS contact nature in MXene-based van der Waals (vdW) heterostructures, taking 2D Ti2C as an example, by means of first-principles calcu-lations. Different Ti2CO2/Ti2CX2 (X = OH or S) vdW heterostructures are designed via functionalizing Ti2C metals to contact with 2D Ti2CO2. We reveal that OH functionalized vdW MS heterostructure (Ti2CO2/Ti2C (OH)2) can be tuned to the Ohmic contact owing to the strong interlayer interaction inducing a large number of interlayer transferred electrons; while for the sulfurized vdW MS heterostructure (Ti2CO2/Ti2CS2), its Schottky barrier height and contact type can be effectively tuned by external electric field due to the rather weak inter -layer interaction. Our work paves a new way for the construction of 2D MXene-based vdW MS heterostructures and demonstrates the great potential of 2D MXenes in future nanoelectronics and optoelectronics.
摘要：
Estimation of crop lodging has been extensively investigated. However, mechanisms concerning the variation of crop lodging resistance at different stages of lifecycle during maturation are still unclear. Here, we develop a simplified Euler buckling model to estimate the effect of gradient structural parameters on the lodging resistance and material utilization of rice stem. Three-point bending test was carried out to obtain the stiffness gradient of rice stem. Experimental results show that green rice stem has relatively high material utilization and lodging resistance. When rice stem becomes dry during maturation, the bending rigidity and material utilization of rice stem dramatically decrease, and the weight of panicle increases due to the redistributions of moisture and nutrient substance, which simultaneously increases the lodging risk of rice. The bending rigidity decreases by 71.9%; meanwhile, the material utilization of rice stem decreases around 8.7% when rice stem changes from green to dry. Although the stiffness distribution is not the main factor influencing rice lodging, the effect of stiffness distribution of rice stem on its lodging resistance still cannot be neglected during rice maturation.
作者机构：
[Xiao, Zhenxiu] Hengyang Normal Univ, Nanyue Coll, Hengyang 421008, Hunan, Peoples R China.;[Jiang, Wujiu; Fu, Weiwei] Hengyang Normal Univ, Key Lab Met Organ New Mat, Sch Chem & Mat Sci, Key Lab Funct Met Organ Cpds Hunan Prov,Coll Hunan, Hengyang 421008, Hunan, Peoples R China.;[Deng, Xin] Hengyang Normal Univ, Sch Chem & Mat Sci, Hengyang 421008, Peoples R China.
摘要：
C22H28N2O2, monoclinic, P2(1)/n (no. 14), a = 6.463(3) angstrom, b = 14.889(6) angstrom, c = 10.282(4) angstrom, beta = 95.105(5)degrees , V = 985.5(7) angstrom(3), Z = 2, R-gt(F) = 0.0425, wR(ref)(F-2) = 0.1206, T = 296 (2) K. CCDC no.: 2234957 Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters.
摘要：
Adsorption of atoms on the surface of two-dimensional (2D) materials is one of the most effective ways to induce magnetic properties. In this study, the atomic structure, electronic structure, magnetic properties, and strain effects of VA group atoms (N, P, As, Sb and Bi) adsorbed on a WS2 monolayer are systematically studied using a first-principles method. After calculating the adsorption energy, it was determined that all of the VA group atoms showed a preference for being directly adsorbed above the S atoms. Based on the analysis of the orbital projection density of states and charge transfer, it appears that the group VA atoms chemisorb onto the WS2 layer. The adsorption of the VA group atoms on a WS2 monolayer will introduce 1 & mu;(B) magnetic moment into the system. It is exciting that WS2 monolayer adsorbed with P, As, Sb or Bi is half-metallic with 100% spin polarization at the Fermi level. Furthermore, the magnetic properties are robust in the range of 10% strain and the magnetic moment of the system can be effectively controlled by tensile strain. In addition, when two or four atoms are adsorbed on a monolayer WS2 supercell, the adatoms show a tendency towards alignment in terms of their local magnetic moments, which may indicate a potential for ferromagnetic ordering in the system. After the adsorption of VA group atoms, monolayer WS2 exhibits structural stability, tunable magnetism under strain, 100% spin polarizability, and potential for ferromagnetism, making it a promising material for spintronic device applications.
摘要：
Pseudomonas aeruginosa is a conditional Gram-negative pathogen that produces extracellular virulence factors that can lead to bloodstream invasion, severely harm tissues, and disseminate bacteria, ultimately leading to various diseases. In this study, lactic acid bacteria (LAB) with strong antagonistic ability against P. aeruginosa were screened, and the regulatory mechanism of LAB against P. aeruginosa was evaluated. The results showed that the three selected LAB strains had strong inhibition ability on the growth, biofilm formation, and pyocyanin expression of P. aeruginosa and a promoting effect on the expression of autoinducer-2. Among them, Lactipantibacillus plantarum (Lp. plantarum) LPyang is capable of affecting the metabolic processes of P. aeruginosa by influencing metabolic substances, such as LysoPC, oxidized glutathione, betaine, etc. These results indicate that LPyang reduces the infectivity of P. aeruginosa through inhibition of its growth, biofilm formation, pyocyanin expression, and regulation of its metabolome. This study provides new insights into the antagonistic activity of Lp. plantarum LPyang against P. aeruginosa.
作者机构：
[Xiao, Zhenxiu] Hengyang Normal Univ, Nanyue Coll, Hengyang 421008, Hunan, Peoples R China.;[Wang, Tiantian; Deng, Xin] Hengyang Normal Univ, Sch Chem & Mat Sci, Hengyang 421008, Hunan, Peoples R China.;[Jiang, Wujiu; Tan, Yuxing] Normal Univ, Key Lab Met Organ New Mat Coll Hunan Prov Hengyang, Sch Chem & Mat Sci, Key Lab Funct Met Organ Cpds Hunan Prov, Hengyang 421008, Hunan, Peoples R China.
摘要：
C24H30N4O4, monoclinic, C2/c (no. 15), a = 21.170(3) angstrom, b = 13.2938(17) angstrom, c = 9.7133(12) angstrom, beta = 114.423(2)degrees, V = 2489.0(5) angstrom(3), Z = 4, R-gt(F) = 0.0473, wR(ref)(F-2) = 0.1424, T = 296(2) K.
期刊：
Journal of Inorganic Biochemistry,2022年232:111808 ISSN：0162-0134
通讯作者：
Wujiu Jiang<&wdkj&>Yuxing Tan
作者机构：
[Jiang, Wujiu; Tan, Yuxing; Qin, Qiqi; Xiao, Xiyuan] Hengyang Normal Univ, Nanyue Coll,Coll Chem & Mat Sci, Key Lab Funct Met Organ Cpds Hunan Prov,Key Lab O, Coll Hunan Prov,Hunan Prov Engn Res Ctr Monitorin, Hengyang 421008, Hunan, Peoples R China.
通讯机构：
[Wujiu Jiang; Yuxing Tan] K;Key Laboratory of Functional Metal-Organic Compounds of Hunan Province, Key Laboratory of Organometallic New Materials, College of Hunan Province, Hunan Provincial Engineering Research Center for Monitoring and Treatment of Heavy Metals Pollution in the Upper Reaches of XiangJiang River, College of Chemistry and Materials Science, Nanyue College, Hengyang Normal University, Hengyang, Hunan 421008, PR China
摘要：
Eight new diorganotin(IV) complexes (1a-2d), namely {[X-C6H4(O)C=N-N=C(Me)COO]R2Sn(CH3OH)}(n) (1a, 2a), {[X-C6H4(O)C=N-N=C(Me)COO]R2Sn(CH3OH)}(2) (1b, 1c, 1d, 2b), and {[X-C6H4(O)C=N-N=C(Me)COO]R2Sn}(2) (2c, 2d) (X = H-, p-Me-, p-OH-, p-NO2-; R = o-Cl-C6H4CH2- or o-Me-C6H4CH2-), have been synthesized by microwave "one-pot" reaction with arylformylhydrazine, pyruvic acid, and the corresponding R2SnCl2. All the complexes have been characterized by FT-IR (Fourier transform infrared spectroscopy), multinuclear NMR (H-1, C-13, and Sn-119 nuclear magnetic resonance spectroscopies), HRMS (high-resolution mass spectroscopy) and single-crystal X-ray structural analysis. The antiproliferative activity of all complexes was tested against the cancer cell lines NCI-H460, MCF-7 and HepG2. The diorganotin complex 1c has been shown to be more potent antitumor agents against HepG2 than other complexes and cisplatin. Flow cytometry analysis observation demonstrated that complex 1c mediated cell apoptosis of HepG2 cells and arrested cell cycle in the S phase. The single cell gel electrophoreses assay results show that the 1c induce DNA damage. The DNA binding activities of the 1c were studied by UV-visible absorption spectrometry, fluorescence competitive, circular dichroism measurements, and molecular docking, results shown 1c can be well embedded in the groove and cleave DNA.
摘要：
Sodium, silicate and carbonate ions co-substituted hydroxyapatite adsorbent (Na-SiCHAP) was prepared by sonochemistry coprecipitation. The effect of a variety of parameters on the adsorption of Pb2+ and Cd2+ by Na-SiCHAP were performed. The adsorption process of heavy metal ions was found to follow the pseudo-secondorder kinetic equation and Langmuir adsorption model. The maximum absorption capacity (Q(m)) of Na-SiCHAP for Pb2+ and Cd2+ ions in 303 K were 698.68 and 129.60 mg g(-1) according to the Langmuir adsorption model, respectively. The thermodynamic parameters (Delta G(0) <0, Delta S-0 >0, Delta H-0 >22k.J.mol(-1)) indicated that the absorption of Pb2+ and Cd2+ on the Na-SiCHAP was spontaneous and endothermic, and the Na-SiCHAP adsorbed mainly via chemical adsorption. Ion exchange of Pb2+ and Cd2+ for Ca2+ and Na+ was one of the principal mechanisms, followed by precipitation and electrostatic interactions. Furthermore, the well stability properties of the NaSiCHAP adsorbent were confirmed by recycling assays. These data indicate that Na-SiCHAP may be a good adsorbent for the rapid removal of heavy metal ions from aqueous solutions.
摘要：
A new species, Arisaema melanostomum, and a new combination, A. yunnanense subsp. quinquelobatum, are proposed, described and illustrated in this article.
摘要：
A new organotin complex [Ph3Sn(O2CC14H9)(CH3OH)]2 · CH3OH has been synthesized by the reaction of triphenyltin hydroxide with 9-anthroic acid in methanol. It was characterized by IR, 1H and 13C NMR, elemental analysis and X-ray crystal diffraction. Crystal structure shows a distorted trigonal bipyramidal configuration with five-coordination for the central tin atom. In the crystal, O-H···O hydrogen-bond interactions exist between the methanol O atom and the carbonyl O atom in an adjacent complex molecule, and between the neighboring methanol O atoms, resulting in the formation of a 1D S-shaped chain. Due to the C-H···π interactions between anthryl-H and anthracene ring, the obtained chain is further linked to form 1D ladderlike structure. Finally, a 2D network has been generated by the C-H···π interactions between methyl-H and benzene ring in the neighbouring 1D ladderlike chains. Fluorescence spectra of the complex reveals a strong emission band at 460 nm when excited with 360 nm radiation at room temperature. Thermogravimetric analysis shows that the complex is stable up to 240 °C. The stability of the complex, the orbital energies and composition characteristics of some frontier molicular orbitals have been investigaed at LANL2DZ level with G03W software.
