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Good performance of Sc (0001) surface adsorbing CO molecule
Hao Zhi-Qiang,Yang Jian-Long,Li Hui,Yao Jian-Gang 한국물리학회 2022 THE JOURNAL OF THE KOREAN PHYSICAL SOCIETY Vol.80 No.9
There is a big discrepancy in terms of calculating the surface energy of the HCP Sc (0001) surface for previous theoretical results. Herein, we used a relatively reasonable method to predict the calculated value (1.263 J/m2), which agrees well with the experimental outcome (1.275 J/m2). Based on this, the adsorption behaviors of CO at different sites, i.e., hollow (H1, H2, and H3), bridge (B1), and top sites (T1), were explored theoretically. The results suggest that hollow sites, particularly the H1 site exhibits a good performance in adsorbing CO molecule, and that the adsorption energy reaches nearly 3.5 eV, which corresponds to a significant elongation of the C–O distance (more than 24%). In addition, the CO adsorbed at the H1 site is seen to be located parallelly at the surface. An obvious substantive variation of the CO molecular orbit of H1 adsorption site is observed.
Chiral Pool Synthesis of N-Cbz-cis-(3R,4R)-3-methylamino-4-methylpiperidine from L-Malic acid
Hao, Bao-Yu,Liu, Jin-Qiang,Zhang, Wei-Han,Chen, Xin-Zhi Korean Chemical Society 2013 Bulletin of the Korean Chemical Society Vol.34 No.5
A new synthetic route to N-Cbz-cis-(3R,4R)-3-methylamino-4-methylpiperidine, key intermediate for CP-690,550, was disclosed with L-malic acid as the chiral pool starting material. The title compound was obtained in 16 steps with a total yield of 26% and more than 98% ee.
Using the Eigenvalue Partition to Compute the Automorphism Group
HAO Jian-Qiang,GONG Yun-Zhan,LIU Hong-Zhi 보안공학연구지원센터 2016 International Journal of Hybrid Information Techno Vol.9 No.6
To solve the automorphism group of a graph is a fundamental problem in graph theory. Moreover, it usually is an essential process for graph isomorphism testing. At present, because existing algorithms ordinarily cannot efficiently compute the automorphism group of a graph, ones cannot entirely resolve the graph isomorphism problem. To calculate the automorphism group of a weighted graph, first, briefly review the history of automorphism. Second, introduce the concept of eigenvalue partition. Third, using algebraic methods, examine not only the relationships between the diagonal form of an adjacency matrix and its eigenvalues and eigenvectors, but also the relationships between its eigenvalues and eigenvectors and the automorphism group. Furthermore, prove Theorem 2 to 8. In addition, propose Conjecture 1 and three open problems. By these theorems, present a novel method to resolve the automorphism group of a weighted graph. If a graph has no duplicate eigenvalues and Conjecture 1 is true, it can determine the automorphism group of a weighted graph in polynomial time by the method. Although this method has certain limitations and needs improvements, it is theoretically a necessary complement to solve the automorphism group. Finally, it shows the close relationships that exist between an orthogonal matrix and a permutation matrix, also an orthogonal matrix and an automorphism.
Zhi Hao,Junqi Shen,Xiang Sheng,Zong Shen,Le Yang,Xuefeng Lu,Zhu Luo,Qiang Zheng 한국섬유공학회 2020 Fibers and polymers Vol.21 No.2
This paper details a new method for improving the interfacial bonding between PA66 short fiber (PSF) and natural rubber (NR) by reaction of the methacrylic acid (MAA)-grafting-modified PSF with rubber during vulcanization. Carboncarbon double bonds introduced to the SF surface by MAA grafting were opened, and a vulcanization reaction occurred between the modified PSF and rubber in the presence of sulfur. The chemical reactions were verified by FTIR and XPS. The processing rheological behaviors of the compounded composites were investigated by a rubber processing analyzer (RPA). The morphology of modified PSF was characterized by AFM and SEM. The improved interfacial bonding was confirmed by DMA, which enhanced deformational stress at definite elongation of the NR/PSF composites. The volume concentration of the MAA solution for grafting on the SF surface had a great influence on the interfacial bonding and mechanical properties of the composites; when the volume concentration was 30 %, the modified PSF-reinforced NR/CB had the best interfacial bonding and mechanical properties.
Zhi-Qiang Feng,Xiao-Li Yang,Yuan-Feng Ye,Lin-Yun Hao 대한화학회 2014 Bulletin of the Korean Chemical Society Vol.35 No.4
The design, synthesis, and structural characterization of two new palladium complexes based on Schiff base ligands is reported; [Pd(L1)2] (1) and [Pd(L2)2] (2), [HL1 = 2-((E)-(2,6-diethylphenylimino)methyl)-4,6- dibromophenol, L2 = (E)-N-benzylidene-2,6-diethylbenzenamine], which are obtained by functionalizing Schiff base ligands with or without electron-withdrawing groups. Both compounds are mononuclear structures. Comparisons are made to the compounds 1 and 2 to analyze and understand the effect of electron-withdrawing groups. Antibacterial activity studies indicate the electron-withdrawing groups on Schiff base ligands enhance antibacterial activity. Catalytic activity, however, is reduced due to the enhanced steric-hindrance of the electron-withdrawing groups. Electronic absorption and emission properties of HL1, L2, 1 and 2 are also reported.
Tian‐Hao Tu,Ji-Rui WANG,Jian-Qiang GU,Tian-Qi LI,Kun LV,Guo-Xin ZHOU,Zhi-Hong XU 한국곤충학회 2019 Entomological Research Vol.49 No.2
Due to habitat fragmentation, the loss of species diversity has been extensively studied. On the contrary, the effects of habitat fragmentation on functional diversity is still poorly understood. In the Thousand Island Lake, we conducted studies of insect functional diversity on a set of 29 isolated islands. We used 10 functional diversity indices from three aspects (functional richness, functional evenness and functional divergence) to respectively describe functional diversity of insects on sample islands. We found the following results: (i) The functional indices selected could reflect the functional diversity of sample islands and it is further proved that in general, three components of functional diversity were independent of each other; (ii) Sample islands could be divided into two categories, island JSD and the remaining islands; (iii) Functional richness increased with island area and shape index, but had no significant correlation with isolation. Likewise, both functional evenness and functional divergence had no significant correlation with island attributes. The conclusion to emphasize from our research is that: (i) habitat fragmentation reduced the biological functional diversity to some extent, further demonstrating the importance of habitat continuity in biodiversity protection; and (ii) for functional diversity protection of insects in a fragmented landscape, an island which has high approximate shape index values of at least hundred hectare magnitude order has a critical promoting effect.
Feng, Zhi-Qiang,Yang, Xiao-Li,Ye, Yuan-Feng,Hao, Lin-Yun Korean Chemical Society 2014 Bulletin of the Korean Chemical Society Vol.35 No.4
The design, synthesis, and structural characterization of two new palladium complexes based on Schiff base ligands is reported; $[Pd(L1)_2]$ (1) and $[Pd(L2)_2]$ (2), [HL1 = 2-((E)-(2,6-diethylphenylimino)methyl)-4,6-dibromophenol, L2 = (E)-N-benzylidene-2,6-diethylbenzenamine], which are obtained by functionalizing Schiff base ligands with or without electron-withdrawing groups. Both compounds are mononuclear structures. Comparisons are made to the compounds 1 and 2 to analyze and understand the effect of electron-withdrawing groups. Antibacterial activity studies indicate the electron-withdrawing groups on Schiff base ligands enhance antibacterial activity. Catalytic activity, however, is reduced due to the enhanced steric-hindrance of the electron-withdrawing groups. Electronic absorption and emission properties of HL1, L2, 1 and 2 are also reported.
Chiral Pool Synthesis of N-Cbz-cis-(3R,4R)-3-methylamino-4-methylpiperidine from L-Malic acid
Bao-Yu Hao,Jin-Qiang Liu,Wei-Han Zhang,Xin-Zhi Chen 대한화학회 2013 Bulletin of the Korean Chemical Society Vol.34 No.5
A new synthetic route to N-Cbz-cis-(3R,4R)-3-methylamino-4-methylpiperidine, key intermediate for CP- 690,550, was disclosed with L-malic acid as the chiral pool starting material. The title compound was obtained in 16 steps with a total yield of 26% and more than 98% ee.
Hou Jing-Hao,He Yu,Ma Yu,Guo Jin-Meng,Wei Zhi-Qiang,Yan Qi,Zhang Jin,Dong Shuanglin 한국응용곤충학회 2023 Journal of Asia-Pacific Entomology Vol.26 No.2
Some chemosensory genes are found to be expressed specifically or highly in the male reproductive system, suggesting their importance in male reproductive physiology. In this paper, we identified chemosensory genes expressed in the male reproductive system of the moth pest Spodoptera exigua by transcriptome and proteome sequencing, and further determined expression patterns of these genes regarding antennae and different tissues of the male reproductive system (testes, vas deferens, seminal vesicles, ejaculatory ducts, male accessory glands) by the real-time quantitative PCR (qPCR). Transcriptome analysis showed that 46 chemosensory genes were expressed in the male reproductive system of S. exigua, including 18 odorant binding proteins (OBPs), 12 che mosensory proteins (CSPs), 10 odorant receptors (ORs) and 6 other chemosensory genes. Further qPCR mea surements revealed that 14 chemosensory genes were expressed specifically or highly in the male reproductive tissues, relative to that in male antennae. Of the 14 genes, OBP17, OBP22, OBP27 and GR43 were specifically expressed in the testes; OBP20 was specifically expressed in the vas deferens; and PBP4 was specifically expressed in the male accessory glands. In addition, proteome data of the spermatophore confirmed that at least 4 OBPs and one CSP were transmitted from males to females, suggesting their function in the reproductive physiology of mated females. The results provide insights into the functional diversity of chemosensory genes, and bases for exploring functions of these chemosensory genes in male reproductive physiology.