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Youn, Il Seung,Kim, Dong Yeon,Cho, Woo Jong,Madridejos, Jenica Marie L.,Lee, Han Myoung,Kołaski, Maciej,Lee, Joonho,Baig, Chunggi,Shin, Seung Koo,Filatov, Michael,Kim, Kwang S. American Chemical Society 2016 The Journal of physical chemistry A Vol.120 No.46
<P>Various types of interactions between halogen (X) and pi moiety (X-pi interaction) including halogen bonding play important roles in forming the structures of biological, supramolecular, and nanomaterial systems containing halogens and aromatic rings. Furthermore, halogen molecules such as X-2 and CX4 (X = Cl/Br) can be intercalated in graphite and bilayer graphene for doping and graphene functionalization/modification. Due to the X-pi interactions, though recently highly studied, their structures are still hardly predictable. Here, using the coupled-cluster with single, double, and noniterative triple excitations (CCSD(T)), the Moller-Plesset second-order perturbation theory (MP2), and various flavors of density functional theory (DFT) methods, we study complexes of benzene (Bz) with halogen-containing molecules X-2 and CX4 (X = Cl/Br) and analyze various components of the interaction energy using symmetry adapted perturbation theory (SAPT). As for the lowest energy conformers (S1), X-2-Bz is found to have the T-shaped structure where the electropositive X atom-end of X-2 is pointing to the electronegative midpoint of CC bond of the Bz ring, and CX4-Bz has the stacked structure. In addition to this CX4 Bz (S1), other low energy conformers of X-2-Bz (S2/S3) and CX4-Bz (S2) are stabilized primarily by the dispersion interaction, whereas the electrostatic interaction is substantial. Most of the density functionals show noticeable deviations from the CCSD(T) complete basis set (CBS) limit binding energies, especially in the case of strongly halogen-bonded conformers of X-2-Bz (S1), whereas the deviations are relatively small for CX4-Bz where the dispersion is more important. The halogen bond shows highly anisotropic electron density around halogen atoms and the DFT results are very sensitive to basis set. The unsatisfactory performance of many density functionals could be mainly due to less accurate exchange. This is evidenced from the good performance by the dispersion corrected hybrid and double hybrid functionals. B2GP-PLYP-D3 and PBE0-TS (Tkatchenko-Scheffler)/D3 are well suited to describe the X-pi interactions adequately, close to the CCSD(T)/CBS binding energies (within similar to 1 kJ/mol). This understanding would be useful to study diverse X-pi interaction driven structures such as halogen containing compounds intercalated between 2-dimensional layers.</P>
Dixon, Scott J,Fedyshyn, Yaroslav,Koh, Judice L Y,Prasad, T S Keshava,Chahwan, Charly,Chua, Gordon,Toufighi, Kiana,Baryshnikova, Anastasija,Hayles, Jacqueline,Hoe, Kwang-Lae,Kim, Dong-Uk,Park, Han-Oh National Academy of Sciences 2008 PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF Vol.105 No.43
<P>Synthetic lethal genetic interaction networks define genes that work together to control essential functions and have been studied extensively in Saccharomyces cerevisiae using the synthetic genetic array (SGA) analysis technique (ScSGA). The extent to which synthetic lethal or other genetic interaction networks are conserved between species remains uncertain. To address this question, we compared literature-curated and experimentally derived genetic interaction networks for two distantly related yeasts, Schizosaccharomyces pombe and S. cerevisiae. We find that 23% of interactions in a novel, high-quality S. pombe literature-curated network are conserved in the existing S. cerevisiae network. Next, we developed a method, called S. pombe SGA analysis (SpSGA), enabling rapid, high-throughput isolation of genetic interactions in this species. Direct comparison by SpSGA and ScSGA of approximately 220 genes involved in DNA replication, the DNA damage response, chromatin remodeling, intracellular transport, and other processes revealed that approximately 29% of genetic interactions are common to both species, with the remainder exhibiting unique, species-specific patterns of genetic connectivity. We define a conserved yeast network (CYN) composed of 106 genes and 144 interactions and suggest that this network may help understand the shared biology of diverse eukaryotic species.</P>
Li, C.J.,Xu, Z.H.,Dong, Z.X.,Shi, S.L.,Zhang, J.G. Asian Australasian Association of Animal Productio 2016 Animal Bioscience Vol.29 No.8
Whole-crop wheat (Triticum aestivum L.) as forage has been extensively used in the world. In this study, the effects of N application rates on the yields, nutritive value and silage quality were investigated. The N application rates were 0, 75, 150, 225, and 300 kg/ha. The research results indicated that the dry matter yield of whole-crop wheat increased significantly with increasing N rate up to 150 kg/ha, and then leveled off. The crude protein content and in vitro dry matter digestibility of whole-crop wheat increased significantly with increasing N up to 225 kg/ha, while they no longer increased at N 300 kg/ha. On the contrary, the content of various fibers tended to decrease with the increase of N application. The content of lactic acid, acetic acid and propionic acid in silages increased with the increase of N rate (p<0.05). The ammonia-N content of silages with higher N application rates (${\geq}225kg/ha$) was significantly higher than that with lower N application rates (${\leq}150kg/ha$). Whole-crop wheat applied with high levels of N accumulated more nitrate-N. In conclusion, taking account of yields, nutritive value, silage quality and safety, the optimum N application to whole-crop wheat should be about 150 kg/ha at the present experiment conditions.
Optimal design of a viscous inertial mass damper for a taut cable by the fixed-points method
S.L. Xu,Y. F. Duan,S.H. Dong,C.B. Yun 국제구조공학회 2022 Smart Structures and Systems, An International Jou Vol.30 No.1
The negative stiffness of an active or semi-active damper system has been proven to be very effective in reducingdynamic response. Therefore, energy dissipation devices possessing negative stiffness, such as viscous inertial mass dampers (VIMDs), have drawn much attention recently. The control performance of the VIMD for cable vibration mitigation has already been demonstrated by many researchers. In this paper, a new optimal design procedure for VIMD parameters for taut cable vibration control is presented based on the fixed-points method originally developed for tuned mass damper design. A model consisting of a taut cable and a VIMD installed near a cable end is studied. The frequency response function (FRF) of the cable under a sinusoidal load distributed proportionally to the mode shape is derived. Then, the fixed-points method is applied to the FRF curves. The performance of a VIMD with the optimal parameters is subsequently evaluated through simulations. A taut cable model with a tuned VIMD is established for several cases of external excitation. The performance of VIMDs using the proposed optimal parameters is compared with that in the literature. The results show that cable vibration can be significantly reduced using the proposed optimal VIMD with a relatively small amount of damping. Multiple VIMDs are applied effectively to reduce the cable vibration with multi-modal components.
Radiative decay of theψ(2S)into two pseudoscalar mesons
Bai, J. Z.,Ban, Y.,Bian, J. G.,Blum, I.,Chen, A. D.,Chen, G. P.,Chen, H. F.,Chen, H. S.,Chen, J.,Chen, J. C.,Chen, X. D.,Chen, Y.,Chen, Y. B.,Cheng, B. S.,Choi, J. B.,Cui, X. Z.,Ding, H. L.,Dong, L. Y American Physical Society 2003 Physical review. D, Particles and fields Vol.67 No.3