• 제목/요약/키워드: molecular interactions

검색결과 927건 처리시간 0.021초

Crystal Structure of cis-(Malonato)[(4R,5R)-4,5-bis(Aminomethyl)-2-Isopropyl-1,3-Dioxolane]Platinum(II), A Potent Anticancer Agent

  • Cho, Sang-Woo;Yongkee Cho;Kim, Dai-Kee;Wanchul Shin
    • 한국결정학회지
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    • 제11권1호
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    • pp.22-27
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    • 2000
  • The structure of cis-(malonato)[(4R,5R)-4,5-bis(aminomethyl)-2-isopropyl-1,3-dioxolane]platinum(II) with a potent anticancer activity has been determined by the X-ray crystallographic method. Crystal data are as follows: Pt(C/sub 11/H/sub 20/N₂O/sub 6/), M/sub 4/=471.38, monoclinic, P2₁, a=7.112(1), b=33.615(3), c=7.135(1)Å, β=116.80(1)°, V=1522.6(3)Å, and Z=4. The two independent molecules with very similar structures are approximately related by pseudo two-fold screw axis symmetry, which makes the monolinic cell look like the orthorhombic cell with one molecule in the asymmetric unit and space group C222₁. The crystal packing mode is similar to that of the analogue with the dimethyl substituents instead of the isopropyl group. The Pt atom is coordinate to two O and two N atoms in a square planar structure. The six-membered chelate ring in the leaving ligand assumes a conformation intermediate between the half chair and the boat forms. The seven-membered ring in the carrier ligand assumes a twist-chair conformation and the oxolane ring assumes an envelope conformation. Crystal packing consists of the extensive hydrogen-bonding network in the two-dimensional molecular layers and weak van der Waals interactions between these layers.

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Resistance Function of Rice Lipid Transfer Protein LTP110

  • Ge, Xiaochun;Chen, Jichao;Li, Ning;Lin, Yi;Sun, Chongrong;Cao, Kaiming
    • BMB Reports
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    • 제36권6호
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    • pp.603-607
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    • 2003
  • Abstract Plant lipid transfer proteins (LTPs) are a class of proteins whose functions are still unknown. Some are proposed to have antimicrobial activities. To understand whether LTP110, a rice LTP that we previously identified from rice leaves, plays a role in the protection function against some serious rice pathogens, we investigated the antifungal and antibacterial properties of LTP110. A cDNA sequence, encoding the mature peptide of LTP110, was cloned into the Impact-CN prokaryotic expression system. The purified protein was used for an in vitro inhibition test against rice pathogens, Pyricularia oryzae and Xanthomonas oryzae. The results showed that LTP110 inhibited the germination of Pyricularia oryzae spores, and its inhibitory activity decreased in the presence of a divalent cation. This suggests that the antifungal activity is affected by ions in the media; LTP110 only slightly inhibited the growth of Xanthomonas oryzae. However, the addition of LTP110 to cultured Chinese hamster ovarian cells did not retard growth, suggesting that the toxicity of LTP110 is only restricted to some cell types. Its antimicrobial activity is potentially due to interactions between LTP and microbe-specific structures.

THEORETICAL ANALYSIS ON THE PHOTOCHEMISTRY OF COUMARIN DERIVATIVES

  • Kim, Ja-Hong;Sohn, Sung-Ho;Kim, Jung-Sung
    • Journal of Photoscience
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    • 제2권2호
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    • pp.95-98
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    • 1995
  • The photodimers with cyclobutane rings and C$_2$ symmetry, derived from coumarin (syn, head to tail and anti, head to head) have been calculated by PM3-UHF-CI and Molecular Mechanics force field. The photocycloaddition to coumarin and 5,7-dimethoxycoumarin(DMC) dimers were deduced to be formed by their preferable frontier orbital interactions and via more stable cycloaddition by the C$_3$, C$_4$ bond. These results are consistent with the coumarin dimer model that the theoretical C$_4$-photocyclodimer of coumarin is predicted much more than the experimental C$_4$-photocyclodimer.

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Monitoring of phase separation between silk fibroin and sericin using various dye system

  • Kwak, Hyo Won;Lee, Ki Hoon
    • International Journal of Industrial Entomology and Biomaterials
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    • 제30권1호
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    • pp.1-5
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    • 2015
  • Understanding the interactions between fibroin and sericin is crucial in solving the mechanism of silk spinning. In this study, various commercially available dyes were used to monitor the interface between fibroin and sericin during the gelation of fibroin. The phase separation between fibroin and sericin could be observed by the addition of azo dyes over a certain molecular weight. Furthermore, the addition of the dyes to the sericin layer showed vivid phase separation over addition to the fibroin layer.

CO Observations of H II Regions Sh 254-258

  • Jung, Dong-Kyu;Kim, Kwang-Tae
    • 천문학회보
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    • 제40권2호
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    • pp.53.1-53.1
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    • 2015
  • The molecular clouds associated with bright optical HII regions Sh 254-258 are studied with the TRAO CO observations and with the WISE near-infrared emission. Based on the morphology of the clouds and the basic physical parameters derived with the LTE analysis, Pieces of evidences for physical interactions with its surroundings are investigated.

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Leucine Rich Repeat Sequence of the ${\delta}$ Endotoxin Family of Bacillus thuringiensis

  • Vudayagiri, Suvarchala;Jamil, Kaiser
    • BMB Reports
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    • 제33권1호
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    • pp.89-91
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    • 2000
  • In this investigation we report our search for the presence of Leucine Rich Repeats (LRRs) in various Bacillus thuringiensis (Bt) sub species. Leucine rich repeats are short sequence motifs present in some proteins. The consensus sequence corresponding to the LRR was present in Crystal proteins of Bacillus thuringiensis sub species. This LRR sequence has been predicted to be involved in proteinprotein interactions or receptor binding functions, hence the importance of this study.

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Translocation of DNA bases sandwiched between two graphene layers: an ab-initio study on their energetics and molecular fingerprints.

  • Shim, Yoon Su
    • EDISON SW 활용 경진대회 논문집
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    • 제3회(2014년)
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    • pp.442-445
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    • 2014
  • In this work, we studied the interactions of the complexes of a DNA base inserted between graphene layers through density functional theory (DFT) calculations. We find that there exists the negligible energy barrier as well as robust and distinguishable electronic fingerprints during the translocation of the DNA bases. Our result shows that the bilayer graphene can be a possible candidate for the future-generation of DNA sequencing device platform.

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High-temperature Materials and SHS Products

  • Natalya, Korobova;Soh, Dea-Wha
    • 동굴
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    • 제76호
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    • pp.31-36
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    • 2006
  • Self propagating High temperature Synthesised (SHS) ceramics have been widely used for various electronic applications. The investigation on SHS materials has been reported. The purposes of this study were as follows: fabricating the high temperature functional materials, and evaluating crystal structure and electrical properties. The regularities and peculiarities in SHS structures of high temperature materials as a result of the molecular interactions during burning process are considered.

Higher Order Knowledge Processing: Pathway Database and Ontologies

  • Fukuda, Ken Ichiro
    • Genomics & Informatics
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    • 제3권2호
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    • pp.47-51
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    • 2005
  • Molecular mechanisms of biological processes are typically represented as 'pathways' that have a graph­analogical network structure. However, due to the diversity of topics that pathways cover, their constituent biological entities are highly diverse and the semantics is embedded implicitly. The kinds of interactions that connect biological entities are likewise diverse. Consequently, how to model or process pathway data is not a trivial issue. In this review article, we give an overview of the challenges in pathway database development by taking the INOH project as an example.