• Title/Summary/Keyword: M-N interaction

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Solvolysis of 2-Phenylethyl Benzenesulfonates in Methanol-Water Mixtures

  • Han, Goang-Lae;Park, Jin-Ha;Lee, Ik-Choon
    • Bulletin of the Korean Chemical Society
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    • v.8 no.5
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    • pp.393-398
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    • 1987
  • Solvolyses of 2-phenylethyl benzenesulfonates have been studied in methanol-water mixtures. Cross interaction constants, $\rho_{YZ}$, between substituents Y in the substrate and Z in the leaving group indicated somewhat closer distance between the two substituents than expected for the reaction system, which supported the involvment of phenyl group assisted pathway in the solvolysis. A smaller magnitude of $\rho_{YZ}$for MeOH was interpreted as the enhencement of solvent assisted pathway since MeOH is more nucleophilic than $H_2O$. Other selectivity parameters, Winstein coefficient m, Hammett's $\rho_Y^{+_Y}$ and $\rho_Z$, as well as activation parameters supported the participation of aryl assisted and aryl unassisted pathways in the $S_{N^2}$ process of the solvolysis reaction.

DC23, a Triazolothione Resorcinol Analogue, Is Extensively Metabolized to Glucuronide Conjugates in Human Liver Microsomes

  • Shon, Jong Cheol;Joo, Jeongmin;Lee, Taeho;Kim, Nam Doo;Liu, Kwang-Hyeon
    • Mass Spectrometry Letters
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    • v.9 no.1
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    • pp.24-29
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    • 2018
  • DC23, a triazolothione resorcinol analogue, is known to inhibit heat shock protein 90 and pyruvate dehydrogenase kinase which are up-regulated in cancer and diabetes, respectively. This study was performed to elucidate the metabolism of DC23 in human liver microsomes (HLMs). HLMs incubated with DC23 in the presence of uridine 5'-diphosphoglucuronic acid (UDPGA) and/or ${\beta}$-nicotinamide adenine dinucleotide phosphate (NADPH) resulted in the formation of four metabolites, M1-M4. M1 was identified as DC23-N-Oxide, on the basis of LC-MS/MS analysis. DC23 was further metabolized to its glucuronide conjugates (M2, M3, and M4). In vitro metabolic stability studies conducted with DC23 in HLMs revealed significant glucuronide conjugation with a $t_{1/2}$ value of 1.3 min. The inhibitory potency of DC23 on five human cytochrome P450s was also investigated in HLMs. In these experiments, DC23 inhibited CYP2C9-mediated tolbutamide hydroxylase activity with an $IC_{50}$ value of $8.7{\mu}M$, which could have implications for drug interactions.

Studies on Crystallographic and Mossbauer Spectra of the LiFe0.9Mn0.1PO4 (LiFe0.9Mn0.1PO4 물질의 결정구조 및 뫼스바우어 분광 연구)

  • Kwon, Woo-Jun;Lee, In-Kyu;Rhee, Chan-Hyuk;Kim, Sam-Jin;Kim, Chul-Sung
    • Journal of the Korean Magnetics Society
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    • v.22 no.1
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    • pp.15-18
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    • 2012
  • The olivine structured $LiFe_{0.9}Mn_{0.1}PO_4$ material was prepared by solid state method, and was analyzed by x-ray diffractometer (XRD), superconducting quantum interference devices (SQUID) and Mossbauer spectroscopy. The crystal structure of $LiFe_{0.9}Mn_{0.1}PO_4$ was determined to be orthorhombic (space group: Pnma) by Rietveld refinement method. The value of N$\acute{e}$el temperature ($T_N$) for $LiFe_{0.9}Mn_{0.1}PO_4$ was determined 50 K. The temperature dependence of the magnetization curves showed magnetic phase transition from paramagnetic to antiferromagnetic at $T_N$ by SQUID measurement. M$\ddot{o}$ssbauer spectra of $LiFe_{0.9}Mn_{0.1}PO_4$ showed 2 absorption lines at temperatures above $T_N$ and showed asymmetric 8 absorption lines at temperatures below $T_N$. These spectra occurred due to the magnetic dipole and electric quardrupole interaction caused by strong crystalline field at asymmetric $FeO_6$ octahedral sites.

Spectrophotometric Determination of Ephedrine Alkaloids by Charge-Transfer Complexation (전하이동 착물형성에 의한 Ephedrine Alkaloids의 분석화학적 연구)

  • 옥치완;백채선
    • YAKHAK HOEJI
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    • v.31 no.5
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    • pp.330-337
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    • 1987
  • The weak UV absorbing ephedrine alkaloids such as ephedrine, pseudoephedrine, methylephedrine and norephedrine could be analyzed by charge-transfer spectrophotometric method. The results obtained are summarized as follows: (1) It was possible to determine a weak UV absorbing ephedrine alkaloids using the intense charge-transfer UV bands in chloroform. (2) This method was suitable for the spectrophotometric determination of ephedrine alkaloids in mixed pharmaceutical preparation. (3) Linear relationship was found between absorbance and concentration in the range of 1.0$\times$$10^{-5}M$~5$\times$$10^{-5}M$ of ephedrine ($\varepsilon$= 2.72$\times$$10^{4}LM^{-1}cm^{-1}$ and pseudoephedrine ($\varepsilon$=2.84$\times$$10^{4]LM^{-1}cm^{-1}$), 1.0$\times$$10^{-5}M$~5$\times$$10^{-5}$M of methylephdrine ($\varepsilon$=1.68$\times$$10^{4}LM^{-1}cm^{-1}$) and 1/3$\times$$10^{-4}M$~4/3$\times$$10^{-4}M$ of norephedrine ($\varepsilon$=0.74$\times$$10^{4}LM^{-1}cm^{-1}$. (4) CT- complex of ephedrine, pseudoephedrine and methylephedrine has absorption maxima at 293nm and norephedrine have absorption maximum at 253nm. (5) CT-complexes were formed in a 1:1 ratio between ephedrine alkaloids and iodine in chloroform. (6) By UV, IR, and $^1H$-NMR spectra, it could be inferred that CT-complexes were formed by interaction between the basic nitrogen of ephedrine alkaloids as electron (n) donor and iodine as electron ($\sigma$) acceptor.

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Molecular Analysis of the Interaction between Human PTPN21 and the Oncoprotein E7 from Human Papillomavirus Genotype 18

  • Lee, Hye Seon;Kim, Min Wook;Jin, Kyeong Sik;Shin, Ho-Chul;Kim, Won Kon;Lee, Sang Chul;Kim, Seung Jun;Lee, Eun-Woo;Ku, Bonsu
    • Molecules and Cells
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    • v.44 no.1
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    • pp.26-37
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    • 2021
  • Human papillomaviruses (HPVs) cause cellular hyperproliferation-associated abnormalities including cervical cancer. The HPV genome encodes two major viral oncoproteins, E6 and E7, which recruit various host proteins by direct interaction for proteasomal degradation. Recently, we reported the structure of HPV18 E7 conserved region 3 (CR3) bound to the protein tyrosine phosphatase (PTP) domain of PTPN14, a well-defined tumor suppressor, and found that this intermolecular interaction plays a key role in E7-driven transformation and tumorigenesis. In this study, we carried out a molecular analysis of the interaction between CR3 of HPV18 E7 and the PTP domain of PTPN21, a PTP protein that shares high sequence homology with PTPN14 but is putatively oncogenic rather than tumor-suppressive. Through the combined use of biochemical tools, we verified that HPV18 E7 and PTPN21 form a 2:2 complex, with a dissociation constant of 5 nM and a nearly identical binding manner with the HPV18 E7 and PTPN14 complex. Nevertheless, despite the structural similarities, the biological consequences of the E7 interaction were found to differ between the two PTP proteins. Unlike PTPN14, PTPN21 did not appear to be subjected to proteasomal degradation in HPV18-positive HeLa cervical cancer cells. Moreover, knockdown of PTPN21 led to retardation of the migration/invasion of HeLa cells and HPV18 E7-expressing HaCaT keratinocytes, which reflects its protumor activity. In conclusion, the associations of the viral oncoprotein E7 with PTPN14 and PTPN21 are similar at the molecular level but play different physiological roles.

Kinetic Mechanism of Nucleotide Binding to Escherichia coli Transcription Termination Factor Rho: Stopped-flow Kinetic Studies Using ATP and Fluorescent ATP Analogues

  • Kim, Dong-Eun
    • Biotechnology and Bioprocess Engineering:BBE
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    • v.9 no.1
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    • pp.23-34
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    • 2004
  • Escherichia coli transcription termination factor Rho catalyzes the unwinding of RNA/DNA duplex in reactions that are coupled to ATP binding and hydrolysis. Fluorescence stopped-flow methods using ATP and the fluorescent 2'(3')-O-( N-methylanthraniloyl) derivatives (mant-derivatives) of ATP and ADP were used to probe the kinetics of nucleotide binding to and dissociation from the Rho-RNA complex. Presteady state nucleotide binding kinetics provides evidence for the presence of negative cooperativity in nucleotide binding among the multiple nucleotide binding sites on Rho hexamer. The binding of the first nucleotide to the Rho-RNA complex occurs at a bimolecular rate of 3.6${\times}$10$\^$6/ M$\^$-1/ sec$\^$-1/ whereas the second nucleotide binds at a slower rate of 4.7${\times}$10$\^$5/ M$\^$-1/ sec$\^$-1/ at 18$^{\circ}C$, RNA complexed with Rho affects the kinetics of nucleotide interaction with the active sites through conformational changes to the Rho hexamer, allowing the incoming nucleotide to be more accessible to the sites. Adenine nucleotide binding and dissociation is more favorable when RNA is bound to Rho, whereas ATP binding and dissociation step in the absence of RNA occurs significantly slower, at a rate ∼70- and ∼40-fold slower than those observed with the Rho-RNA complex, respectively.

Use of Bentonite and Organobentonite as Alternatives of Partial Substitution of Cement in Concrete Manufacturing

  • Lima-Guerra, D.J.;Mello, I.;Resende, R.;Silva, R.
    • International Journal of Concrete Structures and Materials
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    • v.8 no.1
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    • pp.15-26
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    • 2014
  • In order to study the capacities of a new occurrence of Brazilian clay samples as partial replacements of cement, a bentonite sample was selected for utilization in the natural and modified forms for present study. The natural bentonite (BBT) was modified by anchorament of 3-aminopropyltrietoxisilane ($BBT_{APS}$) and 3,2-aminoethylaminopropyltrimetoxisilane (BBTAEAPS) in the surface of component minerals of bentonite sample. The original and organo-bentonite samples were characterized by elemental analysis, scanning electron microscopic and textural analyses. The values of micropore area were varying from $7.2m^2g^{-1}$ for the BBT to $12.3m^2g^{-1}$ for the $BBT_{AEAPS}$. The bentonite samples were characterized by the main variable proportion of bentonite in the natural and intercalated forms (2, 5, 10, 15, 20, 25, 30, and 35 % by weight of cement) in the replacement mode whiles the amount of cementations material. The workability, density of fresh concrete, and absorption of water decreased as the substitution of ordinary Portland cement by perceptual of natural and modified bentonite increased. The results reveal that workability decreased with decrease of the amount of natural bentonite in the concrete, same behavior is observed for bentonite functionalized, varying from 49 to 28 mm. The energetic influence of the interaction of calcium nitrate in the structure of blends was determined through the calorimetric titration procedure.

Biological Control Strategy of Uzi Fly in Sericulture

  • Singh, R.N.;Saratchandra, Beera
    • International Journal of Industrial Entomology and Biomaterials
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    • v.6 no.2
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    • pp.125-132
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    • 2003
  • Uzi fly (Exorista bombycis Louis) is one of the major larval endo-parasitoid of silkworm (Bombyx mori). It causes extensive damage to sericulture industry. The application of synthetic organic pesticides has tremendous impact on minimizing pest population but their overuse and frequent misuse and high sensitivity towards the silkworms, has forced the entomologists to search for alternatives to chemical control, which is safe to silkworm, environment and farm workers. Biological control continues to offer exciting possibilities for the control of fly pest population. It is environmentally safe alternative to chemical control and offering a long-term protection. Several potential hymenopteran parasitoids have been screened. Among successful natural enemies, Nesolynx thymus, Trichomalopsis apanteloctena, Trichopria sp., Brachymeria lasus, Pediobius sp., Spalangia sp., Spilomicrus karnatakensis and Dhirhinus sp. are important. It is essential to predict accurately the efficacy of these natural enemies in a new habitat prior to its introduction. The important desirable attributes of these potential parasitoids viz., host searching capacity, specificity, power of increase and fitness and adaptability of the parasitoid in new environment has been recorded. Results of the host parasitoid interaction indicate that the aging of the host function as a factor that influence the host finding efficiency of the parasitoid. It is highly scored with 15-20 hrs old pupa of the host. However, aging of the parasitoid does not significantly affect it. The sex ratio is female biased which is advantageous from biological control point of view, Biological suppression methods involving conservation and utilization of natural enemies have been discussed in detail.

A Syudy on the Deposition Film Properties of Arachidic acid and Stearic acid (Arachidic acid와 Stearic acid의 누적막 특성에 관한 연구)

  • Choi, Young-Il;Kang, Young-Chul;Song, Jin-Won;Lee, Kyung-Sup;Oh, Jea-Han;Cho, Su-Young;Kim, Younq-Geun
    • Proceedings of the KIEE Conference
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    • 2001.07c
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    • pp.1527-1529
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    • 2001
  • The physicochemical properties of the LB films were by AFM. We give pressure stimulation into organic thin films and then manufacture a device under the accumulation condition that the state surface pressure is 2, 10, 30[mN/m]. The stable images are probably due to a s interaction between the monolayer film and substrate. We are unable to obtain molecule res in images of the films but did see a marked co between images of the bare substrate and those the network structure film deposited ont Formation that prevent when gas phase stat liquid phase state measure but Could know o matter that molecules form equal and stable when molecules were not distributed evenly, accumulated in solid state only.

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Analysis of risk for high-speed trains caused by crosswind in subgrade settlement zones based on CFD-FE coupling

  • Qian Zhang;Xiaopei Cai;Tao Wang;Yanrong Zhang;Shusheng Yang
    • Wind and Structures
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    • v.37 no.4
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    • pp.275-287
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    • 2023
  • Subgrade differential settlement of high-speed railways was a pivotal issue that could increase the risk of trains operation. The risk will be further increased when trains in the subsidence zone are affected by crosswinds. In this paper, the computational fluid dynamics (CFD) model and finite element (FE) model were established, and the data transmission interface of the two models was established by fluid-solid interaction (FSI) method to form a systematic crosswind-train-track-subgrade dynamic model. The risk of high-speed train encountering crosswind in settlement area was analyzed. The results showed that the aerodynamic force of the trains increased significantly with the increase in crosswind speed. The aerodynamic force of the trains could reach 125.14 kN, significantly increasing the risk of derailment and overturning. Considering the influence of crosswind, the risk of train operation could be greatly increased. The safety indices and the wheel-rail force both increased with the increase of the wind speed. For the high-speed train running at 350 km/h, the warning value of wind speed was 10.2 m /s under the condition of subgrade settlement with wavelength of 20 m and amplitude of 15 mm.