• Title/Summary/Keyword: M-N interaction

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Basis Set Superposition Error on Structures and Complexation Energies of Organo-Alkali Metal Iodides

  • Kim, Chang-Kon;Zhang, Hui;Yoon, Sung-Hoon;Won, Jon-Gok;Kim, Chan-Kyung
    • Bulletin of the Korean Chemical Society
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    • v.31 no.8
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    • pp.2228-2234
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    • 2010
  • Theoretical studies have been performed to study the binding characteristics of the alkali metal iodides, M-I (M = Li, Na, K), to poly(ethylene oxide) (PEO, I), poly(ethylene amine) (PEA, II) and poly(ethylene N-methylamine) (PEMA, III) via the B3LYP method. In this study, two types of complexes, singly-coordinated systems (SCS) and doubly-coordinated systems (DCS), were considered, and dissociation energies (${\Delta}E_D$) were calculated both with and without basis set superposition error (BSSE). Two types of counterpoise (CP) approach were investigated in this work, but the ${\Delta}E_D$ values corrected by using the function CP (fCP) correction exhibited an unusual trend in some cases due to deformation of the sub-units. This problem was solved by including geometry relaxation in the CP-corrected (GCP) interaction energy. On the other hand, the effects of the BSSE on the structures were very small when the complexes were re-optimized on the CP-corrected (RCP) potential energy surface (PES), even if the bond lengths between X and $M^+$ ($d_{{X-M}^+}$) and between $M^+$ and $I^-$ ($d_{M^+-I^-}$) were slightly lengthened. Therefore, neither the GCP nor RCP corrections made much difference to the dissociation energies.

GROWTH AND FEED UTILIZATION IN BLACK BENGAL GOATS ON ROAD SIDE GRASS BASED DIET SUPPLEMENT WITH FISH MEAL AND UREA MOLASSES BLOCK

  • Huq, M.A.;Akhter, S.;Hashem, M.A.;Howlider, M.A.R.;Saadullah, M.;Hossain, M.M.
    • Asian-Australasian Journal of Animal Sciences
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    • v.9 no.2
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    • pp.155-158
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    • 1996
  • Seventy two Black Bengal goats on road side grass based diet were fed on 0, 20, 40, 80, 100 or 120 g of fish meal (FM)/goat/day with or without ad libitum access to urea molasses block(UMB). The purpose was to assess the interaction of undegradable protein (UDP) and fermentable nitrogen(N) supplementation on feed intake, nutrient digestibility and growth of goats. Live weight gain of goats increased linearly with the increasing of dietary fish meal as an undegradable protein source. With the increasing level of fish meal the live weight gain(g/day) was 17, 23, 46, 48, 48 and 52 with urea molasses block and 12, 21, 31, 49, 47 and 47 without urea molasses block. It was concluded that the beneficial effects of urea molasses feeding to accelerate the dry matter intake, TDN intake and nutrient digestibility observed could not be exploited in terms of live weight gain.

Screening and Analysis for cTPx II-Interacting Protein Using Yeast Wo-hybrid System (Yeast Two-hybrid System을 이용한 cTPx II 결합단백질 탐색 및 분석)

  • Kim. Il-Han;Oh, Young-Mee;Cha, Mee-Kyung
    • The Journal of Natural Sciences
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    • v.15 no.1
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    • pp.79-88
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    • 2005
  • There are five isoforms of thiol peroxidase in yeast. Each isoform was named after its subcellular localization such as cytoplasmic TPx I, cTPx II, cTPx III, mitochondrial TPx (mTPx), and nuclear TPx (nTPx). Recently, we reported that unlike other TPx null mutants, cTPx IInull mutant showed a slow-growth phenotype. This observation suggests that cTPx II might be involved in yeast cell growth. In this study, for a first step toward to investigate the physiological function of cTPx II in yeast, we have identified a novel interaction between cTPx II and various proteins by using the yeast two-hybrid system.

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New DOI Detector Using a Bottom and Side Readouts with a Cross-Arranged Scintillator Array for Positron Emission Tomography

  • Lee, Seung-Jae;Baek, Cheol-Ha
    • Journal of the Korean Physical Society
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    • v.73 no.12
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    • pp.1904-1907
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    • 2018
  • We designed a depth-encoding positron emission tomography (PET) detector by using a bottom and side readout method with a cross-arranged scintillator array. To evaluate the characteristics of the novel detector module, we used the DETECT2000 simulation tool to perform the optical photon transport in the crystal array. The detector module consists of an $M(column){\times}N(row)$ cross-arranged crystal array composed of M/3 sub-arrays consisting of $N{\times}3$ crystals. The second column of the sub-array is arranged perpendicular to the first and the third columns. The crystal is optically coupled to the crystals of the other columns; however, the surfaces between the crystals in the same column are treated as reflectors. A $6{\times}5$ crystal array consisting of two sub-arrays was considered for proof of concept. The two multi-pixel photon counter (MPPC) arrays are coupled to the bottom and one side of the crystal array, respectively. The x-y position is determined by the bottom MPPC array, and the side MPPC array gives depth information. All pixels in the x-y plane and the z direction were clearly distinguished.

Recovery of TRIM25-Mediated RIG-I Ubiquitination through Suppression of NS1 by RNA Aptamers

  • Woo, Hye-Min;Lee, Jin-Moo;Kim, Chul-Joong;Lee, Jong-Soo;Jeong, Yong-Joo
    • Molecules and Cells
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    • v.42 no.10
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    • pp.721-728
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    • 2019
  • Non-structural protein 1 (NS1) of influenza virus has been shown to inhibit the innate immune response by blocking the induction of interferon (IFN). In this study, we isolated two single-stranded RNA aptamers specific to NS1 with $K_d$ values of $1.62{\pm}0.30nM$ and $1.97{\pm}0.27nM$, respectively, using a systematic evolution of ligand by exponential enrichment (SELEX) procedure. The selected aptamers were able to inhibit the interaction of NS1 with tripartite motif-containing protein 25 (TRIM25), and suppression of NS1 enabled retinoic acid inducible gene I (RIG-I) to be ubiquitinated regularly by TRIM25. Additional luciferase reporter assay and quantitative real-time PCR (RT-PCR) experiments demonstrated that suppression of NS1 by the selected aptamers induced IFN production. It is noted that viral replication was also inhibited through IFN induction in the presence of the selected aptamers. These results suggest that the isolated aptamers are strongly expected to be new therapeutic agents against influenza infection.

A Pumilio Activity Sensor Reveals Bag-of-Marbles Inhibition of Pum Activity in the Drosophila Ovary

  • Wijeong Jang;Changsoo Kim
    • Development and Reproduction
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    • v.27 no.1
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    • pp.39-46
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    • 2023
  • Pumilio (Pum) is an RNA-binding protein and translational repressor important to diverse biological processes. In the Drosophila ovary, Pum is expressed in female germline stem cells (GSCs), wherein it acts as an intrinsic stem cell maintenance factor via repressing target mRNAs that are as yet mostly unknown. Pum recognizes the Pum binding sequence (PBS) in the mRNA 3'UTR through its C-terminus Puf domain. Translational repression is mediated through its N-terminal domain, but the molecular mechanism remains largely unknown. We previously showed that Bag-of-marbles, a critical differentiation-promoting factor of female GSCs, physically interacts with the N-terminus of Pum. We further showed that this interaction is critical to Bam inhibition of Pum repressive action in cultured cells, but the physiological relevance was not addressed. Here we design an in vivo GFP translational reporter bearing the PBS in its 3'UTR and show that GFP expression is reduced in cells wherein Pum is known to be active. Furthermore, we demonstrate in pum mutant ovary that this GFP repression requires Pum, and also that the sensor faithfully monitors Pum activity. Finally, we show that forced expression of Bam inhibits Pum-mediated repression, validating that Bam inhibits Pum activity in vivo.

Discrete element modeling of strip footing on geogrid-reinforced soil

  • Sarfarazi, Vahab;Tabaroei, Abdollah;Asgari, Kaveh
    • Geomechanics and Engineering
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    • v.29 no.4
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    • pp.435-449
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    • 2022
  • In this paper, unreinforced and geogrid-reinforced soil foundations were modeled by discrete element method and this performed under surface strip footing loads. The effects of horizontal position of geogrid, vertical position, thickness, number, confining pressure have been investigated on the footing settlement and propagation of tensile force along the geogrids. Also, interaction between rectangular tunnel and strip footing with and without presence of geogrid layer has been analyzed. Experimental results of the literature were used to validation of relationships between the numerically achieved footing pressure-settlement for foundations of reinforced and unreinforced soil. Models and micro input parameters which used in the numerical modelling of reinforced and unreinforced soil tunnel were similar to parameters which were used in soil foundations. Model dimension was 1000 mm* 600 mm. Normal and shear stiffness of soils were 5*105 and 2.5 *105 N/m, respectively. Normal and shear stiffness of geogrid were 1*109 and 1*109 N/m, respectively. Loading rate was 0.001 mm/sec. Micro input parameters used in numerical simulation gain by try and error. In addition of the quantitative tensile force propagation along the geogrids, the footing settlements were visualized. Due to collaboration of three layers of geogrid reinforcements the bearing capacity of the reinforced soil tunnel was greatly improved. In such practical reinforced soil formations, the qualitative displacement propagations of soil particles in the soil tunnel and the quantitative vertical displacement propagations along the soil layers/geogrids represented the geogrid reinforcing impacts too.

Interaction of Forskolin with the Effect of $N^6-cyclopentyladenosine$ on Norepinephrine Release in Rat Hippocampus (흰쥐 해마에서 Norepinephrine 유리에 미치는 $N^6-cyclopentyladenosine$ 및 Forskolin의 영향)

  • Choi Bong-Kyu;Kim Do-Kyung;Son Yong;Yang Ue-Jong
    • The Korean Journal of Physiology and Pharmacology
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    • v.1 no.3
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    • pp.225-231
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    • 1997
  • As it has been reported that the depolarization-induced norepinephrine (NE) release is modulated by activation of presynaptic $A_1-adenosine$ heteroreceptor and various lines of evidence indicate the involvement of adenylate cyclase system in $A_1-adenosine$ post-receptor mechanism in hippocampus, it was attempted to delineate the role of adenylate cyclase system in the $A_1-receptor-mediated$ control of NE release in this study. Slices from rat hippocampus were equilibrated with $[^3H]-NE$ and the release of the labelled products was evoked by electrical stimulation.(3 Hz, $5Vcm^{-1}$, 2 ms, rectangular pulses). The influence of various agents on the evoked tritium-outflow was investigated. $N^6-Cyclopentyladenosine$ (CPA), a specific $A_1-adenosine$ receptor agonist, in concentrations Tanging from 0.1 to $10{\mu}M$ decreased the $[^3H]-NE$ release in a dose-dependent mauler without any change of basal rate of release. 8-Cyclopentyl-1,3-dipropylxanthine (DPCPX, $2{\mu}M$), a selective $A_1-receptor$ antagonist, inhibited the CPA effect. The responses to N-ethylmaleimide $(3&10{\mu}M)$, a SH-alkylating agent of G-protein, were characterized by increments of the evoked NE-release and the CPA effects were completely abolished by NEM pretreatment. Forskolin, a specific adenylate cyclase activator, in concentrations ranging from 0.1 to $30{\mu}M$ increased the evoked and basal rate of NE release in a dose-dependent manner and the CPA effects were inhibited by forskolin pretreatment. Rolipram $(1&10{\mu}M)$, a phosphodiesterase inhibitor, did not affect the evoked NE release but reduced the CPA effect. And 8-bromo-cAMP $(100&300{\mu}M)$, a membrane permeable cAMP analogue inhibited the CPA effect significantly. These results suggest that the $A_1-adenosine$ heteroreceptor plays an important role in NE-release via nucleotide-binding protein $G_i$ in the rat hippocampus and that the adenylate cyclase system might be participated in this process.

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An Investigation on the Tetrahydropyrimidine Derivatives as Acid Corrosion Inhibitors for Mild Steel

  • Chitra, S.;Gayathri, N.;Parameswari, K.
    • Corrosion Science and Technology
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    • v.8 no.2
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    • pp.45-52
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    • 2009
  • The corrosive behavior of mild steel in 0.05 M to 10 M $H_2SO_4$ solutions containing different concentrations of tetrahydropyrimidine derivatives (THPM) was investigated using weight loss method, gasometric technique, electrochemical studies which include AC - impedance and potentiodynamic polarization method, atomic absorption studies and synergistic effect. The results obtained reveal that THPM derivatives is an efficient mixed type inhibitor but slightly anodic and it is more effective in reducing corrosion of mild steel in $H_2SO_4$ media. The adsorption of the inhibitor on the mild steel surface obeys the Langmuir adsorption isotherm. The thermodynamic parameters of adsorption reveal a strong interaction and spontaneous adsorption of THPM on the mild steel surface. The influence of temperature and inhibitor concentration on the corrosion of mild steel has also been investigated.

Numerical Modeling for Auto-ignition and Combustion Process of Fuel Sprays in High-Pressure Environment (고압 분무 연소장에서 연료 분무의 자발화 및 연소 과정 해석)

  • Yu, Y.W.;Kang, S.M.;Kim, Y.M.
    • Journal of ILASS-Korea
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    • v.5 no.4
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    • pp.66-71
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    • 2000
  • The present study is mainly motivated to investigate the vaporization, auto-ignition and combustion processes in the high-pressure engine conditions. The high-pressure vaporization model is developed to realistically simulate the spray dynamics and vaporization characteristics in high-pressure and high-temperature environment. The interaction between chemistry and turbulence is treated by employing the Representative Interactive Flamelet (RIF) Model. The detailed chemistry of 114 elementary steps and 44 chemical species is adopted for the n-heptane/air reaction. In order to account for the spatial inhomogeneity of the scalar dissipation rate, the multiple RIFs are introduced. Numerical results indicate that the RIF approach together with the high-pressure vaporization model successfully predicts the ignition delay time and location as well as the essential features of a spray ignition and combustion processes.

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