• 제목/요약/키워드: RCP Interaction

검색결과 19건 처리시간 0.02초

기구학적 운동이 돼지 무릎 관절연골의 마찰계수 변화에 미치는 영향 (Effect of Kinematic Motion on Changes in Coefficients of Friction of Porcine Knee Joint Cartilage)

  • 김환;김충연;이권용;김대준;임도형
    • Tribology and Lubricants
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    • 제29권1호
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    • pp.46-50
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    • 2013
  • In this study, the frictional behaviors of articular cartilage against a Co-Cr alloy in two types of kinematic motions were compared. Cartilage pins were punched from the femoral condyles of porcine knee joints, and Co-Cr alloy disks were machined from orthopedic-grade rods and polished to a surface roughness ($R_a$) of 0.002. Friction tests were conducted by using a pin-on-disk-type tribotester in phosphate buffered saline (PBS) under pressures of 0.5, 1, and 2 MPa. All tests were performed in the repeat pass rotational (ROT) and the linear reciprocal (RCP) sliding motions with the same sliding distance and speed of 50 mm/s. The coefficients of friction of the cartilage against the Co-Cr alloy increased with the sliding time in both kinematic motions for all contact pressures. The maximum coefficients of friction in RCP motion were 1.08, 2.82, and 1.96 times those in ROT motion for contact pressures of 0.5, 1, and 2 MPa, respectively. As the contact pressure increased, the coefficients of friction gradually increased in RCP motion, whereas they decrease and then increased in ROT motion. The interaction between the directional change of the shear stress and the orientation of collagen fiber in the superficial layer of the cartilage could affect the change in the frictional behaviors of the cartilage. A large difference in the coefficients of friction between the two kinematic motions could be interpreted as differences in the directional change of shear stress at the contact surface.

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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    • 제31권8호
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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.

Photo-induced inter-protein interaction changes in the time domain; a blue light sensor protein PixD

  • Terazima, Masahide
    • Rapid Communication in Photoscience
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    • 제4권1호
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    • pp.1-8
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    • 2015
  • For understanding molecular mechanisms of photochemical reactions, in particular reactions of proteins with biological functions, it is important to elucidate both the initial reactions from the photoexcited states and the series of subsequent chemical reactions, e.g., conformation, intermolecular interactions (hydrogen bonding, hydrophobic interactions), and inter-protein interactions (oligomer formation, dissociation reactions). Although time-resolved detection of such dynamics is essential, these dynamics have been very difficult to track by traditional spectroscopic techniques. Here, relatively new approaches for probing the dynamics of protein photochemical reactions using time-resolved transient grating (TG) are reviewed. By using this method, a variety of spectrally silent dynamics can be detected and such data provide a valuable description about the reaction scheme. Herein, a blue light sensor protein TePixD is the exemplar. The initial photochemistry for TePixD occurs around the chromophore and is detected readily by light absorption, but subsequent reactions are spectrally silent. The TG experiments revealed conformational changes and changes in inter-protein interactions, which are essential for TePixD function. The TG experiments also showed the importance of fluctuations of the intermediates as the driving force of the reaction. This technique is complementary to optical absorption detection methods. The TG signal contains a variety of unique information, which is difficult to obtain by other methods. The advantages and methods for signal analyses are described in detail in this review.

Preparation of fluorescent nucleic acids generating unique emission by primer extension reaction using pyrene-labeled deoxyuridine triphosphate derivatives

  • Takada, Tadao;Tanimizu, Yosuke;Nakamura, Mitsunobu;Yamana, Kazushige
    • Rapid Communication in Photoscience
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    • 제3권4호
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    • pp.76-78
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    • 2014
  • Fluorescent nucleic acids were prepared utilizing the polymerase extension (PEX) reaction to incorporate fluorescent molecules. 2'-Deoxyuridine triphosphate (dUTP) derivatives possessing pyrene molecules as fluorophores were synthesized using the aqueous-phase Sonogashira coupling between 5-Iodo-dUTP and acetylene-linked pyrene molecules. The incorporation of the pyrene (Py)-labeled deoxyuridine triphosphates (PyU) into DNA by polymerase was evaluated by polyacrylamide gel electrophoresis, demonstrating that the PyU can work as a good substrate for the PEX reaction. The fluorescent properties of the functionalized DNA prepared by the PEX reaction were characterized by steady-state fluorescence measurements. The Py-conjugated DNA showed typical emission spectra of the pyrene, and the DNA with two pyrene molecules connected to each other by a diethylene glycol linker exhibited a broadened emission attributed to the electronic interaction between the Py molecules.

학령기 아동의 자기보호와 부모감독에 따른 또래관계 및 인지적 자기능력 지각 (The Effects of Self-care and Parental Monitoring on Peer Relations and Perceived Cognitive Self-Competence of School Age Children)

  • 천희영;옥경희;김미해
    • 대한가정학회지
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    • 제39권10호
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    • pp.153-168
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    • 2001
  • The objects of this study were to find out the effects of peer relations and perceived cognitive self-competence according to 1) grade, sex, and self-care, 2) parental social status and monitoring. 429 3rd- and 6th-graders (238 boys and 191 girls) were included as subjects. For measuring variables, RCP, Harter's Perceived Cognitive Self-Competence Rating Scale, and Parental Monitoring Questionnaire based on Crouter et al.(1990) were used. The data were analysed by MANOVA, t-test, and univariate ANOVA. The results were as follows.‘Social-Leadership’of peer relations was influenced by children's grade, grade $\times$ sex effects. 3-way interaction of children's variables and parental monitoring made significant differences in ‘Shy-Isolation’. Children's perceived cognitive self-competence was influenced by their grade and parent's social status. These results confirmed the significant roles of self-care and parental monitoring in children's development.

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Visible light-induced reduction of Cr(VI) in cationic micelle solution

  • Kyung, Hyunsook;Cho, Young-Jin;Choi, Wonyong
    • Rapid Communication in Photoscience
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    • 제4권3호
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    • pp.73-75
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    • 2015
  • Cr(VI) reduction was successfully achieved in the presence of cationic micelles (CMs) under visible light illumination. Micelle formation of cationic surfactants seems to be critical in Cr(VI) reduction. Cr(VI) was reduced very fast above the critical micelle concentration (cmc) of CTAB solutions, but was not reduced at all either below or around the cmc of CTAB. The reduction rate of Cr(VI) was enhanced in the absence of dissolved oxygen, supporting that the removal of Cr(VI) should be achieved via a reductive pathway. When CTAB was substituted by Brij 35 or SDS, the reduction of Cr(VI) was negligible. This indicates that the electrostatic interaction between Cr(VI) and headgroups of surfactants is important in the visible light-induced Cr(VI) reduction in micellar solutions.

Photochemical Property and Photodynamic Activity of Tetrakis(2-naphthyl) Porphyrin Phosphorus(V) Complex

  • Hirakawa, Kazutaka;Aoki, Shunsuke;Ueda, Hiroyuki;Ouyang, Dongyan;Okazaki, Shigetoshi
    • Rapid Communication in Photoscience
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    • 제4권2호
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    • pp.37-40
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    • 2015
  • To examine the photosensitized biomolecules damaging activity, dimethoxyP(V)tetrakis(2-naphthyl)porphyrin (NP) and dimethoxyP(V)tetraphenylporphyrin (PP) were synthesized. The naphthyl moiety of NP hardly deactivated the photoexcited P(V)porphyrin ring in ethanol. In aqueous solution, the naphthyl moiety showed the quenching effect on the photoexcited porphyrin ring, possibly through electron transfer and self-quenching by a molecular association. Binding interaction between human serum albumin (HSA), a water soluble protein, and these porphyrins could be confirmed by the absorption spectral change. The apparent association constant of NP was larger than that of PP. It is explained by that more hydrophobic NP can easily bind into the hydrophobic pockets of HSA. The photoexcited PP effectively induced damage of the tryptophan residue of HSA, through electron transfer-mediated oxidation and singlet oxygen generation. NP also induced HSA damage during photo-irradiation and the contributions of the electron transfer and singlet oxygen mechanisms were speculated. The electron transfer-mediated mechanism to the photosensitized protein damage should be advantageous for photodynamic therapy in hypoxic condition. The quantum yield of the HSA photodamage by PP was significantly larger than that of NP. The quenching effect of the naphthyl moiety is considered to suppress the photosensitized protein damage. In conclusion, the naphthalene substitution to the P(V)porphyrins can enhance the binding interaction with hydrophobic biomacromolecules such as protein, however, this substitution may reduce the photodynamic effect of P(V)porphyrin ring in aqueous media.

Fluorescence Behavior Associated with a Possible Intercolumnar Charge-transfer Interaction in the Crystalline State of a Dyad Consisting of Mesitylene and 1,4-Dicyano-2-methylnaphthalene Subunits

  • Ohta, Eisuke;Kobayashi, Hitoshi;Sakai, Atsushi;Matsui, Yasunori;Sato, Hiroyasu;Ikeda, Hiroshi
    • Rapid Communication in Photoscience
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    • 제4권2호
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    • pp.31-33
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    • 2015
  • Fluorescence (FL) properties of a novel donor-acceptor dyad, comprised of mesitylene and 1,4-dicyano-2-methylnaphthalene (DCMN) subunits connected by an ether linkage, were elucidated. The dyad in cyclohexane exhibits FL arising from an intramolecular exciplex. In the crystalline state, the dyad does not emit light from intra- and inter-molecular exciplexes but rather displays FL that is nearly equivalent to that of 2-methoxymethyl-substituted DCMN. However, the emission spectrum of the crystalline dyad contains a shoulder in the long wavelength region, suggesting that weak intercolumnar charge-transfer interactions take place between columns consisting of the mesitylene and DCMN subunits.

Development of an Emissions Processing System for Climate Scenario Inventories to Support Global and Asian Air Quality Modeling Studies

  • Choi, Ki-Chul;Lee, Jae-Bum;Woo, Jung-Hun;Hong, Sung-Chul;Park, Rokjin J.;Kim, Minjoong J.;Song, Chang-Keun;Chang, Lim-Seok
    • Asian Journal of Atmospheric Environment
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    • 제11권4호
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    • pp.330-343
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    • 2017
  • Climate change is an important issue, with many researches examining not only future climatic conditions, but also the interaction of climate and air quality. In this study, a new version of the emissions processing software tool - Python-based PRocessing Operator for Climate and Emission Scenarios (PROCES) - was developed to support climate and atmospheric chemistry modeling studies. PROCES was designed to cover global and regional scale modeling domains, which correspond to GEOS-Chem and CMAQ/CAMx models, respectively. This tool comprises of one main system and two units of external software. One of the external software units for this processing system was developed using the GIS commercial program, which was used to create spatial allocation profiles as an auxiliary database. The SMOKE-Asia emissions modeling system was linked to the main system as an external software, to create model-ready emissions for regional scale air quality modeling. The main system was coded in Python version 2.7, which includes several functions allowing general emissions processing steps, such as emissions interpolation, spatial allocation and chemical speciation, to create model-ready emissions and auxiliary inputs of SMOKE-Asia, as well as user-friendly functions related to emissions analysis, such as verification and visualization. Due to its flexible software architecture, PROCES can be applied to any pregridded emission data, as well as regional inventories. The application results of our new tool for global and regional (East Asia) scale modeling domain under RCP scenario for the years 1995-2006, 2015-2025, and 2040-2055 was quantitatively in good agreement with the reference data of RCPs.