• Title/Summary/Keyword: degree bound

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Structural Requirements for Modulating 4-Benzylpiperidine Carboxamides from Serotonin/Norepinephrine Reuptake Inhibitors to Triple Reuptake Inhibitors

  • Paudel, Suresh;Kim, Eunae;Zhu, Anlin;Acharya, Srijan;Min, Xiao;Cheon, Seung Hoon;Kim, Kyeong-Man
    • Biomolecules & Therapeutics
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    • v.29 no.4
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    • pp.392-398
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    • 2021
  • In this study, we determined the effect of 24 different synthetic 4-benzylpiperidine carboxamides on the reuptake of serotonin, norepinephrine, and dopamine (DA), and characterized their structure-activity relationship. The compounds with a two-carbon linker inhibited DA reuptake with much higher potency than those with a three-carbon linker. Among the aromatic ring substituents, biphenyl and diphenyl groups played a critical role in determining the selectivity of the 4-benzylpiperidine carboxamides toward the serotonin transporter (SERT) and dopamine transporter (DAT), respectively. Compounds with a 2-naphthyl ring were found to exhibit a higher degree of inhibition on the norepinephrine transporter (NET) and SERT than those with a 1-naphthyl ring. A docking simulation using a triple reuptake inhibitor 8k and a serotonin/norepinephrine reuptake inhibitor 7j showed that the regions spanning transmembrane domain (TM)1, TM3, and TM6 form the ligand binding pocket. The compound 8k bound tightly to the binding pocket of all three monoamine reuptake transporters; however, 7j showed poor docking with DAT. Co-expression of DAT with the dopamine D2 receptor (D2R) significantly inhibited DA-induced endocytosis of D2R probably by reuptaking DA into the cells. Pretreatment of the cells with 8f, which is one of the compounds with good inhibitory activity on DAT, blocked DAT-induced inhibition of D2R endocytosis. In summary, this study identified critical structural features contributing to the selectivity of a molecule for each of the monoamine transporters, critical residues on the compounds that bound to the transporters, and the functional role of a DA reuptake inhibitor in regulating D2R function.

Synthesis, ESR and Electrochemical Characterization of Dioxygen Binding to Dirhodium Complexes with 2-anilinopyridinato Bridging Ligand (2-아닐리노 피리딘을 배위자로 하는 이핵 로듐착물의 두 산소첨가 생성물에 대한 합성 및 전기화학적 성질)

  • Kwang Ha Park;Moo Jin Jun;John. L. Bear
    • Journal of the Korean Chemical Society
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    • v.33 no.6
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    • pp.633-643
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    • 1989
  • The R$Rh_2(ap)_4$(2,2-trans) isomer (ap = 2-anilinopyridinate), which has two anilino nitrogens and two pyridyl nitrogens bound to each rhodium ion trans to their own kind, shows activation towards the one electron reduction of dioxygen at -0.40 V vs SCE. The ESR spectrum taken at 123 K proves the formation of a $[Rh_2(ap)_4(O_2)]$ ion with oxygen axially bound to one rhodium ion and the complex is at a RhⅡ2 oxidation state. The complex will form [$Rh_2(ap)_4(O_2)(CH_3CN)]^-$ in presence of $CH_3CN/CH_2Cl_2$ mixture without breaking the Rh-$O_2^-$ bond. When oxidized at -0.25 and 0.55 V, $[Rh_2(ap)_4(O_2)]$ will undergo two one electron oxidations to form $Rh_2(ap)_4(O_2)[Rh_2(ap)_4(O_2)]^+$. Both species have an axially bound superoxide ion but the former is at $Rh^{II}Rh^{III }$and the later at $Rh^{III}_2$ oxidation states. The ESR spetra and $CH_3CN$ addition study, on the other hand, show that the later complex is better described as $[Rh_{II}Rh^{III}(ap)_4(O_2)]^+$ with the odd electron localized on rhodium ion and the complex has an axially coordinated molecular oxygen. The electrochemical and ESR studies also show that the degree of dioxygen activation is a function of electrochemical redox potential.

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Defect Length Measurement using Underwater Camera and A Laser Slit Beam

  • Kim, Young-Hwan;Yoon, Ji-Sup
    • 제어로봇시스템학회:학술대회논문집
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    • 2003.10a
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    • pp.746-751
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    • 2003
  • A method of measuring the length of defects on the wall of the spent nuclear fuel pool using the image processing and a laser slit beam is proposed. Since the defect monitoring camera is suspended by a crane and hinged to the crane hook, the camera viewing direction can not be adjusted to the orientation that is exactly perpendicular to the wall. Thus, the image taken by the camera, which is horizontally rotated along the axis of the camera supporting beam, is distorted and thus, the precise length can not be measured. In this paper, by using the LASER slit beam generator, the horizontally rotated angle of the camera is estimated. Once the angle is obtained, the distorted image can be easily reconstructed to the image normal to the wall. The estimation algorithm adopts a 3-dimensional coordinate transformation of the image plane where both the laser slit beam and the original image of the defects exist. The estimation equation is obtained by using the information of the beam projected on the wall and the parameters of this equation are experimentally obtained. With this algorithm, the original image of the defect taken at arbitrary rotated angle can be reconstructed to an image normal to the wall. From the result of a series of experiments, the accuracy of the defect is measured within 0.6 and 1.3 % error bound of real defect size in the air and underwater, respectively under 30 degree of the inclined angle of the laser slit beam generator. Also, the error increases as the inclined angle increases upto 60 degree. Over this angle, the defect length can not be measured since the defect image disappears. The proposed algorithm enables the accurate measurement of the defect length only by using a single camera and a laser slit beam.

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Face detection system for the degree of concentration checking and analysis of learning attitude of learners in online learning (온라인 학습에서 학습자 학습태도 분석 및 집중도 체크를 위한 얼굴 검출 시스템)

  • Kim, Geun-Ho;Chung, Jung-In;Kim, Eui-Jeong
    • Proceedings of the Korean Institute of Information and Commucation Sciences Conference
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    • 2016.05a
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    • pp.420-424
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    • 2016
  • Recently, with the development of Internet technology and multi-media technology, the Internet is going to develop in many areas, a new application areas. In particular, in the area of education, has made a Epoch-making development in the Internet applications, it has presented the instructional methods of the new paradigm. Study using the online learning, instructional method of a conventional traditional new proposal that deviates from the off-line teaching, Unlike the existing off-line learning, without being bound by time and space, in terms of anytime, anywhere it is possible to attend the lecture, is a very efficient learning. Online lectures Despite many advantages, and containing a number of problems. In terms of space of the learning is performed on-line, there is a disadvantage that the student management and learning, the reliability of evaluation missing number. In this study, out of such a variety of problems, concentration to induce an active learning attitude of learners, learners of learning who attempt to increase the reliability and using the face detection system of attendance learning It proposed a degree system.

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Vibrations of Complete Paraboloidal Shells with Variable Thickness form a Three-Dimensional Theory

  • Chang, Kyong-Ho;Shim, Hyun-Ju;Kang, Jae-Hoon
    • Journal of Korean Association for Spatial Structures
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    • v.4 no.4 s.14
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    • pp.113-128
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    • 2004
  • A three-dimensional (3-D) method of analysis is presented for determining the free vibration frequencies and mode shapes of solid paraboloidal and complete (that is, without a top opening) paraboloidal shells of revolution with variable wall thickness. Unlike conventional shell theories, which are mathematically two-dimensional (2-D), the present method is based upon the 3-D dynamic equations of elasticity. The ends of the shell may be free or may be subjected to any degree of constraint. Displacement components $u_r,\;u_{\theta},\;and\;u_z$ in the radial, circumferential, and axial directions, respectively, are taken to be sinusoidal in time, periodic in ${\theta}$, and algebraic polynomials in the r and z directions. Potential (strain) and kinetic energies of the paraboloidal shells of revolution are formulated, and the Ritz method is used to solve the eigenvalue problem, thus yielding upper bound values of the frequencies by minimizing the frequencies. As the degree of the polynomials is increased, frequencies converge to the exact values. Convergence to four digit exactitude is demonstrated for the first five frequencies of the complete, shallow and deep paraboloidal shells of revolution with variable thickness. Numerical results are presented for a variety of paraboloidal shells having uniform or variable thickness, and being either shallow or deep. Frequencies for five solid paraboloids of different depth are also given. Comparisons are made between the frequencies from the present 3-D Ritz method and a 2-D thin shell theory.

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Physical Properties of Freeze-Dried Powder of Aloe Vera Gel with Respect to the Concentrating Degree as Pre-Treatment (전처리 농축 정도에 따른 Aloe Vera gel의 동결건조분말의 물성)

  • Lee, Nam-Jae;Lee, Seung-Ju
    • Korean Journal of Food Science and Technology
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    • v.41 no.1
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    • pp.32-36
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    • 2009
  • The physical properties of freeze-dried Aloe vera gel powders were examined according to the influence of the concentration degrees of the gel solutions as raw materials during freeze-drying. As a pre-treatment prior to freeze-drying, the gel solutions were vacuum-concentrated at three concentration levels (g water/g solids): high (H), 76; medium (M), 119; and low (L), 159. The water contents of the three powder samples were almost the same. For their viscosity measurements, non-Newtonian fluid behavior with shear thinning was observed in samples H and M, whereas Newtonian liquid behavior was found in sample L. In electrical conductivity measurements, sample H showed the highest conductivity upon dissolving the powder in water. For their water sorption isotherms, sample H was analyzed to have the least amount of bound water. Finally, it was determined that the degree of concentration caused only slight differences in the physical properties of freeze-dried Aloe gel powders.

Defects Length Measurement using an Estimation Algorithm of the Camera Orientation and an Inclination Angle of a Laser Slit Beam

  • Kim, Young-Hwan;Yoon, Ji-Sup;Kang, E-Sok
    • 제어로봇시스템학회:학술대회논문집
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    • 2004.08a
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    • pp.1452-1457
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    • 2004
  • In this paper, a method of measuring the length of defects on the wall and restructuring the defect image is proposed based on the estimation algorithm of a camera orientation which uses the declination angle of a laser slit beam. The estimation algorithm of the horizontally inclined angle of CCD camera adopts a 3-dimensional coordinate transformation of the image plane where both the laser beam and the original image of the defects exist. The estimation equation is obtained by using the information of the beam projected on the wall and the parameters of this equation are experimentally obtained. With this algorithm, the original image of the defect can be reconstructed to an image normal to the wall. From the result of a series of experiments, the measuring accuracy of the defect is measured within 0.5% error bound of real defect size under 30 degree of the horizontally inclined angle. The proposed algorithm provides the method of reconstructing the image taken at any arbitrary horizontally inclined angle to the image normal to the wall and thus, it enables the accurate measurement of the defect lengths only by using a single camera and a laser slit beam.

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B-spline Curve Approximation Based on Adaptive Selection of Dominant Points (특징점들의 적응적 선택에 근거한 B-spline 곡선근사)

  • Lee J.H.;Park H.J.
    • Korean Journal of Computational Design and Engineering
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    • v.11 no.1
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    • pp.1-10
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    • 2006
  • This paper addresses B-spline curve approximation of a set of ordered points to a specified toterance. The important issue in this problem is to reduce the number of control points while keeping the desired accuracy in the resulting B-spline curve. In this paper we propose a new method for error-bounded B-spline curve approximation based on adaptive selection of dominant points. The method first selects from the given points initial dominant points that govern the overall shape of the point set. It then computes a knot vector using the dominant points and performs B-spline curve fitting to all the given points. If the fitted B-spline curve cannot approximate the points within the tolerance, the method selects more points as dominant points and repeats the curve fitting process. The knots are determined in each step by averaging the parameters of the dominant points. The resulting curve is a piecewise B-spline curve of order (degree+1) p with $C^{(p-2)}$ continuity at each knot. The shape index of a point set is introduced to facilitate the dominant point selection during the iterative curve fitting process. Compared with previous methods for error-bounded B-spline curve approximation, the proposed method requires much less control points to approximate the given point set with the desired shape fidelity. Some experimental results demonstrate its usefulness and quality.

Antioxidant Activity of Flavonoids in Plant Origin Food (식물성 식품에 존재하는 Flavonoids의 항산화 활성)

  • 김건희;최미희
    • Food Science and Preservation
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    • v.6 no.1
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    • pp.121-135
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    • 1999
  • Effective synthetic antioxidants such as butylated hydroxyanisole(BHA) and butylated hydroxytoluene(BHT) have been widely used in the food industry, but they are suspected to be toxic and carcinogenic effects. Therefore, the development of safely available natural antioxidants such as ascorbic acid, ${\alpha}$-tocopherol, ${\beta}$-carotene, flavonoids and selenium is essential. In particular, flavonoids, 2-phenyl-benzo-${\alpha}$-pyrones, are polyphenolic compounds that occur ubiquitously in food of plant origin. flavonoids occur in foods generally as O-glycosides with sugars bound usually at the C\ulcorner position. And variations in their heterocyclic ring gibes rise to flavones, flavonols, flavanones, flavanols, catechins, anthocyanidins, chalcone and isoflavones. Vegetables, fruits, and beverages are the main dietary sources of the flavonols, primarily as quercetin, kaempferol, and myricetin and the corresponding flavones, apigenin and luteolin. These flavonoids have biological activity such as antioxidant, anti-inflammatory, antithrombotic, antimutagenic, anticarcimogenic antiallergic and antimicrobial activity effects in vitro and in vivo. Flavonoids posses strong antioxidant activities acting as oxygen radicals scavenger, metal chelators and enzyme inhibitor. The antioxidant activity of flavonoids is determined by their molecular structure and more specially, by the position and degree of hydroxylation of the ring structure. All flavonoids with the 3`, 4`-dihydroxy(ortho-dihydroxy) posses marked antioxidant activity. And antioxidant activity increases with the number of hydroxyl groups substituted on the A-and B-rings. There is as yet no certainty about the effect of the presence of a double bond between C\ulcorner and C\ulcorner on the antioxidant activity of flavonoids.

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A Monoclonal Antibody That Specifically Binds Chitosan In Vitro and In Situ on Fungal Cell Walls

  • Schubert, Max;Agdour, Siham;Fischer, Rainer;Olbrich, Yvonne;Schinkel, Helga;Schillberg, Stefan
    • Journal of Microbiology and Biotechnology
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    • v.20 no.8
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    • pp.1179-1184
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    • 2010
  • We report the generation of the first monoclonal antibody that specifically binds to the polysaccharide chitosan. Mice were immunized with a mixture of chitosans, and hybridoma clones were screened for specific binders, resulting in the isolation of a single clone secreting a chitosan-specific IgM, mAbG7. In ELISAs, the antibody could bind to chitosans of varying composition, but demonstrated the highest affinity for chitosans with lower degrees of acetylation (DA) and very poor binding to chitin. We tested the ability of the antibody to bind to chitosan in situ, using preparations of fungal cell walls. Immunofluorescence microscopy confirmed that the antibody bound strongly to the cell walls of fungi with high levels of chitosan, whereas poor staining was observed in those species with cell walls of predominantly chitin or cellulose. The potential use of this antibody for the detection of fungal contamination and the protection of plants against fungal pathogens is discussed.