• 제목/요약/키워드: Valence model

검색결과 122건 처리시간 0.023초

Synthesis and Characterization of the Mixed-valence $[Fe^{II}Fe^{III}BPLNP(OAc)_2](BPh_4)_2$ Complex As a Model for the Reduced Form of the Purple Acid Phosphatase

  • 이재승;;이호진;이강봉;허남회
    • Bulletin of the Korean Chemical Society
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    • 제21권10호
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    • pp.969-972
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    • 2000
  • [Fe II Fe III $BPLNP(OAc)_2](BPh_4)_2$ (1), a new model for the reduced form of the purple acid phosphatases, has been synthesized by using a dinucleating ligand, 2,6-bis[((2-pyridylmethyl)(6-methyl-2-pyridylmethyl)ami-no)methyl]-4-nitrophenol (HBPLNP) . Complex 1 has been studied by electronic spectral, NMR, EPR, SQUID, and electrochemical methods. Complex 1 exhibits two strong bands at 498 nm $(\varepsilon=$ 2.6 ${\times}10^3M-^1cm-^1)$ and 1363 nm $(\varepsilon=$ 5.7 ${\times}10^2M-^1cm-^1)$ in $CH_3CN.$ These are assigned to phenolate-to-FeIII and intervalence charge-transfer transitions, respectively. NMR spectrum of complex 1 exhibits sharp isotropically shifted resonances, which number is half of those expected for a valence-trapped species, indicating that electron transfer between FeⅡ and FeⅢ centers is faster than NMR time scale at room temperature. Complex 1 undergoes quasireversible one-electron redox processes. The $FeIII_2/FeIIFeIII$ and $FeIIFeIII/FeII_2$ redox couples are at 0.807 and 0.167 V ver-sus SCE, respectively. It has Kcomp = 5.9 ${\times}$10 1s(acetato) ligand combination sta-bilizes a mixed-valence FeIIFeIII complex in the air. Interestingly, complex 1 exhibits intense EPR signals at g = 8.56, 5.45, 4.30 corresponding to mononuclear high-spin FeⅢ species, which suggest a very weak magnetic coupling between the iron centers. Magnetic susceptibility study shows that there is a very weak antiferromag-netic coupling (J = $-0.78cm-^1$, H = $-2JS_1${\times}$S_2)$ between FeII and FeIII centers. Thus, we can suggest that complex 1 has a very weak antiferromagnetic coupling between the iron centers due to the electronic effect of the nitro group in the bridging phenolate ligand.

건강 기능성 게임의 확산을 위한 유통 전략 연구: 유효성과 안전성에 대한 사용자 인식을 중심으로 (Which is the More Important Factor for Users' Adopting the Serious Games for Health? Effectiveness or Safety)

  • 김용영
    • 산업융합연구
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    • 제21권9호
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    • pp.23-32
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    • 2023
  • 게임을 통해 건강을 증진할 수 있는 건강 기능성 게임(SGHs)에 대한 관심이 고조되고 있다. 디지털 치료제(DTx)는 유효성과 안전성을 확보한 치료제이기 때문에 전통적인 의약품 유통방식을 따라야 하지만, SGHs는 웰니스 제품으로 DTx에 비해 보급과 확산이 유연하다. 또한 SGHs는 일시적인 치료 효과가 아닌 지속적인 모니터링과 피드백을 통해 맞춤형 서비스를 제공할 수 있어 효과적이며, SGHs를 인지장애치료나 행동교정 등에 적용할 경우 오작동과 부작용이 경미하다. 본 연구는 SGHs의 지각된 혜택과 위험을 동시에 고려하는 밸런스 프레임워크(Valence Framework)를 기반으로 142명의 학부생을 대상으로 설문을 수집하여 지각된 혜택만이 SGHs 사용 의도에 통계적으로 유의한 정(+)의 영향을 준다는 점을 실증하였다. 이러한 결과를 바탕으로 일반 사용자를 대상으로 한 SGHs 수용에 있어 혜택(유효성)을 중심으로 홍보하고, 데이터 주도형 (data-driven) 접근방법의 중요성과 데이터 주도형 유통 및 분석 플랫폼 전략의 필요하다는 시사점을 제시하였다.

스마트 전시환경에서 순차적 인공신경망에 기반한 감정인식 모델 (Emotion Detection Model based on Sequential Neural Networks in Smart Exhibition Environment)

  • 정민규;최일영;김재경
    • 지능정보연구
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    • 제23권1호
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    • pp.109-126
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    • 2017
  • 최근 지능형 서비스를 제공하기 위해 감정을 인식하기 위한 많은 연구가 진행되고 있다. 특히, 전시 분야에서 관중에게 개인화된 서비스를 제공하기 위해 얼굴표정을 이용한 감정인식 연구가 수행되고 있다. 그러나 얼굴표정은 시간에 따라 변함에도 불구하고 기존연구는 특정시점의 얼굴표정 데이터를 이용한 문제점이 있다. 따라서 본 연구에서는 전시물을 관람하는 동안 관중의 얼굴표정의 변화로부터 감정을 인식하기 위한 예측 모델을 제안하였다. 이를 위하여 본 연구에서는 시계열 데이터를 이용하여 감정예측에 적합한 순차적 인공신경망 모델을 구축하였다. 제안된 모델의 유용성을 평가하기 위하여 일반적인 표준인공신경망 모델과 제안된 모델의 성능을 비교하였다. 시험결과 시계열성을 고려한 제안된 모델의 예측이 더 뛰어남으로 보였다.

러셀 모델의 확장을 통한 감정차원 모델링 방법 연구 (A Novel Method for Modeling Emotional Dimensions using Expansion of Russell's Model)

  • 한의환;차형태
    • 감성과학
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    • 제20권1호
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    • pp.75-82
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    • 2017
  • 본 논문에서는 Russell (1980)의 감정차원 모델(Circumplex Model)을 확장하여 새로운 감정차원 모델링 방식을 제안한다. 기존의 감정차원 중 가장 대표적인 Russell의 모델은 각성(Arousal), 정서가(Valence)의 2개의 축을 이용하여 감정을 나타낸다. 하지만 기존의 연구에서는 Russell의 감정차원은 감정을 하나의 점으로만 표현하기 때문에 정확한 위치라고 할 수 없으며 감성과학, HCI, Ergonomics 등의 공학 분야에서 사용하기 어렵다고 주장하였다. 따라서 본 논문에서는 Russell의 감정차원 위에 감정들을 하나의 점으로 표현하지 않고, 데이터 분포를 가정하여 영역으로 표현하는 방법을 제안한다. 실제 설문을 진행하여 자료를 수집하였고, 타원의 방정식을 이용하여 영역을 수식화하였다. 또한, 마지막 장에서 실제 많은 연구에서 사용되는 ANEW와 IAPS 데이터를 패턴인식 알고리즘을 통해 본 논문에서 제안한 모델에 적용해 보았다. 본 논문에서는 새로운 모델링 방법을 통해 기존의 연구자들에게 지적된 Russell 모델의 문제점을 보완하고, 이 모델을 공학 분야에서도 쉽게 적용할 수 있었다.

Binding energy study from photocurrent signal inphotoconductive a $ZnIn_2S_4$ thin films

  • Hong, Kwang-Joon
    • 한국전기전자재료학회:학술대회논문집
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    • 한국전기전자재료학회 2010년도 하계학술대회 논문집
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    • pp.380-380
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    • 2010
  • The chalcopyrite $ZnIn_2S_4$ epilayers were grown on the GaAs substrate by using a hot-wall epitaxy (HWE) method. The crystal field and the spin-orbit splitting energies for the valence band of the $ZnIn_2S_4$ have been estimated to be 0.1541 eV and 0.0129 eV, respectively, by means of the photocurrent spectra and the Hopfield quasicubic model. These results indicate that the splitting of the ${\Delta}so$ definitely exists in the $\Gamma_5$ states of the valence band of the $ZnIn_2S_4$/GaAs epilayer. The three photocurrent peaks observed at 10 K are ascribed to the $A_{1^-}$, $B_{1^-}$, and $C_1$-exciton peaks for n = 1. Also, we obtained the $A_{\infty^-}$ and B-exciton peaks from the PC spectrum at 293 K.

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Analysis of Intramolecular Electron Transfer in A Mixed-Valence Cu(Ⅰ)-Cu(Ⅱ) Complex Using the PKS Model

  • So Hyunsoo
    • Bulletin of the Korean Chemical Society
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    • 제13권4호
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    • pp.385-388
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    • 1992
  • The transition probabilities for the thermal intramolecular electron transfer and the optical intervalence transfer band for a symmetric mixed-valence Cu(I)-Cu(II) compound were used to extract the PKS parameters $\varepsilon$ = -1.15, ${\lambda}$ = 2.839, and ${\nu}g$- = 923 $cm^{-1}$. These parameters determine the potential energy surfaces and vibronic energy levels. Three pairs of vibrational levels are below the top of the energy barrier in the lower potential surface. The contribution of each vibrational state to the intramolecular electron transfer was calculated. It is shown that the three pairs of vibrational states below the top of the barrier are responsible for most of the electron transfer at 261-306 K. So the intramolecular electron transfer in this system is a tunneling process. The transition probability exhibits the usual high-temperature Arrhenius behavior, but at lower temperature falls off to a temperature-independent value as tunneling from the lowest levels becomes the limiting process.

Determining the Impact of Information Technology (IT) on Achieving competitive advantages in Third party logistics Companies (3PL): ISACO and SAIPALogistics

  • Javanmard, Habibollah;Ahmadi, Kourosh
    • 융합경영연구
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    • 제3권1호
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    • pp.1-22
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    • 2015
  • High growth and increasing traffic and transport finished vehicles, a significant impact on how organize the flow of parts to auto makers an dagencies have As a result, the automakers to improve its position as a highly responsive, with minimal costs, the out sourcing of their logistics processes. This paperis the result of field research to determine the effectiveness of the logistics industry in Iran and focuses on information technology deals the transport vehicle and parts sales deals, indicators used in the model include: IT focuses, IT Valence, IT Competency, IT Managerial Commitment, IT Resource Commitment and competitive advantage identified. Data collected by questionnaires from managers and experts have been towing companies ISACO and SAIPA trailer hypotheses using structural equation methods and software has been analyzed Amos, Results show, focusing on information technology now has significant impacts on logistics and transport. As a result the impact of, IT valence, IT competency and IT Managerial Commitment analytics to gain competitive advantage was not approved, but the rest of the factors were confirmed.

Identifying the Actual Impact of Online Social Interactions on Demand

  • Dong Soo Kim
    • Asia Marketing Journal
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    • 제26권1호
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    • pp.23-30
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    • 2024
  • Firms often engage in manipulating online reviews as a promotional activity to influence consumers' evaluation on their products. With the prevalence of the promotional activities, consumers may notice and discount the reviews generated by the promotional activities. Discounting the firm-generating reviews may cause systematic measurement errors in the valence variable and lead to a negative bias when estimating the effect of consumers' organic reviews on demand. To correct the bias, this study proposes including product-specific bias-correction terms representing the proportion of extreme reviews in analysis. For illustration, the proposed method is applied to a demand model for data of movies released in South Korea. The results confirm a negative bias in the estimate of the valence sensitivity of demand. The negative bias potentially leads to an underestimation of the magnitude of the contagion effect through social interactions, a key component of evaluating the value of a satisfied consumer.

Analysis of Transport Parameters in an Interacting Two-Band Model with Application to $p^{+}$-GaAs

  • Kim, B.W.;Majerfeld, A.
    • ETRI Journal
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    • 제17권3호
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    • pp.17-43
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    • 1995
  • We present a comprehensive derivation of the transport of holes involving an interacting two-valence-band system in terms of a generalized relaxation time approach. We sole a pair of semiclassical Boltzmann equations in a general way first, and then employ the conventional relaxation time concept to simplify the results. For polar optical phonon scattering, we develop a simple method th compensate for the inherent deficiencies in the relaxation time concept and apply it to calculate effective relaxation times separately for each band. Also, formulas for scattering rates and momentum relaxation times for the two-band model are presented for all the major scattering mechanisms for p-type GaAs for simple, practical mobility calculations. Finally, in the newly proposed theoretical frame-work, first-principles calculations for the Hall mobility and Hall factor of p-type GaAs at room temperature are carried out with no adjustable parameters in order to obtain a direct comparison between the theory and recent available experimental results, which would stimulate further analysis toward better understanding of the complex transport properties of the valence band. The calculated Hall mobilities show a general agreement with our experimental data for carbon doped p-GaAs samples in a range of degenerate hole densities. The calculated Hall factors show $r_H$=1.25~1.75 over all hole densities($2{\times}10^{17}{\sim}1{\times}10^{20}cm^{-3}$ considered in the calculations.

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Normal Mode Studies for Solids HF, HCl and Polyethylene According to the Pseudolattice Method

  • Chang, Man-Chai;John, Mu-Shik
    • Bulletin of the Korean Chemical Society
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    • 제6권2호
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    • pp.68-73
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    • 1985
  • Normal modes of solids HF, HCl and polyethylene having the exciting spectrometric phenomena have been evaluated by taking the lowest temperature phase of these species in the solid. The solids HF and HCl have the same space group as C$_{2}{\nu}$, and polyethylene has a space group with D$_{2h}$. The normal modes were obtained by the valence force field with modified force constants and a quantitative description of the normal mode is adjusted by the potential energy distribution (PED). From the PED, the most fittable force constants are also obtained. We have intended to calculate the normal modes by using the smallest size of the model and the simple computational process. To remove the edge effects being occurred in constructing the single cluster model, different from the boundary condition being generally used up to now, the idea of pseudolattice method being successfully applied to MO calculations of solid was extended to normal mode analysis in order to give the same environment for all moecules in a chosen cluster. By using the above valence force field and boundary condition, we obtain the assigned frequencies and compare those results with the results obtained by others.