• Title/Summary/Keyword: Valence model

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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

  • Lee, Jae Seung;Jung, Dong J.;Lee, Ho Jin;Lee, Gang Bong;Heo, Nam Hoe;Jang, Ho G.
    • Bulletin of the Korean Chemical Society
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    • v.21 no.10
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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.

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

  • Yong-Young Kim
    • Journal of Industrial Convergence
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    • v.21 no.9
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    • pp.23-32
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    • 2023
  • Interest in Serious Games for Healthcare (SGHs) that can improve health through games is increasing. Digital Therapeutics (DTx) is a treatment that must be approved for effectiveness and safety, so it should follow the traditional drug distribution method, but SGHs are wellness products that are more flexible in terms of adoption and diffusion than DTx. SGHs are effective because it can provide customized services through continuous monitoring and feedback. When SGHs are applied to cognitive impairment treatment or behavioral correction, malfunctions and side effects are minor. This study developed research model based on the Valence Framework, gathered data from 142 undergraduates, and demonstrated that only the perceived benefits have a statistically significant positive (+) effect on SGHs acceptance intentions. Based on these results, this study suggests that SGHs companies should promote benefits in accepting SGHs for general users and they need for a distribution and analytics platform strategy based on a data-driven approach.

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

  • Jung, Min Kyu;Choi, Il Young;Kim, Jae Kyeong
    • Journal of Intelligence and Information Systems
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    • v.23 no.1
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    • pp.109-126
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    • 2017
  • In the various kinds of intelligent services, many studies for detecting emotion are in progress. Particularly, studies on emotion recognition at the particular time have been conducted in order to provide personalized experiences to the audience in the field of exhibition though facial expressions change as time passes. So, the aim of this paper is to build a model to predict the audience's emotion from the changes of facial expressions while watching an exhibit. The proposed model is based on both sequential neural network and the Valence-Arousal model. To validate the usefulness of the proposed model, we performed an experiment to compare the proposed model with the standard neural-network-based model to compare their performance. The results confirmed that the proposed model considering time sequence had better prediction accuracy.

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

  • Han, Eui-Hwan;Cha, Hyung-Tai
    • Science of Emotion and Sensibility
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    • v.20 no.1
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    • pp.75-82
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    • 2017
  • We propose a novel method for modeling emotional dimensions using expansion of Russell's (1980) emotional dimensions (Circumplex Model). The Circumplex Model represents emotional words in two axes (Arousal, Valence). However, other researchers have insisted that location of word in Russell's model which is expressed by single point could not represent exact position. Consequently, it is difficult to apply this model in engineering fields (such as Science of Emotion & Sensibility, Human-Computer-Interaction, Ergonomics, etc.). Therefore, we propose a new modeling method which expresses emotional word not as a single point but as a region. We conducted survey to obtain actual data and derived equations using ellipse formula to represent emotional region. Furthermore, we applied ANEW and IAPS which are commonly used in many studies to our emotional model using pattern recognition algorithm. Using our method, we could solve problems with Russell's model and our model is easily applicable to the field of engineering.

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

  • Hong, Kwang-Joon
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2010.06a
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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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    • v.13 no.4
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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
    • The Journal of Economics, Marketing and Management
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    • v.3 no.1
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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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    • v.26 no.1
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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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    • v.17 no.3
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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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    • v.6 no.2
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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.