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Vibrational Relaxation and Bond Dissociation in Methylpyrazine on Collision with N2 and O2

  • Young-Jin Yu;Sang Kwon Lee;Jongbaik Ree
    • Journal of the Korean Chemical Society
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    • v.67 no.6
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    • pp.407-414
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    • 2023
  • The present study uses quasi-classical trajectory procedures to examine the vibrational relaxation and dissociation of the methyl and ring C-H bonds in excited methylpyrazine (MP) during collision with either N2 or O2. The energy-loss (-ΔE) of the excited MP is calculated as the total vibrational energy (ET) of MP is increased in the range of 5,000 to 40,000cm-1. The results indicate that the collision-induced vibrational relaxation of MP is not large, increasing gradually with increasing ET between 5,000 and 30,000 cm-1, but then decreasing with the further increase in ET. In both N2 and O2 collisions, the vibrational relaxation of MP occurs mainly via the vibration-to-translation (V→T) and vibration-to-vibration (V→V) energy transfer pathways, while the vibration-to-rotation (V→R) energy transfer pathway is negligible. In both collision systems, the V→T transfer shows a similar pattern and amount of energy loss in the ET range of 5,000 to 40,000cm-1, whereas the pattern and amount of energy transfer via the V→V pathway differs significantly between two collision systems. The collision-induced dissociation of the C-Hmethyl or C-Hring bond occurs when highly excited MP (65,000-72,000 cm-1) interacts with the ground-state N2 or O2. Here, the dissociation probability is low (10-4-10-1), but increases exponentially with increasing vibrational excitation. This can be interpreted as the intermolecular interaction below ET = 71,000 cm-1. By contrast, the bond dissociation above ET = 71,000 cm-1 is due to the intramolecular energy flow between the excited C-H bonds. The probability of C-Hmethyl dissociation is higher than that of C-Hring dissociation.

Optimization-based Image Watermarking Algorithm Using a Maximum-Likelihood Decoding Scheme in the Complex Wavelet Domain

  • Liu, Jinhua;Rao, Yunbo
    • KSII Transactions on Internet and Information Systems (TIIS)
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    • v.13 no.1
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    • pp.452-472
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    • 2019
  • Most existing wavelet-based multiplicative watermarking methods are affected by geometric attacks to a certain extent. A serious limitation of wavelet-based multiplicative watermarking is its sensitivity to rotation, scaling, and translation. In this study, we propose an image watermarking method by using dual-tree complex wavelet transform with a multi-objective optimization approach. We embed the watermark information into an image region with a high entropy value via a multiplicative strategy. The major contribution of this work is that the trade-off between imperceptibility and robustness is simply solved by using the multi-objective optimization approach, which applies the watermark error probability and an image quality metric to establish a multi-objective optimization function. In this manner, the optimal embedding factor obtained by solving the multi-objective function effectively controls watermark strength. For watermark decoding, we adopt a maximum likelihood decision criterion. Finally, we evaluate the performance of the proposed method by conducting simulations on benchmark test images. Experiment results demonstrate the imperceptibility of the proposed method and its robustness against various attacks, including additive white Gaussian noise, JPEG compression, scaling, rotation, and combined attacks.

How does stereology help to inform translation from neuroscience to OT? (입체해석학을 통해 신경과학의 정보를 작업치료학에 어떻게 전달할수 있을까?)

  • Park, Ji-Hyuk;Lee, Joo-Hyun;Park, Jin-Hyuck
    • Therapeutic Science for Rehabilitation
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    • v.3 no.2
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    • pp.5-48
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    • 2014
  • Introduction : One of the important domains in OT is performance skills which include sensory perceptual skills, motor and praxis skills, emotional regulation skills, cognitive skills, and communication/social skills. All of these skills are support ed by integrated neurological processes. Body : Stereology robust tool when employed to investigate morphological changes in neurons, cortex area, and specific parts of brain involved in special brain function. Stereology is an interdisciplinary field focused or analyzing biological tissue with the three-dimensional interpretation of planer sections by using estimating method and mathematically unbiased sampling. With the unbiased stereological method based on probability theory, researchers can estimate morphological and anatomical changes in biological reference areas accurately and efficiently. Changes in anatomical and cytoarchitectural parameters, such as volume, number, and length, affect specific brain function related to the brain area. Occupational therapists provide treatment to improve functions for participation of occupation in neurological disorder. The functional improvements in neurological disorder reflect neurobiological changes because functional difficulties, such as motor cognitive disorder, are due to neurological disturbances. Thus, combination of two kinds of evidence, neurological changes and functional improvement, provide fundamental evidence for OT intervention in neurological disorder. Even though most of stereological studies are in animal model and in postmortem human because of practical and ethical issues, stereology provides fundamental knowledge to support OT theory and practice. Conclusion : Therefore, stereology informs translation from neuroscience to OT based on structure-function relationship in performance skills and experience-dependent neural plasticity.

Non-stationary Frequency Analysis with Climate Variability using Conditional Generalized Extreme Value Distribution (기후변동을 고려한 조건부 GEV 분포를 이용한 비정상성 빈도분석)

  • Kim, Byung-Sik;Lee, Jung-Ki;Kim, Hung-Soo;Lee, Jin-Won
    • Journal of Wetlands Research
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    • v.13 no.3
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    • pp.499-514
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    • 2011
  • An underlying assumption of traditional hydrologic frequency analysis is that climate, and hence the frequency of hydrologic events, is stationary, or unchanging over time. Under stationary conditions, the distribution of the variable of interest is invariant to temporal translation. Water resources infrastructure planning and design, such as dams, levees, canals, bridges, and culverts, relies on an understanding of past conditions and projection of future conditions. But, Water managers have always known our world is inherently non-stationary, and they routinely deal with this in management and planning. The aim of this paper is to give a brief introduction to non-stationary extreme value analysis methods. In this paper, a non-stationary hydrologic frequency analysis approach is introduced in order to determine probability rainfall consider changing climate. The non-stationary statistical approach is based on the conditional Generalized Extreme Value(GEV) distribution and Maximum Likelihood parameter estimation. This method are applied to the annual maximum 24 hours-rainfall. The results show that the non-stationary GEV approach is suitable for determining probability rainfall for changing climate, sucha sa trend, Moreover, Non-stationary frequency analyzed using SOI(Southern Oscillation Index) of ENSO(El Nino Southern Oscillation).

Application of the Fluctuating Microbial Counts Using Probability Approaches in Food Industries (식품산업체에서 확률분포 모델을 이용한 불규칙적인 미생물 수 분포 활용)

  • Park, Gyung-Jin;Kim, Sung-Jo;Sim, Woo-Chang;Chun, Seok-Jo;Choi, Weon-Sang;Hong, Chong-Hae
    • Journal of Food Hygiene and Safety
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    • v.18 no.4
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    • pp.237-242
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    • 2003
  • Sequences of industrial microbial counts of foods shows irregular fluctuating patterns as adeinition of fluctuating microbial counts(FMC). Recently, it beame clear that the FMC was considered as having a lognormal distribution as a first order approximation. Application of lognormal distribution to the industrial microbial counts could produce useful information in practice. This study is intended to verift the application method of lognormal idstribution in FMC. The one year's records for microbial counts of frozen dumplings from two companies were obtained, and the statistical analysis was carried out to estimate the frequencies of future events where counts exceeding selected levels and to compare the sanitation level of the two companies. The results showed that this spplication method enable translation of irregular recourds of microbial counts into an useful information such as te actual probalities of outburst of a given level and the quantitative predictions of potential hazards in the processing.

Towards performance-based design under thunderstorm winds: a new method for wind speed evaluation using historical records and Monte Carlo simulations

  • Aboshosha, Haitham;Mara, Thomas G.;Izukawa, Nicole
    • Wind and Structures
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    • v.31 no.2
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    • pp.85-102
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    • 2020
  • Accurate load evaluation is essential in any performance-based design. Design wind speeds and associated wind loads are well defined for synoptic boundary layer winds but not for thunderstorms. The method presented in the current study represents a new approach to obtain design wind speeds associated with thunderstorms and their gust fronts using historical data and Monte Carlo simulations. The method consists of the following steps (i) developing a numerical model for thunderstorm downdrafts (i.e. downbursts) to account for storm translation and outflow dissipation, (ii) utilizing the model to characterize previous events and (iii) extrapolating the limited wind speed data to cover life-span of structures. The numerical model relies on a previously generated CFD wind field, which is validated using six documented thunderstorm events. The model suggests that 10 parameters are required to describe the characteristics of an event. The model is then utilized to analyze wind records obtained at Lubbock Preston Smith International Airport (KLBB) meteorological station to identify the thunderstorm parameters for this location, obtain their probability distributions, and utilized in the Monte Carlo simulation of thunderstorm gust front events for many thousands of years for the purpose of estimating design wind speeds. The analysis suggests a potential underestimation of design wind speeds when neglecting thunderstorm gust fronts, which is common practice in analyzing historical wind records. When compared to the design wind speed for a 700-year MRI in ASCE 7-10 and ASCE 7-16, the estimated wind speeds from the simulation were 10% and 11.5% higher, respectively.

Estimation of Extreme Wind Speeds in Korean Peninsula using Typhoon Monte Carlo Simulation (태풍 시뮬레이션을 통한 한반도 극한풍속 추정)

  • Lee, Sungsu;Kim, Ga Young
    • Journal of the Computational Structural Engineering Institute of Korea
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    • v.29 no.2
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    • pp.141-148
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    • 2016
  • The long-span bridges such as Incheon Bridge and Seohae Grand Bridge are located on the coastal region effected frequently by strong wind of typhoons. In order to ensure the wind-resistant performance of the structure, estimation of the proper design wind speed is very important. In this study, stochastic estimation of design wind speed incurred by typhoons is carried out. For this purpose, we first established probability distribution of climatological parameters such as central pressure depth, distance of closest approach, translation speed and heading to build statistical model of typhoons, which are employed in Monte Carlo simulation for hypothetical typhoons. Once a typhoon is generated with statistically justified parameters, wind speeds are estimated along its path using wind field model. Thousands of typhoons are generated and their peak wind speeds are utilized to establish the extreme wind speeds for different return period. The results are compared with design basic wind speeds in Korean Highway Bridge Design Code, showing that the present results agree well with similar studies while the existing code suggests higher design wind speed.

A prognosis discovering lethal-related genes in plants for target identification and inhibitor design (식물 치사관련 유전자를 이용하는 신규 제초제 작용점 탐색 및 조절물질 개발동향)

  • Hwang, I.T.;Lee, D.H.;Choi, J.S.;Kim, T.J.;Kim, B.T.;Park, Y.S.;Cho, K.Y.
    • The Korean Journal of Pesticide Science
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    • v.5 no.3
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    • pp.1-11
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    • 2001
  • New technologies will have a large impact on the discovery of new herbicide site of action. Genomics, combinatorial chemistry, and bioinformatics help take advantage of serendipity through tile sequencing of huge numbers of genes or the synthesis of large numbers of chemical compounds. There are approximately $10^{30}\;to\;10^{50}$ possible molecules in molecular space of which only a fraction have been synthesized. Combining this potential with having access to 50,000 plant genes in the future elevates tile probability of discovering flew herbicidal site of actions. If 0.1, 1.0 or 10% of total genes in a typical plant are valid for herbicide target, a plant with 50,000 genes would provide about 50, 500, and 5,000 targets, respectively. However, only 11 herbicide targets have been identified and commercialized. The successful design of novel herbicides depends on careful consideration of a number of factors including target enzyme selections and validations, inhibitor designs, and the metabolic fates. Biochemical information can be used to identify enzymes which produce lethal phenotypes. The identification of a lethal target site is an important step to this approach. An examination of the characteristics of known targets provides of crucial insight as to the definition of a lethal target. Recently, antisense RNA suppression of an enzyme translation has been used to determine the genes required for toxicity and offers a strategy for identifying lethal target sites. After the identification of a lethal target, detailed knowledge such as the enzyme kinetics and the protein structure may be used to design potent inhibitors. Various types of inhibitors may be designed for a given enzyme. Strategies for the selection of new enzyme targets giving the desired physiological response upon partial inhibition include identification of chemical leads, lethal mutants and the use of antisense technology. Enzyme inhibitors having agrochemical utility can be categorized into six major groups: ground-state analogues, group specific reagents, affinity labels, suicide substrates, reaction intermediate analogues, and extraneous site inhibitors. In this review, examples of each category, and their advantages and disadvantages, will be discussed. The target identification and construction of a potent inhibitor, in itself, may not lead to develop an effective herbicide. The desired in vivo activity, uptake and translocation, and metabolism of the inhibitor should be studied in detail to assess the full potential of the target. Strategies for delivery of the compound to the target enzyme and avoidance of premature detoxification may include a proherbicidal approach, especially when inhibitors are highly charged or when selective detoxification or activation can be exploited. Utilization of differences in detoxification or activation between weeds and crops may lead to enhance selectivity. Without a full appreciation of each of these facets of herbicide design, the chances for success with the target or enzyme-driven approach are reduced.

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