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Diffusion Behavior of n-Alkanes by Molecular Dynamics Simulations

  • Goo, Geun-Hoi;Sung, Gi-Hong;Lee, Song-Hi;Chang, Tai-Hyun
    • Bulletin of the Korean Chemical Society
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    • v.23 no.11
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    • pp.1595-1603
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    • 2002
  • In this paper we have presented the results of diffusion behavior of model systems for eight liquid n-alkanes ($C_{12}$-$C_{44}$) in a canonical (NVT) ensemble at several temperatures using molecular dynamics simulations. For these n-alkanes of small chain length n, the chains are clearly <$R_{ee}^2$>/6<$R_g^2$>>1 and non-Gaussian. This result implies that the liquid n-alkanes over the whole temperatures considered are far away from the Rouse regime, though the ratio becomes close to the unity as n increases. Calculated self-diffusion constants $D_{self}$ are comparable with experimental results and the Arrhenius plot of self-diffusion constants versus inverse temperature shows a different temperature dependence of diffusion on the chain length. The global rotational motion of n-alkanes is examined by characterizing the orientation relaxation of the end-to-end vector and it is found that the ratio ${\tau}1/{\tau}2$ is less than 3, the value expected for a isotropically diffusive rotational process. The friction constants ${\xi}$of the whole molecules of n-alkanes are calculated directly from the force auto-correlation (FAC) functions and compared with the monomeric friction constants ${\xi}_D$ extracted from $D_{self}$. Both the friction constants give a correct qualitative trends: decrease with increasing temperature and increase with increasing chain length. The friction constant calculated from the FAC's decreases very slowly with increasing temperature, while the monomeric friction constant varies rapidly with temperature. By considering the orientation relaxation of local vectors and diffusion of each site, it is found that rotational and translational diffusions of the ends are faster than those of the center.

A Study of the Effect of Character Perspectives on the Player's Moral Decision in Interactive Story (인터랙티브 스토리 내에서 플레이어의 도덕적 결정에 대한 캐릭터 시점의 영향 연구)

  • Yang, Jung-Woo;Gang, Shin-Jin;Bae, Byung-Chull
    • Journal of Korea Game Society
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    • v.16 no.6
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    • pp.111-120
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    • 2016
  • This paper aims to study whether the perspective of the character controlled by a player can affect the player on her moral decision. To this end we designed and developed Castaway, an interactive story using Unity3D game engine. The main story plot of Castaway is based on the trial 'R v Dudley and Stephens (also known as mignonette 1884) which occurred at 1884 in U.K. In Castaway, the player can choose either the accused or the victim, and then play the interactive story with the perspective of the chosen character. To investigate the relationship between the player's empathy to the player character and player's moral decision, we conducted a small-scale (n=10) pilot study. Results of the pilot study have shown that different perspectives can influence the player on her empathy to player character and her moral decision. In near future we plan to conduct a main study with more participants.

The Effect of a Target Controlled Infusion of Low-Concentration Ketamine on the Heart Rate Variability of Normal Volunteers (정상인 자원자에서 목표농도조절주입법으로 투여한 저농도의 케타민이 심장박동수변이도에 미치는 영향)

  • Jung, Jai Yun;Lee, Jun Ho;Lee, Jeong Seok;Kim, Yong Ik
    • The Korean Journal of Pain
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    • v.22 no.1
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    • pp.39-46
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    • 2009
  • Background: Ketamine has an indirect sympathetic stimulation effect. We investigated heart rate variability (HRV) as a marker of cardiac autonomic function after a target controlled infusion (TCI) of ketamine with a plasma concentration of 30 or 60 ng/ml. Methods: In 20 adult volunteers, the mean of the R wave to the adjacent R wave interval (RRI), the range of RRI, the root mean square successive difference of intervals (RMSSD), the total power, the low frequency (LF, 0.04-0.15 Hz) power, the high frequency (HF, 0.15-0.4 Hz) power, the normal unit HF (nuHF), the normal unit LF (nuLF), the LF/HF ratio and the SD1 and the SD2 in the Poincare plot were measured before and after a TCI of ketamine. We observed for any psychedelic symptoms or sedation. Results: There were no differences in the mean and range of the RRI, RMSSD, total power, LF power, HF power, nuHF, nuLF, LF/HF ratio, SD1 and SD2 between before and after ketamine administration. The OAA/S score was higher and there were more psychedelic symptoms with a 60 ng/ml plasma concentration than with a 30 ng/ml plasma concentration. Conclusions: This study did not show any effect of a low plasma concentration of ketamine on the autonomic nervous system.

Estimating the Important Components in Three Different Sample Types of Soybean by Near Infrared Reflectance Spectroscopy

  • Lee, Ho-Sun;Kim, Jung-Bong;Lee, Young-Yi;Lee, Sok-Young;Gwag, Jae-Gyun;Baek, Hyung-Jin;Kim, Chung-Kon;Yoon, Mun-Sup
    • KOREAN JOURNAL OF CROP SCIENCE
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    • v.56 no.1
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    • pp.88-93
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    • 2011
  • This experiment was carried out to find suitable sample type for the more accurate prediction and non-destructive way in the application of near infrared reflectance spectroscopy (NIRS) technique for estimation the protein, total amino acids, and total isoflavone of soybean by comparing three different sample types, single seed, whole seeds, and milled seeds powder. The coefficient of determination in calibration ($R^2$) and coefficient of determination in cross-validation (1-VR) for three components analyzed using NIRS revealed that milled powder sample type yielded the highest, followed by single seed, and the whole seeds as the lowest. The coefficient of determination in calibration for single seed was moderately low($R^2$ 0.70-0.84), while the calibration equation developed with NIRS data scanned with whole seeds showed the lowest accuracy and reliability compared with other sample groups. The scatter plot for NIRS data versus the reference data of whole seeds showed the widest data cloud, in contrary with the milled powder type which showed flatter data cloud. By comparison of NIRS results for total isoflavone, total amino acids, and protein of soybean seeds with three sample types, the powder sample could be estimated for the most accurate prediction. However, based from the results, the use of single bean samples, without grinding the seeds and in consideration with NIRS application for more nondestructive and faster prediction, is proven to be a promising strategy for soybean component estimation using NIRS.

A Study on the Measurement Accuracy and Linearity of the Mandibular Kinesiograph (Mandibular Kinesiograph의 선형충실도 및 계측정확도에 관한 연구)

  • Kim, In-Kwon
    • The Journal of the Korean dental association
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    • v.22 no.7 s.182
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    • pp.607-620
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    • 1984
  • The validity of the Kinesiegraph (MHG-5R) output was studied using a non-ferromagnetic positioning device within working range of a 3 cm wide by 4 cm deep by 5 cm high three dimensional lattice. To determine how well observed values of the M K G outputs may predict case values of actual measurements, relationships between those values were tested by viewing scatter plots and correlation between observed values and actual values. In order to devise some form of served values of the M k G outputs (volts), statistical regression analysis was performed. The statistical analysis showed that observed values and actual values were strongly correlated. However, high correlation does not necessarily mean perfect predictability of given linear models. The formulated models were not able to predict all of acutal values this is partly 엳 새the discreteness of dependent variables (actual values) and also is because of independent nature of observed values. In conclusion, unless the Kinesiograph is suitably modified, the inherent nonlinearity characteristic of the system output limits its application to the measurement of a limited range of jaw movements.

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Effects of pH and Carbon Sources on Biohydrogen Production by Co-Culture of Clostridium butyricum and Rhodobacter sphaeroides

  • Lee, Jung-Yeol;Chen, Xue-Jiao;Lee, Eun-Jung;Min, Kyung-Sok
    • Journal of Microbiology and Biotechnology
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    • v.22 no.3
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    • pp.400-406
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    • 2012
  • To improve the hydrogen yield from biological fermentation of organic wastewater, a co-culture system of dark- and photo-fermentation bacteria was investigated. In a pure-culture system of the dark-fermentation bacterium Clostridium butyricum, a pH of 6.25 was found to be optimal, resulting in a hydrogen production rate of 18.7 ml-$H_2/l/h$. On the other hand, the photosynthetic bacterium Rhodobacter sphaeroides could produce the most hydrogen at 1.81mol-$H_2/mol$-glucose at pH 7.0. The maximum specific growth rate of R. sphaeroides was determined to be 2.93 $h^{-1}$ when acetic acid was used as the carbon source, a result that was significantly higher than that obtained using either glucose or a mixture of volatile fatty acids (VFAs). Acetic acid best supported R. sphaeroides cell growth but not hydrogen production. In the co-culture system with glucose, hydrogen could be steadily produced without any lag phase. There were distinguishable inflection points in a plot of accumulated hydrogen over time, resulting from the dynamic production or consumption of VFAs by the interaction between the dark- and photo-fermentation bacteria. Lastly, the hydrogen production rate of a repeated fed-batch run was 15.9 ml-$H_2/l/h$, which was achievable in a sustainable manner.

Characteristics and Preparation of Manganese Oxide Electrode by Using Pulse Voltammetry Electrodeposition for Electrolysis (펄스 전착법을 이용한 전기분해용 망간 산화물 전극의 제조 및 특성)

  • Yang, Jeong-Jin;Lee, Mi-Young;Kim, Jeong-Sik;Shin, Hyun-Soo;Park, Soo-Gil
    • Journal of the Korean Electrochemical Society
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    • v.13 no.2
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    • pp.138-144
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    • 2010
  • In order to investigate the electrochemical propertied of titanium electrode for electrolysis, manganese oxide was electrodeposited on surface of mesh titanium by pulse voltammetry. The morphological changes and impedance results of manganese oxide electrodeposited electrode were analyzed by SEM and EDX. The size of electrodeposited manganese oxide on mesh titanium was increased with first cycle pulse time increase, and approximately 100 non-uniform manganese oxide was grown at 10 ms pulse polarization time. Charge transfer resistance($R_{ct}$) of near the overpotential was analyzed by EIS measurement and the feasibility of prepared electrode was evaluated by the overpotential calculated from Tafel plots.

Development and Assessment of New RT-qPCR Assay for Detection of HIV-1 Subtypes

  • Lim, Kwanhun;Park, Min;Lee, Min Ho;Woo, Hyun Jun;Kim, Jong-Bae
    • Biomedical Science Letters
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    • v.22 no.3
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    • pp.83-97
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    • 2016
  • The measurement of viral load in HIV-1 infected patients is essential for the establishment of a therapeutic strategy. Several commercial assays have shown shortcomings in quantifying rare genotypes of HIV-1 such as minor groups of N and O. In this study, the HIV-1 RT-qPCR assay was developed. The primers and probe of HIV-1 were designed to target the pol gene and to increase the detection efficiency of various subtypes including group N and O. The HIV-1 quantitative RT-qPCR assay was assessed for its analytical performance and clinical evaluation. The LoD was determined to 33.9 IU/ml. The LoD of several subtypes including A, C, D, CRF_01AE, F, CRF_02AG, G and H, were determined to less than 40 IU/ml. The HIV-1 quantitative RT-qPCR assay was evaluated using the China National Reference Panel of HIV-1 RNA to determine the analytical performance. The results were all within the acceptable range. The clinical evaluation was performed at Hunan CDC in China. The clinical evaluation results were compared with those of the China domestic commercial kit. A significant correlation (fresh samples; $R^2=0.84$, P<0.001, frozen samples; $R^2=0.76$, P<0.001) between the two systems was observed for 64 fresh samples and 76 frozen samples with viral loads, and the Bland-Altman plot showed good agreement (98.4%, 96.1%, respectively). In conclusion, the HIV-1 quantitative RT-qPCR assay had comparable analytical performance with several commercial kits. The study provides basic data for the research of HIV-1 diagnosis and the development of P < HIV-1 molecular diagnostic assay.

Evaluation of Two Kinetic Models on the Inactivation of Major Foodborne Pathogens by Aqueous Chlorine Dioxide Treatment (이산화염소수 처리에 의한 주요 식중독균의 불활성화에 관한 두 kinetic models의 비교)

  • Lee, Ji-Hye;Song, Hyeon-Jeong;Song, Kyung-Bin
    • Food Science and Preservation
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    • v.18 no.3
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    • pp.423-428
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    • 2011
  • Inactivation kinetic data of Escherichia coli O157:H7, Listeria monocytogenes, Staphylococcus aureus, Salmonella Typhimurium, and Salmonella Enteritidis via treatment with aqueous chlorine dioxide treatment at a specific concentration were evaluated using the first-order kinetic and Weibull models. The Weibull model showed a better fit with the kinetic data than the first-order kinetic model. The survival curves after the aqueous chlorine dioxide treatment showed $t_R$ values(time required to reduce microbial populations by 90%) of 2.49 min for E. coli O157:H7 at 5 ppm, 1.47 min for L. monocytogenes at 5 ppm, 0.94 min for S. aureus at 5 ppm, 0.87 min for S. Typhimurium at 1 ppm, and 0.08 min for S. Enteritidis at 1 ppm, according to the Weibull model.

Investigating the future changes of extreme precipitation indices in Asian regions dominated by south Asian summer monsoon

  • Deegala Durage Danushka Prasadi Deegala;Eun-Sung Chung
    • Proceedings of the Korea Water Resources Association Conference
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    • 2023.05a
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    • pp.174-174
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    • 2023
  • The impact of global warming on the south Asian summer monsoon is of critical importance for the large population of this region. This study aims to investigate the future changes of the precipitation extremes during pre-monsoon and monsoon, across this region in a more organized regional structure. The study area is divided into six major divisions based on the Köppen-Geiger's climate structure and 10 sub-divisions considering the geographical locations. The future changes of extreme precipitation indices are analyzed for each zone separately using five indices from ETCCDI (Expert Team on Climate Change Detection and Indices); R10mm, Rx1day, Rx5day, R95pTOT and PRCPTOT. 10 global climate model (GCM) outputs from the latest CMIP6 under four combinations of SSP-RCP scenarios (SSP1-2.6, SSP2-4.5, SSP3-7.0, and SSP5-8.5) are used. The GCMs are bias corrected using nonparametric quantile transformation based on the smoothing spline method. The future period is divided into near future (2031-2065) and far future (2066-2100) and then the changes are compared based on the historical period (1980-2014). The analysis is carried out separately for pre-monsoon (March, April, May) and monsoon (June, July, August, September). The methodology used to compare the changes is probability distribution functions (PDF). Kernel density estimation is used to plot the PDFs. For this study we did not use a multi-model ensemble output and the changes in each extreme precipitation index are analyzed GCM wise. From the results it can be observed that the performance of the GCMs vary depending on the sub-zone as well as on the precipitation index. Final conclusions are made by removing the poor performing GCMs and by analyzing the overall changes in the PDFs of the remaining GCMs.

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