• Title/Summary/Keyword: Kinetic study

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Kinetic Study on the Oxidation Reaction of Alcohols by Cr(VI)-Quinoline Compound (크롬(VI)-퀴놀린 화합물에 의한 알코올류의 산화반응에 대한 반응속도론적 연구)

  • Park, Young-Cho;Kim, Soo-Jong
    • Journal of Convergence for Information Technology
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    • v.11 no.9
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    • pp.109-114
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    • 2021
  • Cr(VI)-quinoline compound[(C9H7NH)2Cr2O7] was synthesized by the reaction between of quinoline and chromium(VI) trioxide, and structure was FT-IR, elemental analysis. The oxidation ability of benzyl alcohol greatly depends upon the dielectric constant of the used organic solvent, where carbon tetrachloride was worst and N,N'-dimethylformamide was best solvent. Noticeably, in N,N'-dimethylformamide solvent, Cr(VI)-quinoline compound oxidized substituted benzyl alcohols. The Hammett reaction constant(ρ)=-0.69(303K). As a resuit, Cr(VI)-quinoline compound was found as efficicent oxidizing agent that converted benzyl alcohol, allyl alcohol, primary alcohol and secondary alcohols to the corresponding aldehydes or ketones. Cr(VI)-quinoline compound was selective oxidizing agent of benzyl alcohol, allyl alcohol and primary alcohol in the presence of secondary alcohol ones.

Receptor Binding Affinities of Synthetic Cannabinoids Determined by Non-Isotopic Receptor Binding Assay

  • Cha, Hye Jin;Song, Yun Jeong;Lee, Da Eun;Kim, Young-Hoon;Shin, Jisoon;Jang, Choon-Gon;Suh, Soo Kyung;Kim, Sung Jin;Yun, Jaesuk
    • Toxicological Research
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    • v.35 no.1
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    • pp.37-44
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    • 2019
  • A major predictor of the efficacy of natural or synthetic cannabinoids is their binding affinity to the cannabinoid type I receptor ($CB_1$) in the central nervous system, as the main psychological effects of cannabinoids are achieved via binding to this receptor. Conventionally, receptor binding assays have been performed using isotopes, which are inconvenient owing to the effects of radioactivity. In the present study, the binding affinities of five cannabinoids for purified $CB_1$ were measured using a surface plasmon resonance (SPR) technique as a putative non-isotopic receptor binding assay. Results were compared with those of a radio-isotope-labeled receptor binding assay. The representative natural cannabinoid ${\Delta}^9$-tetrahydrocannabinol and four synthetic cannabinoids, JWH-015, JWH-210, RCS-4, and JWH-250, were assessed using both the SPR biosensor assay and the conventional isotopic receptor binding assay. The binding affinities of the test substances to $CB_1$ were determined to be (from highest to lowest) $9.52{\times}10^{-3}M$ (JWH-210), $6.54{\times}10^{-12}M$ (JWH-250), $1.56{\times}10^{-11}M$ (${\Delta}^9$-tetrahydrocannabinol), $2.75{\times}10^{-11}M$ (RCS-4), and $6.80{\times}10^{-11}M$ (JWH-015) using the non-isotopic method. Using the conventional isotopic receptor binding assay, the same order of affinities was observed. In conclusion, our results support the use of kinetic analysis via SPR in place of the isotopic receptor binding assay. To replace the receptor binding affinity assay with SPR techniques in routine assays, further studies for method validation will be needed in the future.

Prediction of Axillary Lymph Node Metastasis in Early Breast Cancer Using Dynamic Contrast-Enhanced Magnetic Resonance Imaging and Diffusion-Weighted Imaging

  • Jeong, Eun Ha;Choi, Eun Jung;Choi, Hyemi;Park, Eun Hae;Song, Ji Soo
    • Investigative Magnetic Resonance Imaging
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    • v.23 no.2
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    • pp.125-135
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    • 2019
  • Purpose: The purpose of this study was to evaluate dynamic contrast-enhanced breast magnetic resonance imaging (DCE-MRI), and diffusion-weighted imaging (DWI) variables, for axillary lymph node (ALN) metastasis in the early stage of breast cancer. Materials and Methods: January 2011-April 2015, 787 patients with early stage of breast cancer were retrospectively reviewed. Only cases of invasive ductal carcinoma, were included in the patient population. Among them, 240 patients who underwent 3.0-T DCE-MRI, including DWI with b value 0 and $800s/mm^2$ were enrolled. MRI variables (adjacent vessel sign, whole-breast vascularity, initial enhancement pattern, quantitative kinetic parameters, signal enhancement ratio (SER), tumor apparent diffusion coefficient (ADC), peritumoral ADC, and peritumor-tumor ADC ratio) clinico-pathologic variables (age, T stage, multifocality, extensive intraductal carcinoma component (EIC), estrogen receptor, progesterone receptor, HER-2 status, Ki-67, molecular subtype, histologic grade, and nuclear grade) were compared between patients with axillary lymph node metastasis and those with no lymph node metastasis. Multivariate regression analysis was performed, to determine independent variables associated with ALN metastasis, and the area under the receiver operating characteristic curve (AUC), for predicting ALN metastasis was analyzed, for those variables. Results: On breast MRI, moderate or prominent ipsilateral whole-breast vascularity (moderate, odds ratio [OR] 3.45, 95% confidence interval [CI] 1.28-9.51 vs. prominent, OR = 15.59, 95% CI 2.52-96.46), SER (OR = 1.68, 95% CI 1.09-2.59), and peritumor-tumor ADC ratio (OR = 6.77, 95% CI 2.41-18.99), were independently associated with ALN metastasis. Among clinico-pathologic variables, HER-2 positivity was independently associated, with ALN metastasis (OR = 23.71, 95% CI 10.50-53.54). The AUC for combining selected MRI variables and clinico-pathologic variables, was higher than that of clinico-pathologic variables (P < 0.05). Conclusion: SER, moderate or prominent increased whole breast vascularity, and peritumor-tumor ADC ratio on breast MRI, are valuable in predicting ALN metastasis, in patients with early stage of breast cancer.

Detecting and Avoiding Dangerous Area for UAVs Using Public Big Data (공공 빅데이터를 이용한 UAV 위험구역검출 및 회피방법)

  • Park, Kyung Seok;Kim, Min Jun;Kim, Sung Ho
    • KIPS Transactions on Software and Data Engineering
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    • v.8 no.6
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    • pp.243-250
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    • 2019
  • Because of a moving UAV has a lot of potential/kinetic energy, if the UAV falls to the ground, it may have a lot of impact. Because this can lead to human casualities, in this paper, the population density area on the UAV flight path is defined as a dangerous area. The conventional UAV path flight was a passive form in which a UAV moved in accordance with a path preset by a user before the flight. Some UAVs include safety features such as a obstacle avoidance system during flight. Still, it is difficult to respond to changes in the real-time flight environment. Using public Big Data for UAV path flight can improve response to real-time flight environment changes by enabling detection of dangerous areas and avoidance of the areas. Therefore, in this paper, we propose a method to detect and avoid dangerous areas for UAVs by utilizing the Big Data collected in real-time. If the routh is designated according to the destination by the proposed method, the dangerous area is determined in real-time and the flight is made to the optimal bypass path. In further research, we will study ways to increase the quality satisfaction of the images acquired by flying under the avoidance flight plan.

Flow-Induced Noise Prediction for Submarines (잠수함 형상의 유동소음 해석기법 연구)

  • Yeo, Sang-Jae;Hong, Suk-Yoon;Song, Jee-Hun;Kwon, Hyun-Wung;Seol, Hanshin
    • Journal of the Korean Society of Marine Environment & Safety
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    • v.24 no.7
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    • pp.930-938
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    • 2018
  • Underwater noise radiated from submarines is directly related to the probability of being detected by the sonar of an enemy vessel. Therefore, minimizing the noise of a submarine is essential for improving survival outcomes. For modern submarines, as the speed and size of a submarine increase and noise reduction technology is developed, interest in flow noise around the hull has been increasing. In this study, a noise analysis technique was developed to predict flow noise generated around a submarine shape considering the free surface effect. When a submarine is operated near a free surface, turbulence-induced noise due to the turbulence of the flow and bubble noise from breaking waves arise. First, to analyze the flow around a submarine, VOF-based incompressible two-phase flow analysis was performed to derive flow field data and the shape of the free surface around the submarine. Turbulence-induced noise was analyzed by applying permeable FW-H, which is an acoustic analogy technique. Bubble noise was derived through a noise model for breaking waves based on the turbulent kinetic energy distribution results obtained from the CFD results. The analysis method developed was verified by comparison with experimental results for a submarine model measured in a Large Cavitation Tunnel (LCT).

Molecular Dynamics Simulation on the Thermal Boundary Resistance of a Thin-film and Experimental Validation (분자동역학을 이용한 박막의 열경계저항 예측 및 실험적 검증)

  • Suk, Myung Eun;Kim, Yun Young
    • Journal of the Computational Structural Engineering Institute of Korea
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    • v.32 no.2
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    • pp.103-108
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    • 2019
  • Non-equilibrium molecular dynamics simulation on the thermal boundary resistance(TBR) of an aluminum(Al)/silicon(Si) interface was performed in the present study. The constant heat flux across the Si/Al interface was simulated by adding the kinetic energy in hot Si region and removing the same amount of the energy from the cold Al region. The TBR estimated from the sharp temperature drop at the interface was independent of heat flux and equal to $5.13{\pm}0.17K{\cdot}m^2/GW$ at 300K. The simulation result was experimentally confirmed by the time-domain thermoreflectance technique. A 90nm thick Al film was deposited on a Si(100) wafer using an e-beam evaporator and the TBR on the film/substrate interface was measured using the time-domain thermoreflectance technique based on a femtosecond laser system. A numerical solution of the transient heat conduction equation was obtained using the finite difference method to estimate the TBR value. Experimental results were compared to the prediction and discussions on the nanoscale thermal transport phenomena were made.

The Study of CO2 Gasification of Low Rank Coal Impregnated by K2CO3, Mn(NO3)2, and Ce(NO3)3 (저급석탄에 K2CO3와 Mn(NO3)2 및 Ce(NO3)3이 CO2-석탄 가스화 반응에 미치는 영향)

  • Park, SangTae;Choi, YongTaek;Shon, JungMin
    • Applied Chemistry for Engineering
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    • v.22 no.3
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    • pp.312-318
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    • 2011
  • We have investigated the kinetics and catalytic activity of $CO_2$-lignite gasification with various metal precursors as catalysts. $K_2CO_3$, $Mn(NO_3)_2$, and $Ce(NO_3)_3$ were used and impregnated on a coal using an evaporator. The gasification experiments were carried out with the low rank coal loaded with 5 wt% catalyst at the temperature range from $700{\sim}900^{\circ}C$ and atmospheric pressure with the $N_2-CO_2$ reactant gas mixture. The catalytic effect on the gasification rate of the low rank coal with $CO_2$ was determined by the thermogravimetric analyzer. It was observed that the low rank coal reached the complete carbon conversion regardless of the kinds of catalysts at $900^{\circ}C$ from the results of TGA. The catalytic activity was ranked as 5 wt% $K_2CO_3$ > 5 wt% $Mn(NO_3)_2$ > 5 wt% $Ce(NO_3)_3$ > Non-catalyst at $900^{\circ}C$. The gasification rate increased with increasing the temperature. The activation energy of the catalytic gasification with 5 wt% $K_2CO_3$ was 119.0 kJ/mol, which was the lowest among all catalysts.

Hydrotreating for Stabilization of Bio-oil Mixture over Ni-based Bimetallic Catalysts (Ni계 이원금속 촉매에 의한 혼합 바이오오일의 안정화를 위한 수소첨가 반응)

  • Lee, Seong Chan;Zuo, Hao;Woo, Hee Chul
    • Clean Technology
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    • v.27 no.1
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    • pp.69-78
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    • 2021
  • Vegetable oils, such as palm oil and cashew nut shell liquid (CNSL), are used as major raw materials for bio-diesel in transportation and bio-heavy oil in power generation in South Korea. However, due to the high unsaturation degree caused by hydrocarbon double bonds and a high content of oxygen originating from the presence of carboxylic acid, the range of applications as fuel oil is limited. In this study, hydrotreating to saturate unsaturated hydrocarbons and remove oxygen in mixed bio-oil containing 1/1 v/v% palm oil and CNSL on monometallic catalysts (Ni and Cu) and bimetallic catalysts (Ni-Zn, Ni-Fe, Ni-Cu Ni-Co, Ni-Pd, and Ni-Pt) was perform under mild conditions (T = 250 ~ 400 ℃, P = 5 ~ 80 bar and LHSV = 1 h-1). The addition of noble metals and transition metals to Ni showed synergistic effects to improve both hydrogenation (HYD) and hydrodeoxygenation (HDO) activities. The most promising catalyst was Ni-Cu/��-Al2O3, and in the wide range of the Ni/Cu atomic ratio of 9/1~1/4, the conversion for HYD and HDO reactions of the catalysts were 90-93% and 95-99%, respectively. The tendency to exhibit almost constant reaction activity in these catalysts of different Ni/Cu atomic ratios implies a typical structure-insensitive reaction. The refined bio-oil produced by hydrotreating (HDY and HDO) had significantly lower iodine value, acid value, and kinetic viscosity than the raw bio-oil and the higher heating value (HHV) was increased by about 10%.

Risk assessment for norovirus foodborne illness by raw oyster (Ostreidae) consumption and economic burden in Korea

  • Yoo, Yoonjeong;Oh, Hyemin;Lee, Yewon;Sung, Miseon;Hwang, Jeongeun;Zhao, Ziwei;Park, Sunho;Choi, Changsun;Yoon, Yohan
    • Fisheries and Aquatic Sciences
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    • v.25 no.5
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    • pp.287-297
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    • 2022
  • The objective of this study was to evaluate the probability of norovirus foodborne illness by raw oyster consumption. One hundred fifty-six oyster samples were collected to examine the norovirus prevalence. The oyster samples were inoculated with murine norovirus and stored at 4℃-25℃. A plaque assay determined norovirus titers. The norovirus titers were fitted with the Baranyi model to calculate shoulder period (h) and death rate (Log PFU/g/h). These kinetic parameters were fitted to a polynomial model as a function of temperature. Distribution temperature and time were surveyed, and consumption data were surveyed. A dose-response model was also searched through literature. The simulation model was prepared with these data in @RISK to estimate the probability of norovirus foodborne. One sample of 156 samples was norovirus positive. Thus, the initial contamination level was estimated by the Beta distribution (2, 156), and the level was -5.3 Log PFU/g. The developed predictive models showed that the norovirus titers decreased in oysters under the storage conditions simulated with the Uniform distribution (0.325, 1.643) for time and the Pert distribution (10, 18, 25) for temperature. Consumption ratio of raw oyster was 0.98%, and average consumption amount was 1.82 g, calculated by the Pert distribution [Pert {1.8200, 1.8200, 335.30, Truncate (0, 236.8)}]. 1F1 hypergeometric dose-response model [1 - (1 + 2.55 × 10-3 × dose)-0.086] was appropriate to evaluate dose-response. The simulation showed that the probability of norovirus foodborne illness by raw oyster consumption was 5.90 × 10-10 per person per day. The annual socioeconomic cost of consuming raw oysters contaminated with norovirus was not very high.

1H NMR Kinetic Studies for Degradation of Nitramine Explosives Using PdO Nanoparticle (PdO 나노입자를 이용한 니트라민 폭발물 분해반응에 대한 1H NMR 반응속도연구)

  • Kye, Young-Sik;Kumbier, Mathew;Kim, Dongwook;Harbison, Gerard S.;Langell, Marjorie A.
    • Applied Chemistry for Engineering
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    • v.33 no.3
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    • pp.302-308
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    • 2022
  • The PdO nanoparticle with large surface area was selected to solve the environmental pollution problem at fire range caused by high energy explosives research department explosive (RDX) and high melting explosive (HMX). By simulating water pollution, RDX and HMX nitramine explosives were dissolved in water, followed by the degradation reaction at 313 K by adding PdO. In order to measure the degradation reaction rate of explosives, 1H NMR was used, which can monitor the reaction rate without losing sample during reaction, and observe the progress of the reaction through the spectrum. The results showed that the degradation of RDX and HMX by PdO nanoparticles are pseudo-first order reaction. The degradation of explosives compounds were observed via the chemical shift and peak intensity analysis of NMR peaks. The measured rate constants for these reactions of RDX and HMX were 2.10 × 10-2 and 6.35 × 10-4 h-1, respectively. This study showed that the application of PdO nanoparticles for explosives degradation is a feasible option.