• 제목/요약/키워드: Kinetic studies

검색결과 730건 처리시간 0.027초

Insights from an OKMC simulation of dose rate effects on the irradiated microstructure of RPV model alloys

  • Jianyang Li;Chonghong Zhang;Ignacio Martin-Bragado;Yitao Yang;Tieshan Wang
    • Nuclear Engineering and Technology
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    • 제55권3호
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    • pp.958-967
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    • 2023
  • This work studies the defect features in a dilute FeMnNi alloy by an Object Kinetic Monte Carlo (OKMC) model based on the "grey-alloy" method. The dose rate effect is studied at 573 K in a wide range of dose rates from 10-8 to 10-4 displacement per atom (dpa)/s and demonstrates that the density of defect clusters rises while the average size of defect clusters decreases with increasing dose rate. However, the dose-rate effect decreases with increasing irradiation dose. The model considered two realistic mechanisms for producing <100>-type self-interstitial atom (SIA) loops and gave reasonable production ratios compared with experimental results. Our simulation shows that the proportion of <100>-type SIA loops could change obviously with the dose rate, influencing hardening prediction for various dose rates irradiation. We also investigated ways to compensate for the dose rate effect. The simulation results verified that about a 100 K temperature shift at a high dose rate of 1×10-4 dpa/s could produce similar irradiation microstructures to a lower dose rate of 1×10-7 dpa/s irradiation, including matrix defects and deduced solute migration events. The work brings new insight into the OKMC modeling and the dose rate effect of the Fe-based alloys.

마우스에서 아세트아미노펜의 급성간독성과 독물동태학 (Acute Hepatotoxicity and Toxicokinetics of Acetaminophen in Mice)

  • 서경원;류정상;김효정
    • Toxicological Research
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    • 제13권3호
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    • pp.237-245
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    • 1997
  • As the development of a pharmaceutical product is a dynamic process which involves continuousfeed-back between non-clinical and clinical studies, the integration of pharmacokinetics into toxicity testing became increasingly important in recent years. Toxicokinetic measurements in the toxicity studies is considered to be an important scientific approach in the interpretation of the toxicology findings and the promotion of rational study design development. Primarily this research project was conducted to determine the systemic exposure achieved in acute toxicity test and its relationship to dose level and the time course of the toxicity study. Acute hepatotoxicity study and its relevant toxicokinetic study in mice were performed using acetarninophen (AA) as a model compound. The correlation between acute hepatotoxicity indices and toxicokinetic parameters following intraperitoneally administration of various dosages of AA in mice was evaluated and discussed minutely in the text. Based on these studies, single-dose toxicity testing of AA including kinetic studies was evaluated in ICR mice for 7 days and interpreted in the text. Our results from the integration of toxicokinetic monitoring into single-dose toxicity study enable to elucidate the relation of the exposure achieved in toxicity study to toxicological findings and assist in the selection of appropriate dose levels for use in repeated-dose toxicity or later studies.

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N,N-Dimethyl-N-Dodecyl-N-(2-methylbenzimidazoyl) Ammonium Chloride 미셀 용액속에서 p-Nitrophenyl Carboxylic Ester의 가수분해 (Hydrolysis of p-Nitrophenyl Carboxylic Ester in N,N-Dimethyl-N-dodecyl-N-(2-methylbenzimidazoyl) Ammonium Chloride Micellar Solution)

  • 김정배;김학윤
    • 한국환경과학회지
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    • 제17권5호
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    • pp.509-516
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    • 2008
  • New functional surfactant, N,N-dimethyl-N-dodecyl-N-(2-methyl benzimidazoyl) ammonium chloride(DDBAC) having benzimidazole(BI) functional group have been synthesized and the critical micellar concentration of DDBAC measured by surface tentiometry and electric conductivity method was $8.9{\times}10^{-4}M$. Micellar effects in DDBAC functional surfactant solution on the hydrolysis of p-nitrophenylacetate(p-NPA), p-nitro-phenylpropionate(p-NPP) and p-nitrophenylvalerate(p-NPV) were observed with change of various pH (Tris-buffer). The pseudo first rate constants of hydrolysis of p-NPA, p-NPP and p-NPV in optimum concentration of DDBAC solution increase to about 160, 280 and 600 times, respectively, as compared with those of aqueous solution at pH 8.00(Tris-buffer). It is considered that benzimidazole functional moiety accelerates the reaction rates of hydrolysis because they act as nucleophile or general base. In optimum concentration of DDBAC solution, the rate constants of hydrolysis of p-NPP and p-NPV increase to about 1.5 and 3.0 times, respectively, as compared with that of p-NPA. It means that the more the carbon numbers of alkyl group of substrates, the larger the binding constants between DDBAC micelle and substrates are. To know the hydrolysis mechanism of p-NPCE(p-NPA, p-NPP and p-NPV), the deuterium kinetic isotope effects were measured in $D_2O$ solutions. Consequently the pseudo first order rate constant ratios in $H_2O$ and $D_2O$ solution, $k_{H_2O}/k_{D_2O}$, were about $2.8{\sim}3.0$ range. It means that the mechanism of hydrolysis were proceeded by nucleophile and general base attack in approximately same value.

국내 합성수지 식품포장재에서의 첨가제 이행과 유지식품용 대체시뮬란트의 응용 (Migration of Additives from Domestic Plastic Food Contact Materials and Application of Alternative Fatty Food Simulant)

  • 이창성;이근택;이광호
    • 한국식품위생안전성학회지
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    • 제12권2호
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    • pp.132-140
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    • 1997
  • Additives in plastics are capable of migrating from the packaging materials into the foodstuffs, thereby presenting a source of contamination and a potential health risk to the consumer. The migration from packaging materials into foodstuffs is first of all regulated by examining the amounts of global and specific migrated components. Besides, there is worldwide still a need for practical methods for measuring and monitoring migration from polymers, especially for the testing of migration into fatty foodstuffs. Therefore, these studies were undertaken to investigate the safety status of domestic plastic packaging materials with respect to migration. Another objective of this study was to examine the applicability of ethanol as an alternative fatty food simulant substituting for olive oil and n-heptane. The evaporation residues for various dometic plastic samples determined as described in Korean food laws were in the level from 4.3 to 14.5 mg/$\ell$, which were much lower than the limit value of 150 mg/$\ell$. The global migration values into 95 % ethanol showed to be comparable to those into n-heptane, while the olive oil migration values were comparably higher than those into ethanol or n-heptane and moreover they were not reproducible. The kinetic migration begavior of additives in polyolefin samples into 95% ethanol showed a Fickian diffusion process. The results of these studies on global migration and kinetic testings demonstrate that the ethanol could be successfully substitute for the olive oil and n-heptane as an alternative fatty food simulant, at least in contact with polyoefins.

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Batch and Continuous Culture Kinetics for Production of Carotenoids by ${\beta}$-Ionone-Resistant Mutant of Xanthophyllomyces dendrorhous

  • Park, Ki-Moon;Song, Min-Woo;Kang, Seog-Jin;Lee, Jae-Heung
    • Journal of Microbiology and Biotechnology
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    • 제17권7호
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    • pp.1221-1225
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    • 2007
  • A ${\beta}$-ionone-resistant mutant strain isolated from the red yeast Xanthophyllomyces dendrorhous KCTC 7704 was used for batch and continuous fermentation kinetic studies with glucose media in a 2.5-1 jar fermentor at $22^{\circ}C$ and pH 4.5. The kinetic pattern of growth and carotenoid concentration in the batch fermentations exhibited a so-called mixed-growth-associated product formation, possibly due to the fact that the content of intracellular carotenoids depends on the degree of physical maturation toward adulthood. To determine the maximum specific growth rate constant (${\mu}_m$) and Monod constant ($K_s$) for the mutant, glucose-limited continuous culture studies were performed at different dilution rates within a range of $0.02-0.10\;h^{-1}$. A reciprocal plot of the steady-state data (viz., reciprocal of glucose concentration versus residence time) obtained from continuous culture experiments was used to estimate a ${\mu}_m$ of $0.15\;h^{-1}$ and $k_s$ of 1.19 g/l. The carotenoid content related to the residence time appeared to assume a typical form of saturation kinetics. The maximum carotenoid content ($X_m$) for the mutant was estimated to be $1.04\;{\mu}g/mg$ dry cell weight, and the Lee constant ($k_m$), which was tentatively defined in this work, was found to be 3.0 h.

CO2분위기하에서 저급석탄 촉매가스화 반응 특성 연구 (Kinetic Studies of the Catalytic Low Rank Coal Gasification under CO2 Atmosphere)

  • 박찬영;박지윤;이시훈;유지호;한문희;이영우
    • Korean Chemical Engineering Research
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    • 제50권6호
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    • pp.1086-1092
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    • 2012
  • 본 촉매가스화 실험에서 촉매로서 가치가 있는 천연광물과 순수촉매를 사용하여 저급석탄의 $CO_2$분위기하 활성화 에너지 및 생성된 합성가스의 성분을 분석하였다. 먼저 공업 분석과 원소 분석을 통해 6가지 저급석탄의 회분과 황 함유량을 측정하였다. 그 후 Thermogravimetric Analyzer (TGA)를 통해 저급석탄 열분해반응 특성을 고려하여 실험에 가장 적합한 저급석탄을 선정하였다. 선정된 삼화 저급석탄은 촉매와 섞어 $CO_2$분위기하 TGA실험을 진행하였으며, 결과를 토대로 Kissinger 방법을 이용한 활성화 에너지를 구하였다. 또한 shrinking core model을 이용해 활성화 에너지를 구하여 Kissinger 방법과 비교하였다. 그리고 반응기에서 이산화탄소 분위기하 생성된 합성가스는 Gas Chromatography (GC)를 이용하여 분석하였다. 가스를 분석한 결과 수소의 생성량은 $K_2CO_3$를 촉매로 사용하였을 경우 가장 크게 나타났으며, 앞서 구한 활성화 에너지 결과와 일치하는 경향을 나타내었다.

파라치환 벤조일화합물과 피리딘의 친핵성치환반응에 대한 속도론적 연구 (Kinetic Studies of Nucleophilic Substitution Reaction of para-Substituted Benzoyl Compounds with Pyridines)

  • 김정화;엄태섭;이익춘;구인선
    • 대한화학회지
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    • 제29권1호
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    • pp.15-22
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    • 1985
  • 25$^{\circ}C$ 아세톤속에서 벤조일화합물과 피리딘류와의 친핵성치환반응을 속도론적으로 연구하였다. 전이상태 파라미터 $_{\rho}_S$, $_{\rho}_N$, ${\beta}$값으로 보아 생성물을 닮은 전이상태를 갖는 synchronous S$_N$2 반응메카니즘을 예상할 수 있었다. Potential Energy Surface 모형으로서 S$_N$2 반응메카니즘의 규명은 가능했으나 결합형성이 많이 진전되고 결합의 파괴는 약간 진전된 생성물에 더 가까운 전이상태 변화의 예측과 이탈능력 증가(Cl- < CN-)에 따르는 전이상태 변화의 예측은 불가능하였다. Quantum mechanical 모형의 적용으로 이들 반응의 전이상태 역시 생성물을 닮은 구조임을 알 수 있었고 CN-이 Cl-보다 이탈능력이 좋음을 예측할 수 있었다.

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친핵성 치환반응에 관한 고압에서의 속도론적 연구 (Kinetic Studies for the Nucleopilic Substitution Reactions under High Pressure)

  • 김영철;김세경
    • 대한화학회지
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    • 제37권6호
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    • pp.577-584
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    • 1993
  • 아세토니트릴 용매내에서 파라치환 염화벤조일류와 피리딘류의 반응속도를 온도와 압력변화에 따라 전기전도도법으로 측정하여 유사1차반응속도상수와 2차반응속도상수를 구하였다. 이들 반응속도상수로부터 활성화파라미터들(${\Delta}V^\neq, {\Delta}{\beta}^{\neq}, {\Delta}H^{\neq}, {\Delta}S^{\neq} {\Delta}G^{\neq}$)과 Hammett ρ를 구하였다. 이때 ${\Delta}V^\neq, {\Delta}{\beta}^{\neq}및 {\Delta}S^{\neq}$는 모두 음의 값을 나타내었으며, 모든 압력 조건에서 친핵체의 치환기 효과 ρ$_X$는 음의 값을 기질의 치환기효과 ρ$_Y$는 양의 값을 나타내었다. 압력과 치환기 변화에 따른 속도론적 연구를 종합하면, 전체적인 반응은 전형적인 S$_N$2 반응메카니즘을 따르며, 압력 증가에 따라 결합형성이 더욱 촉진된 반응메카니즘으로 진행됨을 알 수 있다.

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The Immediate Effect of Medial Arch Support on Dynamic Knee Valgus During Stair Descent and Its Relationship With the Severity of Pronated Feet

  • Yoo, Hwa-ik;Jung, Sung-hoon;Lee, Do-eun;Ahn, Il-kyu;Kwon, Oh-yun
    • 한국전문물리치료학회지
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    • 제29권3호
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    • pp.208-214
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    • 2022
  • Background: Pronated foot posture (PFP) contributes to excessive dynamic knee valgus (DKV). Although foot orthoses such as medial arch support (MAS) are widely and easily used in clinical practice and sports, few studies have investigated the effect of MAS on the improvement of DKV during stair descent in individuals with a PFP. Moreover, no studies reported the degree of improvement in DKV according to the severity of PFP when MAS was applied. Objects: This study aimed to examine the immediate effect of MAS on DKV during stair descent and determine the correlation between navicular drop distance and changes in DKV when MAS is applied. Methods: Twenty individuals with a PFP (15 males and five females) participated in this study. The navicular drop test was used to measure PFP severity. The frontal plane projection angle (FPPA) was calculated under two conditions, with and without MAS application, using 2-dimensional video analysis. Results: During stair descent, the FPPA with MAS (173.1° ± 4.7°) was significantly greater than that without MAS (164.8° ± 5.8°) (p < 0.05). There was also a significant correlation between the navicular drop distance and improvement in the FPPA when MAS was applied (r = 0.453, p = 0.045). Conclusion: MAS application can affect the decrease in DKV during stair descent. In addition, MAS application should be considered to improve the knee alignment for individuals with greater navicular drop distance.

Toe-in Gait, Associated Complications, and Available Conservative Treatments: A Systematic Review of Literature

  • Mohammad Taghi Karimi
    • 대한족부족관절학회지
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    • 제27권1호
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    • pp.17-23
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    • 2023
  • Purpose: Toe-in gait is defined as a style of walking in which the foot turns inward. It may be caused by an increase in femoral bone anteversion, tibia torsion, and metatarsus adductus. There are some conservative treatment approaches used to correct this condition. This review aimed to determine the effects of the toe-in gait on joint loading, kinematics, and kinetic parameters while walking. Moreover, it sought to determine the efficiency of various conservative treatments used to correct the condition. Materials and Methods: A literature search was conducted in the following databases: PubMed, Institute for Scientific Information (ISI), Web of Science database, EBSCO, and Embase, using the following keywords in toe, toe-in, toeing, in-toe, pigeon toe, and conservative treatment published between 1950 and 2021. The quality of the studies was evaluated using the Down and Black tool. Results: A total of 13 papers on the impact of toe-in gait on joint contact force, kinematics, kinetic parameters, and conservative approaches to management were found. The quality of the studies varied between a score of 11 and 22. The toe-in gait influences the joint contact forces and kinematics of the joints, especially the hip and pelvis. The effects of conservative treatment on the toe-in gait appear to be controversial. Conclusion: As the toe-in gait influences the joint contact force, it may increase the incidence of degenerative joint diseases. Therefore, treatment is recommended. However, there is no strong evidence on the efficacy of conservative treatments, and there are no recommendations for the use of these treatments in subjects with toe-in gait.