• Title/Summary/Keyword: Activity Coefficient

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P56 LCK Inhibitor Identification by Pharmacophore Modelling and Molecular Docking

  • Bharatham, Nagakumar;Bharatham, Kavitha;Lee, Keun-Woo
    • Bulletin of the Korean Chemical Society
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    • v.28 no.2
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    • pp.200-206
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    • 2007
  • Pharmacophore models for lymphocyte-specific protein tyrosine kinase (P56 LCK) were developed using CATALYST HypoGen with a training set comprising of 25 different P56 LCK inhibitors. The best quantitative pharmacophore hypothesis comprises of one hydrogen bond acceptor, one hydrogen bond donor, one hydrophobic aliphatic and one ring aromatic features with correlation coefficient of 0.941, root mean square deviation (RMSD) of 0.933 and cost difference (null cost-total cost) of 66.23. The pharmacophore model was validated by two methods and the validated model was further used to search databases for new compounds with good estimated LCK inhibitory activity. These compounds were evaluated for their binding properties at the active site by molecular docking studies using GOLD software. The compounds with good estimated activity and docking scores were evaluated for physiological properties based on Lipinski's rules. Finally 68 compounds satisfied all the properties required to be a successful inhibitor candidate.

Analysis of Diethylcarbamazine and Diethylcarbamazine-N-oxide by Gas Chromatography

  • Lee, Suk-Hyang;M.S;Pharm.D
    • Archives of Pharmacal Research
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    • v.19 no.6
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    • pp.475-479
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    • 1996
  • Diethylcarbamazine (DEC, 1-diethylcarbamyl-4-methylpiperazine) is an antiparasitic piperazine derivative used in the treatment of lymphatic filariasis caused by Wuchereria bancrofti, Brugia malayi or grugia timori. DEC-N-oxide is a major metabolite in humans and has antifilarial activity. In carrying out pharmacokinetic studies, gas chromatographic analysis of DEC in plasma can be complicated by the presence of the metabolite, since the thermally unstable DEC-N-oxide is converted back to a material which coelutes with DEC under the conditions of the analysis. We now report a method to separate DEC-N-oxide from DEC in plasma using solid phase extraction with subsequent gas chromatographic analysis using a nitrogen specific detector. One-diethylcarbamyl-4-ethylpiperazine (E-DEC) was the internal standard. The standard curve of DEC was linear in the range of 10 to 200 ng/ml as described by Y=0.0350+0.0128X, $R^2=0.999$. The limit of quantitation was 4 ng/mL. Reproducibility at 10, 100 and 200 ng/mL concentration points of the standard curve gave coefficient variations of 6.1%, 7.8% and 1.6%, respectively. The recovery following solid phase extraction was 99.3% for DEC and 94.8% for the internal standard. This sensitive and specific analytical method is suitable for pharmacokinetic studies of DEC.

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Moisture Sorption Isotherm Characteristics of Chaga Mushroom Powder as Influenced by Particle Size

  • Lee, Min-Ji;Lee, Jun-Ho
    • Food Science and Biotechnology
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    • v.16 no.1
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    • pp.154-158
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    • 2007
  • Adsorption isotherms for chaga mushroom powder as influenced by particle size were investigated using a gravimetric technique. Samples were equilibrated in desiccators containing sulfuric acid solutions of known water activity (0.11-0.93), then placed in temperature-controlled chambers for approximately ten days. Equilibrium moisture content (EMC) of chaga mushroom powder increased with water activity in all samples. EMC was slightly greater in the samples comprised of smaller particle size, however there was no marked difference in appearance between the three samples. The chaga mushroom powder exhibited Type II behavior. When the BET model was used to determine mean monolayer values, 0.077, 0.077, and 0.070 $H_2O/dry$ solid was observed for <250, 250-425, and $425-850\;{\mu}m$ sized samples, respectively, however mean monolayer values were 0.121, 0.111, and 0.101 $H_2O/dry$ solid, respectively, when the GAB model was used. The experimental EMC values were related to the computed values from Henderson's model. The coefficient of determination and standard error for the linear regression were 0.997 and 0.003, respectively.

Study of the Wearable Electrocardiogram Measuring System using Capacitive-coupled Electrode (정전 용량성 결합 전극을 이용한 웨어러블 심전도 측정 시스템 설계에 관한 연구)

  • Lee, Jae-Ho;Lee, Young-Jae;Lee, Kang-Hwi;Kang, Seng-Jin;Kim, Kyeung-Nam;Park, Hee-Jung;Lee, Jeong-Whan
    • The Transactions of The Korean Institute of Electrical Engineers
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    • v.63 no.10
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    • pp.1448-1454
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    • 2014
  • In this study, a new type of electrode device is implemented to measure the capacitance energy and interpret it as the ECG (Electrocardiogram) data. The main idea of this new electrode system is to estimate the capacitance on the skin by assembling a capacitive-coupled circuits and translate into the ECG signal. To measure the coupling energy and estimate the aquired data in terms of heart activity, the capacitive-coupled electrode is garmented with fabrics in the form of a chest band or a vest jacket. To compare the ECG data from the capacitive-coupled electrode with the conventional electrode(Ag-AgCl) system, the corelation coefficient between two signals is computed as 0.9517. Thus, we can conclude the fact that capacitive-coupled electrode system can measure a person's heart activity without any contact to his or her skin and can the interpreted as the ECG data.

Development of a UPLC-MS/MS method for the therapeutic monitoring of L-asparaginase

  • Jeong, Hyeon-Cheol;Kim, Therasa;Yang, Deok-Hwan;Shin, Kwang-Hee
    • Translational and Clinical Pharmacology
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    • v.26 no.3
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    • pp.134-140
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    • 2018
  • This study aimed to develop a UPLC-MS/MS method for determining plasma levels of L-aspartic acid and L-asparagine and the activity of L-asparaginase. L-aspartic acid, L-asparagine, and L-aspartic acid-2,3,3-$d_3$ were extracted from human plasma by protein precipitation with sulfosalicylic acid (30%, v/v). The plasma samples were analyzed using an Imtakt Intrada amino acid analysis column with 25 mM ammonium formate and 0.5% formic acid in acetonitrile as the mobile phase with step gradient method at a flow rate of 0.5 mL/min. The injection volume was $5{\mu}L$, and the total run time was 15 min. Inter- and intra-batch accuracies (%) ranged from 96.62-106.0% for L-aspartic acid and 89.85-104.8%, for L-asparagine, and the coefficient of variation (CV%) did not exceed 7%. The validation results for L-aspartic acid and L-asparagine satisfied the specified criterion, however, the results for L-asparaginase activity assay showed a borderline validity. This study could be a foundation for further development of therapeutic drug monitoring systems using UPLC-MS/MS.

Double-Talk Detection Based on Soft Decision for Acoustic Echo Suppression (음향학적 반향 제거를 위한 Soft Decision 기반의 동시통화 검출)

  • Park, Yun-Sik;Chang, Joon-Hyuk
    • The Journal of the Acoustical Society of Korea
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    • v.28 no.3
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    • pp.285-289
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    • 2009
  • In this paper, we propose a novel double-talk detection (DTD) technique based on soft decision in the frequency domain. In the proposed method, global near-end speech presence probability (GNSPP) considering the statistical model assumption and voice activity detection (VAD) decision of the near-end and far-end signal are applied to the DTD algorithm in the frequency domain instead of the traditional hard decision scheme using cross-correlation coefficients. The performance of the proposed algorithm is evaluated by the objective test under various environments, and yields better results compared with the conventional scheme.

Prediction Model for Reduced Bone mass in Women using Individual Characteristics & Life Style Factors (여성의 개인적 특성과 생활양식요인을 이용한 골량감소 예측모형)

  • Lee, Eun-Nam;Lee, Eun-Ok
    • Journal of muscle and joint health
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    • v.5 no.1
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    • pp.83-109
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    • 1998
  • This study was carried out to identify the Important modifiable risk factors for reduced bone mass and to construct prediction model which can classify women with either low or high bone mass. Through the literature review, individual characteristics such as age, body weight, height, education level, family history, age of menarche, postmenopausal period, gravity, parity, menopausal status, and breast feeding period were identified and factors of life style such as past milk consumption, past physical activity, present daily activity, present calcium intake, alcohol intake, cigarette smoking, coffee consumption were identified as influencing factors of reduced bone mass in women. Four hundred and eighty women aged between 28 and 76 who had given measurement bone mineral density by dual energy x-ray absortiometry in lumbar vertebrae and femur from July to October, 1997 at 4 general hospitals in Seoul and Pusan were selected for this study. Women were excluded if they had a history of any chronic illness such as rheumatoid arthritis, diabetes mellitus, hyperthroidism, & gastrointestinal disorder and any medication such as calcium supplements, calcitonin, estrogen, thyroxine, antacids, & corticosteroids known affect bone. As a result of these exclusion criteria, four hundred and seventeen women were used for analysis. Multiple logistic regression model was developed for estimating the likelihood of the presence or absence of reduced bone mass. A SAS procedure was used to estimate risk factor coefficient. The results are as follows For lumbar spine, the variables significant were age, body weight, menopause status, daily activity, past milk consumption, and past physical activity(p<0.01), while for femoral Ward's triangle, age, body weight, level of education, past milk consumption, past physical activity(p<0.001). Past physical activity, present daily activity and past milk consumption are the most powerful modifiable predictors in vertebrae and femur among the predictors. When the model performance was evaluated by comparing the observed outcome with predicted outcome, the model correctly identified 74.1% of persons with reduced bone mass and 84.5% of persons with normal bone mass in the lumbar vertebrae and 82.9% of persons with reduced bone mass and 75.0% of persons with normal bone mass in the femoral Ward's triangle. On the basis of these results, a number of recommendations for the management of reduced bone mass may be made : First, those woman who are classified as high risk group of the reduced bone mass in the prediction model should examine the bone mineral density to further examine the usefulness of this model. Second, the optimal amount of milk consumption and a regular weight bearing exercise in childhood, adolescence, and early adult should be ensured.

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The Relationships Between Valgus Collapse Knee Position and Quadriceps Activity During a Single Limb Step Down in Female Subjects (젊은 여성의 한쪽 다리 스텝다운 동작 시 슬관절 외반 정도와 대퇴사두근 근활성도 간의 상관관계)

  • Lee, Se-Hee;Moon, Young;Song, Ji-Hyun;Kim, Suhn-Yeop;Jang, Hyun-Jeong
    • The Journal of Korean Academy of Orthopedic Manual Physical Therapy
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    • v.18 no.2
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    • pp.41-47
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    • 2012
  • Background: This study was designed to investigate the correlation between electromyography (EMG) activities in the vastus medialis oblique (VMO) vs vastus lateralis (VL) activity ratio and the valgus collapse knee position while stepping down. Methods: Twenty healthy women volunteered to participate in this study. We measured the frontal-plane projections of the knee valgus angle, knee valgus distance, and hip adduction angle by using a digital camcorder. After 3 repetitions of the step down (dominant side) exercise, the findings of the static and dynamic phases were analyzed. EMG activities data of the VMO:VL activity ratio were recorded during the step down exercise and were normalized to the maximal voluntary isometric contraction (MVIC) of the quadriceps. A paired t-test was used to compare the findings of the static and dynamic phases. We analyzed the Spearman's rank order correlation coefficient between the and VMO:VL ratio. Results: Hip adduction angle, knee valgus angle, VMO activity, VL activity, VMO:VL activity ratio were statistically higher in the dynamic phase than in the static phase (p<.05). Frontal-plane projections of knee valgus angle were significantly correlated with hip adduction angle (r=.459, p<.05) and knee valgus distance (r=.505, p<.05). However, the EMG activity ratio of the VMO and the VL did not show a significant change during step down exercise with respect to hip adduction angle (p=.875), knee valgus angle (p=.618), and knee valgus distance (p=.701). Conclusion: The results from this study indicate that frontal-plane projections of knee valgus angle were associated with hip adduction angle and knee valgus distance. On the basis of these results, the knee valgus distance may be used to determine the valgus collapse knee position while stepping down.

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An Analysis of the Characteristics of Elementary Science Gifted Students' Problem Solving through Model Eliciting Activity(MEA) (Model Eliciting Activity(MEA)를 통한 초등 과학영재들의 문제해결 특성 분석)

  • Yoon, Jin-A;Han, Gum-ju;Nam, Younkyeng
    • Journal of the Korean Society of Earth Science Education
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    • v.12 no.1
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    • pp.64-81
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    • 2019
  • The purpose of this study is to analyze elementary science gifted students' characteristics of the thinking in the problem solving process through a MEA(Model Eliciting Activity)activity. The subjects of this study are 40 elementary science gifted students who passed the first screen for the admission to the science gifted education institute in P university in 2018. The MEA activity was 'Coffee cup challenge', which is to find the best way to place cup side and bottom to save paper in a given material. Three drawings from each student and explanations of each drawing through out the design process were collected as the main data source. The data were analyzed by statistically (correlation coefficient) and qualitatively to find the relationship between; 1) the intuitive thinking and visual representation and 2) analytical thinking ability and communication skills that reflect MEA activities. In conclusion, first, intuitive thinking plays an important role in the ability of visual representation through pictures and the whole problem solving process. Second, the analytical thinking and elaboration process which are reflected through reflection on the arrangement of the drawings have a great influence on the communication skills. Therefore, this study investigated that MEA activities are useful activities to stimulate both intuitive and analytical thinking in elementary science gifted students, and to develop communication ability, by organizing their own ideas and providing learning opportunities for various solutions.

Relationship between Lower -Limb Joint Angle and Muscle Activity due to Saddle Height during Cycle Pedaling (사이클 페달링 시 안장높이에 따른 하지관절 각도와 근육활성화의 상관관계)

  • Seo, Jeong-Woo;Choi, Jin-Seung;Kang, Dong-Won;Bae, Jae-Hyuk;Tack, Gye-Rae
    • Korean Journal of Applied Biomechanics
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    • v.22 no.3
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    • pp.357-363
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    • 2012
  • The purpose of this study was to investigate the effects of different saddle heights on lower-limb joint angle and muscle activity. Six elite cyclists(age: $32.2{\pm}5.2years$, height: $171.0{\pm}3.5cm$, weight: $79.7{\pm}5.6kg$, cycle career: $13{\pm}6.2years$) participated in three min. submaximal(90 rpm) pedaling tests with the same load and cadence based on saddle heights where subject's saddle height was determined by his knee flexion angle when the pedal crank was at the 6 o'clock position. Joint angles(hip, knee, ankle joints) and the activity of lower limb muscles(biceps femoris(BF), vastus lateralis(VL), tibialis anterior(TA) and gastrocnemius medial(GM)) were compared by measuring 3D motion and electromyography(EMG) data. Results showed that there were significant differences in minimum hip & knee joint angle and range of motion of hip and knee joint between saddle heights. Onset timing and integrated EMG of only BF among 4 muscles were significantly different between saddle heights. Especially there was a negative relationship between minimum hip joint angle and onset timing of BF in most subject, which means that onset timing of BF became fast as the degree of bending of the hip joint became larger by saddle height. Optimal pedaling will be possible through increased amount of muscle activation due to the appropriate burst onset timing by proper pedaling posture with adjusted saddle height.