• Title/Summary/Keyword: Root mean square deviation

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A combined application of molecular docking technology and indirect ELISA for the serodiagnosis of bovine tuberculosis

  • Song, Shengnan;Zhang, Qian;Yang, Hang;Guo, Jia;Xu, Mingguo;Yang, Ningning;Yi, Jihai;Wang, Zhen;Chen, Chuangfu
    • Journal of Veterinary Science
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    • v.23 no.3
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    • pp.50.1-50.12
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    • 2022
  • Background: There is an urgent need to find reliable and rapid bovine tuberculosis (bTB) diagnostics in response to the rising prevalence of bTB worldwide. Toll-like receptor 2 (TLR2) recognizes components of bTB and initiates antigen-presenting cells to mediate humoral immunity. Evaluating the affinity of antigens with TLR2 can form the basis of a new method for the diagnosis of bTB based on humoral immunity. Objectives: To develop a reliable and rapid strategy to improve diagnostic tools for bTB. Methods: In this study, we expressed and purified the sixteen bTB-specific recombinant proteins in Escherichia coli. The two antigenic proteins, MPT70 and MPT83, which were most valuable for serological diagnosis of bTB were screened. Molecular docking technology was used to analyze the affinity of MPT70, MPT83, dominant epitope peptide of MPT70 (M1), and dominant epitope peptide MPT83 (M2) with TLR2, combined with the detection results of enzyme-linked immunosorbent assay to evaluate the molecular docking effect. Results: The results showed that interaction surface Cα-atom root mean square deviation of proteins (M1, M2, MPT70, MPT83)-TLR2 protein are less than 2.5 A, showing a high affinity. It is verified by clinical serum samples that MPT70, MPT83, MPT70-MPT83 showed good diagnostic potential for the detection of anti-bTB IgG and M1, M2 can replace the whole protein as the detection antigen. Conclusions: Molecular docking to evaluate the affinity of bTB protein and TLR2 combined with ELISA provides new insights for the diagnosis of bTB.

The Structural Studies of Peptide P143 Derived from Apo B-100 by NMR

  • Lee, Ji-Eun;Kim, Gil-Hoon;Won, Ho-Shik
    • Journal of the Korean Magnetic Resonance Society
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    • v.25 no.4
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    • pp.58-63
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    • 2021
  • Apolipoprotein B-100 (apo B-100), the main protein component that makes up LDL (Low density lipoprotein), consists of 4,536 amino acids and serves to combine with the LDL receptor. The oxidized LDL peptides by malondialdehyde (MDA) or acetylation in vivo act as immunoglobulin (Ig) antigens and peptide groups were classified into 7 peptide groups with subsequent 20 amino acids (P1-P302). The biomimetic peptide P143 (IALDD AKINF NEKLS QLQTY) out of C-group peptides carrying the highest value of IgG antigens were selected for structural studies that may provide antigen specificity. Experimental results show that P143 has β-sheet in Ile[1]-Asn[9] and α-helice in Gln[16]-Tyr[20] structure. Homonuclear 2D-NMR (COSY, TOCSY, NOESY) experiments were carried out for NMR signal assignments and structure determination for P143. On the basis of these completely assigned NMR spectra and proton distance information, distance geometry (DG) and molecular dynamic (MD) were carried out to determine the structures of P143. The proposed structure was selected by comparisons between experimental NOE spectra and back-calculated 2D NOE results from determined structure showing acceptable agreement. The total Root-Mean-Square-Deviation (RMSD) value of P143 obtained upon superposition of all atoms were in the set range. The solution state P143 has a mixed structure of pseudo α-helix and β-turn(Phe[10] to Glu[12]). These results are well consistent with calculated structure from experimental data of NOE spectra. Structural studies based on NMR may contribute to the prevent oxidation studies of atherosclerosis and observed conformational characteristics of apo B-100 in LDL using monoclonal antibodies.

e-Pharmacophore modeling and in silico study of CD147 receptor against SARS-CoV-2 drugs

  • Nisha Kumari Pandit;Simranjeet Singh Mann;Anee Mohanty;Sumer Singh Meena
    • Genomics & Informatics
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    • v.21 no.2
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    • pp.17.1-17.12
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    • 2023
  • Coronavirus has left severe health impacts on the human population, globally. Still a significant number of cases are reported daily as no specific medications are available for its effective treatment. The presence of the CD147 receptor (human basigin) on the host cell facilitates the severe acute respiratory disease coronavirus 2 (SARS-CoV-2) infection. Therefore, the drugs that efficiently alter the formation of CD147 and spike protein complex could be the right drug candidate to inhibit the replication of SARS-CoV-2. Hence, an e-Pharmacophore model was developed based on the receptor-ligand cavity of CD147 protein which was further mapped against pre-existing drugs of coronavirus disease treatment. A total of seven drugs were found to be suited as pharmacophores out of 11 drugs screened which was further docked with CD147 protein using CDOCKER of Biovia discovery studio. The active site sphere of the prepared protein was 101.44, 87.84, and 97.17 along with the radius being 15.33 and the root-mean-square deviation value obtained was 0.73 Å. The protein minimization energy was calculated to be -30,328.81547 kcal/mol. The docking results showed ritonavir as the best fit as it demonstrated a higher CDOCKER energy (-57.30) with correspond to CDOCKER interaction energy (-53.38). However, authors further suggest in vitro studies to understand the potential activity of the ritonavir.

Efficacy of a Respiratory Training System on the Regularity of Breathing (호흡연습장치를 적용한 호흡교정법의 영향 평가)

  • Shin, Eun-Hyuk;Park, Hee-Chul;Han, Young-YIh;Ju, Sang-Gyu;Shin, Jung-Suk;Ahn, Yong-Chan
    • Radiation Oncology Journal
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    • v.26 no.3
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    • pp.181-188
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    • 2008
  • Purpose: In order to enhance the efficiency of respiratory gated 4-dimensional radiation therapy for more regular and stable respiratory period and amplitude, a respiration training system was designed, and its efficacy was evaluated. Materials and Methods: The experiment was designed to measure the difference in respiration regularity following the use of a training system. A total of 11 subjects (9 volunteers and 2 patients) were included in the experiments. Three different breathing signals, including free breathing (free-breathing), guided breathing that followed training software (guided-breathing), and free breathing after the guided-breathing (post guided-breathing), were consecutively recorded in each subject. The peak-to-peak (PTP) period of the breathing signal, standard deviation (SD), peak-amplitude and its SD, area of the one cycle of the breathing wave form, and its root mean square (RMS) were measured and computed. Results: The temporal regularity was significantly improved in guided-breathing since the SD of breathing period reduced (free-breathing 0.568 vs guided-breathing 0.344, p=0.0013). The SD of the breathing period representing the post guided-breathing was also reduced, but the difference was not statistically significant (free-breathing 0.568 vs. guided-breathing 0.512, p=ns). Also the SD of measured amplitude was reduced in guided-breathing (free-breathing 1.317 vs. guided-breathing 1.068, p=0.187), although not significant. This indicated that the tidal volume for each breath was kept more even in guided-breathing compared to free-breathing. There was no change in breathing pattern between free-breathing and guided-breathing. The average area of breathing wave form and its RMS in postguided-breathing, however, was reduced by 7% and 5.9%, respectively. Conclusion: The guided-breathing was more stable and regular than the other forms of breathing data. Therefore, the developed respiratory training system was effective in improving the temporal regularity and maintaining a more even tidal volume.

The Effect of Boxing Aerobic Exercise Training on Heart Rate Variability in Rest (복싱에어로빅 운동이 안정 시 심박수변이도에 미치는 영향)

  • Kwak, Yi-Sub;Kim, Eun-Young;Sim, Young-Je
    • Journal of Life Science
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    • v.19 no.2
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    • pp.271-276
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    • 2009
  • The Purpose of this study was to examine the effects of boxing aerobic training on resting heart rate variability (HRV) in females. The subjects for this study were performed 16 female college students that aged 19-23. The subjects were divided into two groups; boxing aerobic exercise group (9 students) and control group (7 students). Boxing aerobic training program was performed three times a week for twelve weeks with $VO_{2max}$ 60-80% exercise intensity. The results of this study were following; 1. Mean HRT (mean heart rate) had no signigicant difference among the groups and exercise time. 2. SDNN (standard deviation of the normal to normal interval) had no significant difference among the group and exercise time. 3. RMS-SD (square root of the mean squared differences of successive normal to normal interval) had no significant difference among the groups and exercise time. 4. TP (total power) had no significant difference among the groups and exercise time. 5. LF (low frequency) had no significant difference among the groups and exercise time. 6. HF (high frequency) had no significant difference among the groups and exercise time. 7. LF/HF (low frequence/high frequency ratio) had no significant difference among the groups and exercise time. 8. VLF (very low frequency) had no significant difference among the groups and exercise time.

Evaluation of a Nutrition Model in Predicting Performance of Vietnamese Cattle

  • Parsons, David;Van, Nguyen Huu;Malau-Aduli, Aduli E.O.;Ba, Nguyen Xuan;Phung, Le Dinh;Lane, Peter A.;Ngoan, Le Duc;Tedeschi, Luis O.
    • Asian-Australasian Journal of Animal Sciences
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    • v.25 no.9
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    • pp.1237-1247
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    • 2012
  • The objective of this study was to evaluate the predictions of dry matter intake (DMI) and average daily gain (ADG) of Vietnamese Yellow (Vang) purebred and crossbred (Vang with Red Sindhi or Brahman) bulls fed under Vietnamese conditions using two levels of solution (1 and 2) of the large ruminant nutrition system (LRNS) model. Animal information and feed chemical characterization were obtained from five studies. The initial mean body weight (BW) of the animals was 186, with standard deviation ${\pm}33.2$ kg. Animals were fed ad libitum commonly available feedstuffs, including cassava powder, corn grain, Napier grass, rice straw and bran, and minerals and vitamins, for 50 to 80 d. Adequacy of the predictions was assessed with the Model Evaluation System using the root of mean square error of prediction (RMSEP), accuracy (Cb), coefficient of determination ($r^2$), and mean bias (MB). When all treatment means were used, both levels of solution predicted DMI similarly with low precision ($r^2$ of 0.389 and 0.45 for level 1 and 2, respectively) and medium accuracy (Cb of 0.827 and 0.859, respectively). The LRNS clearly over-predicted the intake of one study. When this study was removed from the comparison, the precision and accuracy considerably increased for the level 1 solution. Metabolisable protein was limiting ADG for more than 68% of the treatment averages. Both levels differed regarding precision and accuracy. While level 1 solution had the least MB compared with level 2 (0.058 and 0.159 kg/d, respectively), the precision was greater for level 2 than level 1 (0.89 and 0.70, respectively). The accuracy (Cb) was similar between level 1 and level 2 (p = 0.8997; 0.977 and 0.871, respectively). The RMSEP indicated that both levels were on average under-or over-predicted by about 190 g/d, suggesting that even though the accuracy (Cb) was greater for level 1 compared to level 2, both levels are likely to wrongly predict ADG by the same amount. Our analyses indicated that the level 1 solution can predict DMI reasonably well for this type of animal, but it was not entirely clear if animals consumed at their voluntary intake and/or if the roughness of the diet decreased DMI. A deficit of ruminally-undegradable protein and/or a lack of microbial protein may have limited the performance of these animals. Based on these evaluations, the LRNS level 1 solution may be an alternative to predict animal performance when, under specific circumstances, the fractional degradation rates of the carbohydrate and protein fractions are not known.

Relationships of Psychological Factors to Stress and Heart Rate Variability as Stress Responses Induced by Cognitive Stressors (스트레스에 대한 심리 반응 유형과 심박변이도의 관련성)

  • Jang, Eun Hye;Kim, Ah Young;Yu, Han Young
    • Science of Emotion and Sensibility
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    • v.21 no.1
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    • pp.71-82
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    • 2018
  • Stress involves changes in behavior, autonomic function and the secretion of hormones. Autonomic nervous system (ANS) contributes to physiological adaptive process in short durations. In particular, heart rate variability (HRV) analysis is commonly used as a quantitative marker depicting the ANS activity related to mental stress. The aim of this study is to investigate correlations between psychological responses to stress and HRV indices induced by the cognitive stressor. Thirty-three participants rated their mental and physical symptoms occurred during the past two weeks on Stress Response Inventory (SRI), which is composed of seven stress factors that may influence the status of mental stress levels. Then, they underwent the psychophysiological procedures, which are collected electrocardiogram (ECG) signals during a cognitive stress task. HRV indices, the standard deviation of R-R interval (SDNN), root mean square of successive R-R interval difference (RMSSD) and low frequency (LF)/high frequency (HF) ratio were extracted from ECG signals. Physiological responses were calculated stress responses by subtracting mean of the baseline from the mean of recovery. Stress factors such as tension, aggression, depression, fatigue, and frustration were positively correlated to HRV indices. In particular, aggression had significant positive correlations to SDNN, RMSSD and LF/HF ratio. Increased aggressive responses to stress correlated with the increases of all HRV indices. This means the increased autonomic coactivation. Additionally, tension, depression, fatigue, and frustration were positively associated with RMSSD reflecting increases in parasympathetic activation. The autonomic coactivation may represent an integrated response to specific cognitive reactions such as the orienting response.

Comparative Review of the Correlation Between Electroneurography, Electromyography, Hematology Tests, or the Heart Rate Variability Test, with an Improvement in the Severity of Bell's Palsy Symptoms

  • Hwang, Ji-Min;Kim, Jun-Yeon;Kim, Ha-Na;Park, Kyeong-Ju;Jo, Min-Gi;Jang, Jun-Yeong;Nam, Sang-Soo;Goo, Bon Hyuk;Kim, Jung-Hyun;Ko, Min Jung;Chae, Sang Yeup;Park, Young Jae
    • Journal of Acupuncture Research
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    • v.38 no.3
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    • pp.192-199
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    • 2021
  • Background: In this retrospective study, we aimed to determine which diagnostic tests were associated with an improvement in Bell's palsy symptoms. Methods: There were 30 patients who visited Kyung Hee University Korean Medicine Hospital from April 1, 2017 to February 29, 2020, and who received East-West collaboration treatment for Bell's palsy. The tests included electroneurography (ENoG), electromyography (EMG), hematology, and heart rate variability (HRV) results which were used to determine if any test correlated with improvement of Bell's palsy symptoms. Results: The initial severity of symptoms did not correlate with the tests performed, with the exception of mean corpuscular hemoglobin concentration (p = 0.013). For both ENoG for oculi degeneration and mean EMG tests, the rate of nerve degeneration showed a significant negative correlation with the improvement of Bell's palsy symptoms. Amongst the HRV test indicators, the square root of the mean of the sum of the squares of differences between the adjacent normal R-R wave interval, the standard deviation of intervals, total power, very low frequency, and high frequency of the wave was negatively correlated with improvement of Bell's palsy symptoms. Similarly, glycosylated hemoglobin Type A1c (HbA1c) and erythrocyte sedimentation rate (ESR) showed a negative correlation with improvement of symptoms of Bell's palsy. With the exception of HbA1c and ESR, the remaining hematology test results showed no significant difference when comparing before and after treatment. Conclusion: ENoG, EMG, HRV test, HbA1c, and ESR negatively correlated with improvements in Bell's palsy symptoms and may determine the prognosis of Bell's palsy.

Development of a Stochastic Precipitation Generation Model for Generating Multi-site Daily Precipitation (다지점 일강수 모의를 위한 추계학적 강수모의모형의 구축)

  • Jeong, Dae-Il
    • KSCE Journal of Civil and Environmental Engineering Research
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    • v.29 no.5B
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    • pp.397-408
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    • 2009
  • In this study, a stochastic precipitation generation framework for simultaneous simulation of daily precipitation at multiple sites is presented. The precipitation occurrence at individual sites is generated using hybrid-order Markov chain model which allows higher-order dependence for dry sequences. The precipitation amounts are reproduced using Anscombe residuals and gamma distributions. Multisite spatial correlations in the precipitation occurrence and amount series are represented with spatially correlated random numbers. The proposed model is applied for a network of 17 locations in the middle of Korean peninsular. Evaluation statistics are reported by generating 50 realizations of the precipitation of length equal to the observed record. The analysis of results show that the model reproduces wet day number, wet and dry day spell, and mean and standard deviation of wet day amount fairly well. However, mean values of 50 realizations of generated precipitation series yield around 23% Root Mean Square Errors (RMSE) of the average value of observed maximum numbers of consecutive wet and dry days and 17% RMSE of the average value of observed annual maximum precipitations for return periods of 100 and 200 years. The provided model also reproduces spatial correlations in observed precipitation occurrence and amount series accurately.

A Study on Calibration Procedures for Ir-192 High Dose Rate Brachytherapy Sources (고선량률(HDR) 근접치료의 동위원소 Ir-192에 대한 측정방법에 관한 고찰)

  • Baek, Tae-Seong;Lee, Seung-Wook;Na, Soo-Kyong
    • The Journal of Korean Society for Radiation Therapy
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    • v.19 no.1
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    • pp.19-26
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    • 2007
  • Purpose: To compare of the accuracy among various measurement procedures of HDR Brachytherapy, and to evaluate the clinical suitability and usefulness of alternative PMMA (polymethylmethacrylateplastics: $C_5H_8O_2$) plate phantom without any additional cost due to the purchase of measuring apparatus. Materials and Methods: We made a comparative study on three types of measuring systems: well type chamber, source calibration jig, and PMMA plate phantom. Farmer type chamber was used for source calibration jig method and PMMA plate phantom method. Measurement was done 5 times each in comparison with the measurement values from manufacturer. Measurement results from experiment were compared with that from the manufacturer which is offered with the source whenever a source is substituted by a new one and evaluate the accuracy of source activity. Results: As a consequence of Ir-192 source measurement using well type chamber, source calibration jig and PMMA plate phantom, RMS (Root Mean Square) values for the relative error are 0.6%, 1.57%, 2.1%, respectively, compared with the data from manufacturer. And the mean errors with standard deviation are given $-0.2{\pm}0.5%$, $0.97{\pm}1.23%$, $-0.89{\pm}1.87%$ respectively. Conclusion: From the results shown by the three types of measurement system (well type chamber, source calibration jig, and PMMA plate phantom), the measurement with well type chamber produced the best accuracy. It turns out that we can also use the alternative system of PMMA plate phantom clinically without purchasing any additional particular apparatus since the system does not exceed the recommendation of AAPM (American Association of Physicists in Medicine), which requires the error range of within ${\pm}5%$.

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