• Title/Summary/Keyword: Human dynamics

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Novel DOT1L ReceptorNatural Inhibitors Involved in Mixed Lineage Leukemia: a Virtual Screening, Molecular Docking and Dynamics Simulation Study

  • Raj, Utkarsh;Kumar, Himansu;Gupta, Saurabh;Varadwaj, Pritish Kumar
    • Asian Pacific Journal of Cancer Prevention
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    • v.16 no.9
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    • pp.3817-3825
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    • 2015
  • Background: The human protein methyl-transferase DOT1L catalyzes the methylation of histone H3 on lysine 79 (H3K79) at homeobox genes and is also involved in a number of significant processes ranging from gene expression to DNA-damage response and cell cycle progression. Inhibition of DOT1L activity by shRNA or small-molecule inhibitors has been established to prevent proliferation of various MLL-rearranged leukemia cells in vitro, establishing DOT1L an attractive therapeutic target for mixed lineage leukemia (MLL). Most of the drugs currently in use for the MLL treatment are reported to have low efficacy, hence this study focused on various natural compounds which exhibit minimal toxic effects and high efficacy for the target receptor. Materials and Methods: Structures of human protein methyl-transferase DOT1L and natural compound databases were downloaded from various sources. Virtual screening, molecular docking, dynamics simulation and drug likeness studies were performed for those natural compounds to evaluate and analyze their anti-cancer activity. Results: The top five screened compounds possessing good binding affinity were identified as potential high affinity inhibitors against DOT1L's active site. The top ranking molecule amongst the screened ligands had a Glide g-score of -10.940 kcal/mol and Glide e-model score of -86.011 with 5 hydrogen bonds and 12 hydrophobic contacts. This ligand's behaviour also showed consistency during the simulation of protein-ligand complex for 20000 ps, which is indicative of its stability in the receptor pocket. Conclusions: The ligand obtained out of this screening study can be considered as a potential inhibitor for DOT1L and further can be treated as a lead for the drug designing pipeline.

3-D Inverse Dynamics Analysis of the Effect of Maximum Muscle Force Capacities on a Musculoskeletal System

  • Han, Kap-Soo;Kim, Kyungho
    • Journal of Electrical Engineering and Technology
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    • v.9 no.5
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    • pp.1774-1779
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    • 2014
  • It is known that muscle strength of human body can alter or deteriorate as aging. In this study, we present an inverse dynamics simulation to investigate the effect of muscle strength on performing the daily activities. A 3D musculoskeletal model developed in this study includes several segments of whole body, long and short muscles, ligaments and disc stiffness. Five daily activities such as standing, flexion, finger tip to floor, standing lift close and lifting flexed were simulated with varying the maximum muscle force capacities (MFC) of each muscle fascicles from 30 to $90N/cm^2$ with an increment of $30N/cm^2$. In the result, no solution can be obtained for finger tip to floor and lifting flexed with $30N/cm^2$. Even though the solution was available for standing lift close activity in case of $30N/cm^2$ capacity, many of muscle fascicles hit the upper bound of muscle strength which means that it is not physiologically possible to perform the acvities in reality. For lifing flexed, even the case of $60N/cm^2$ capaciy, represents the moderate healthy people, was not able to find the solutions, showing that 18 muscles among 258 muscle fascicles reached 100% of muscle capacity. The estimated results imply that people who have low muscle strength such as elders or rehabilitation patients were required higher muscle work to perform and maintain the same daily activities than healthy one.

The Influence of Human Capital on GDP Dynamics: Modeling in the COVID-19 Conditions

  • Derii, Zhanna;Zosymenko, Tetiana;Shaposhnykov, Kostiantyn;Tochylina, Yuliia;Krylov, Denys;Papaika, Oleksandr
    • International Journal of Computer Science & Network Security
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    • v.22 no.3
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    • pp.67-76
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    • 2022
  • COVID-19 struck labor markets around the world, exposing and exacerbating the gender inequalities within the human capital structure. The last, in its turn, jeopardizes the return of the national economies to the growth trajectory undermined by pandemic impact. The authors assume that COVID-19 disproportionately affected the employment rates of women and men, which led to increased gender inequality in the labor market, which, in turn, affected GDP growth rates in the EU. To prove this hypothesis two research questions are discovered: 1) whether there was a different correlation between the number of COVID-19 cases in the EU and indicators of the labor market for women and men; and 2) whether there was a link between the growth of gender inequality in the EU labor market and the GDP dynamics in these countries. The analysis of the correlation between the number of cases of COVID-19 and indicators of the labor market in the EU revealed faster growth of women's unemployment rates compared to men's ones as the COVID-19 incidence unfolded. Multiple linear regression and factor analysis have been used to investigate the influence of gender inequality in the labor market on GDP dynamics. Despite the methodological limitations, the proposed model is both a sound argument and an analytical basis in favor of gender-responsive economic recovery backed by the systematic and consistent gender equality policy of a government.

Analysis of Building Emergency Evacuation Process with Interactions in Human Behaviors (화재 시 재실자 행동의 상호 작용을 고려한 건물 피난 행태 분석)

  • Choi, Minji;Park, Moonseo;Lee, Hyun-Soo;Hwang, Sungjoo
    • Korean Journal of Construction Engineering and Management
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    • v.14 no.6
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    • pp.49-60
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    • 2013
  • Evacuation process has been considered as one of the most important elements to be managed in public facilities. Although the importance is highlighted through numerous literatures, disaster evacuation planning, particularly fire accidents, faces a number of human behavior related limitations for a similar application to different types of facilities/occupants. To overcome the obstacles including complexity in human behaviors, a number of simulation techniques with limited consideration on human behaviors are utilized to predict foreseeable problems in evacuation process. Therefore, this research aims to propose system dynamics models incorporating human behaviors considering different types of occupants under disaster evacuation events. Analysis on emergent human behaviors such as group forming and interactions under urgent situation are conducted based on the main stream theories in social science field. The results suggest the influences of human behavior factors including cooperative intention, information sharing, and mobility change to evacuation behavior. The implications are expected to provide safety consideration at planning/designing phase of buildings and help facility safety managers for evacuation planning with more realistic management approaches.

Numerical Analysis on the Flow Characteristics Considering the Inspiratory Flow Rate in a Human Airway (수치해석 기법을 이용한 호흡 유량에 따른 사람의 기도 내 유동 특성 연구)

  • Sung, Kun Hyuk;Ryou, Hong Sun
    • Journal of Biomedical Engineering Research
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    • v.33 no.4
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    • pp.177-183
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    • 2012
  • The inspiratory flow rate of a human is changed with the amount of the workload. The flow characteristic is affected by the inspiratory flow rate. In the flow field of airway, the both of turbulence intensity and secondary flow affect the deposition pattern of particles which is important for the drug-aerosol targeting. Thus the analysis of the flow characteristic in a human airway is important. The purpose of this study is to investigate the effects of the inspiratory flow rate on the flow characteristics in a human airway. The tubular airway is consistent with the oral cavity, pharynx, larynx and trachea. The relatively inspiratory flow rate is used at each case of human states regarding the workload. By the effect of geometric airway changes, transition to turbulent airflow after the larynx can occur with relaminarization further downstream. The low Reynolds number k-${\omega}$ turbulence model is used for analysis with flow regime. As the inspiratory flow rate is larger, the turbulence kinetic energy and secondary flow intensity increase in airway. On the other hand, the area of recirculation zone is smaller.

Developing a common socio-hydrological model based on the value-belief-norm theory

  • Akshita krithi Sobbhun;Hanseok Jeong
    • Proceedings of the Korea Water Resources Association Conference
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    • 2023.05a
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    • pp.431-431
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    • 2023
  • In recent decades, the socio-hydrology community has developed several socio-hydrological frameworks to understand the complexity of the coupled human-water system. Although there have been efforts to relate sociology and hydrology, there still have been some insights that remain debatable. As for this study, the Value-belief-norm theory was used to represent the human behavior in order to connect the human-water system. The theoretical framework of values, beliefs and norms was developed to understand the human culture towards the environment. In addition to the theory, norms are legislation of human behavior in the society while the values are the guiding principle to motivate beliefs and norms. The overview of this study implied on developing a socio-hydrological model consisting of the four systems defined as hydrology, socio-economy, technology and institutional. The interconnectors between the four systems are the key variables and parameters representing a module namely the causal loop diagram. Moreover, water quality, size of population, infrastructure capacity and norms are the key variables to connect the four systems. The developed model will be applied to Han River to represent the coevolutionary of the dynamics of human-water systems.

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Synchronization of Dynamical Happiness Model

  • Bae, Youngchul
    • International Journal of Fuzzy Logic and Intelligent Systems
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    • v.14 no.2
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    • pp.91-97
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    • 2014
  • Chaotic dynamics is an active research area in fields such as biology, physics, sociology, psychology, physiology, and engineering. Interest in chaos is also expanding to the social sciences, such as politics, economics, and societal events prediction. Most people pursue happiness, both spiritual and physical in many cases. However, happiness is not easy to define, because people differ in how they perceive it. Happiness can exist in mind and body. Therefore, we need to be happy in both simultaneously to achieve optimal happiness. To do this, we need to synchronize mind and body. In this paper, we propose a chaotic synchronization method in a mathematical model of happiness organized by a second-order ordinary differential equation with external force. This proposed mathematical happiness equation is similar to Duffing's equation, because it is derived from that equation. We introduce synchronization method from our mathematical happiness model by using the derived Duffing equation. To achieve chaotic synchronization between the human mind and body, we apply an idea of mind/body unity originating in Oriental philosophy. Of many chaotic synchronization methods, we use only coupled synchronization, because this method is closest to representing mind/body unity. Typically, coupled synchronization can be applied only to non-autonomous systems, such as a modified Duffing system. We represent the result of synchronization using a differential time series mind/body model.

Calculation of the Absolute Rate of Human Cu/Zn Superoxide Dismutases from Atomic-Level Molecular Dynamics Simulations

  • Lee, Jin-Uk;Lee, Woo-Jin;Park, Hwang-Seo;Lee, Sang-Youb
    • Bulletin of the Korean Chemical Society
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    • v.33 no.3
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    • pp.862-868
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    • 2012
  • Based on the recently derived general expression for the rates of diffusion-controlled reactions, we calculate the rates of dismutation of the superoxide anion radical catalyzed by Cu/Zn superoxide dismutases (SOD). This is the first attempt to calculate the absolute rates of diffusion-controlled enzyme reactions based on the atomiclevel molecular dynamics simulations. All solvent molecules are included explicitly and the effects of the structural flexibility of enzyme, especially those of side chain motions near the active site, are included in the present calculation. In addition, the actual mobility of the substrate molecule is taken into account, which may change as the molecule approaches the active site of enzyme from the bulk solution. The absolute value of the rate constant for the wild type SOD reaction obtained from MD simulation is shown to be in good agreement with the experimental value. The calculated reactivity of a mutant SOD is also in agreement with the experimental result.

Investigation of Visual Perception Under Zen-Meditation Based On Alpha-Dependent F-VEPs

  • Liao, Hsien-Cheng;Liu, Chuan-Yi;Lo, Pei-Chen
    • Journal of Biomedical Engineering Research
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    • v.27 no.6
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    • pp.384-391
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    • 2006
  • Variation of brain dynamics under Zen meditation has been one of our major research interests for years. One issue encountered is the inaccessibility to the actual meditation level or stage as a reference. In this paper, we propose an alternative strategy for investigating the human brain in response to external flash stimuli during Zen meditation course. To secure a consistent condition of the brain dynamics when applying stimulation, we designed a recording of flash visual evoked potentials (F-VEPs) based on a constant background EEG (electroencephalograph) frontal $\alpha-rhythm$ dominating activities that increase significantly during Zen meditation. Thus the flash-light stimulus was to be applied upon emergence of the frontal $\alpha-rhythm$. The alpha-dependent F-VEPs were then employed to inspect the effect of Zen meditation on brain dynamics. Based on the experimental protocol proposed, considerable differences between experimental and control groups were obtained. Our results showed that amplitudes of P1-N2 and N2-P2 on Cz and Fz increased significantly during meditation, contrary to the F-VEPs of control group at rest. We thus suggest that Zen meditation results in acute response on primary visual cortex and the associated parts.

A Numerical Study of the Performance of a Contoured Shock Tube for Needle-free Drug Delivery

  • Rasel, Md. Alim Iftekhar;Kim, Heuy Dong
    • Journal of the Korean Society of Visualization
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    • v.10 no.2
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    • pp.32-38
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    • 2012
  • In recent years a unique drug delivery system named as the transdermal drug delivery system has been developed which can deliver drug particles to the human skin without using any external needle. The solid drug particles are accelerated by means of high speed gas flow through a shock tube imparting enough momentum so that particles can penetrate through the outer layer of the skin. Different systems have been tried and tested in order to make it more convenient for clinical use. One of them is the contoured shock tube system (CST). The contoured shock tube consists of a classical shock tube connected with a correctly expanded supersonic nozzle. A set of bursting membrane are placed upstream of the nozzle section which retains the drug particle as well as initiates the gas flow (act as a diaphragm in a shock tube). The key feature of the CST system is it can deliver particles with a controllable velocity and spatial distribution. The flow dynamics of the contoured shock tube is analyzed numerically using computational fluid dynamics (CFD). To validate the numerical approach pressure histories in different sections on the CST are compared with the experimental results. The key features of the flow field have been studied and analyzed in details. To investigate the performance of the CST system flow behavior through the shock tube under different operating conditions are also observed.