• 제목/요약/키워드: Interaction potential

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Transport Properties of Lennard-Jones Mixtures: A Molecular Dynamics Simulation Study

  • Lee, Song-Hi
    • Bulletin of the Korean Chemical Society
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    • 제29권3호
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    • pp.641-646
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    • 2008
  • Equilibrium molecular dynamics simulations in a canonical ensemble are performed to evaluate the transport coefficients of several Lennard-Jones (LJ) mixtures at a liquid argon states of 94.4 K and 1 atm via modified Green-Kubo formulas. Two component mixture of A and B is built by considering the interaction between A and A as the attractive (A) potential, that between A and B as the attractive potential (A), and that between B and B as the repulsive potential (R), labelled as AAR mixture. Three more mixtures - ARA, ARR, and RAR are created in the same way. The behavior of the LJ energy and the transport properties for all the mixtures is easily understood in terms of the portion of attractive potential (A %). The behavior of the thermal conductivities by the translational energy transport due to molecular motion exactly coincides with that of diffusion constant while that of the thermal conductivities by the potential energy transport due to molecular motion is easily understood from the fact that the LJ energy of AAR, ARR, and RAR mixtures increases negatively with the increase of A % from that of the pure repulsive system while that of ARA changes rarely.

Performance Analysis of Multiple Wave Energy Converters due to Rotor Spacing

  • Poguluri, Sunny Kumar;Kim, Dongeun;Ko, Haeng Sik;Bae, Yoon Hyeok
    • 한국해양공학회지
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    • 제35권3호
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    • pp.229-237
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    • 2021
  • A numerical hydrodynamic performance analysis of the pitch-type multibody wave energy converter (WEC) is carried out based on both linear potential flow theory and computational fluid dynamics (CFD) in the unidirectional wave condition. In the present study, Salter's duck (rotor) is chosen for the analysis. The basic concept of the WEC rotor, which nods when the pressure-induced motions are in phase, is that it converts the kinetic and potential energies of the wave into rotational mechanical energy with the proper power-take-off system. This energy is converted to useful electric energy. The analysis is carried out using three WEC rotors. A multibody analysis using linear potential flow theory is performed using WAMIT (three-dimensional diffraction/radiation potential analysis program), and a CFD analysis is performed by placing three WEC rotors in a numerical wave tank. In particular, the spacing between the three rotors is set to 0.8, 1, and 1.2 times the rotor width, and the hydrodynamic interaction between adjacent rotors is checked. Finally, it is confirmed that the dynamic performance of the rotors slightly changes, but the difference due to the spacing is not noticeable. In addition, the CFD analysis shows a lateral flow phenomenon that cannot be confirmed by linear potential theory, and it is confirmed that the CFD analysis is necessary for the motion analysis of the rotor.

Unveiling the Gastrointestinal Microbiome Symphony: Insights Into Post-Gastric Cancer Treatment Microbial Patterns and Potential Therapeutic Avenues

  • Chan Hyuk Park
    • Journal of Gastric Cancer
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    • 제24권1호
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    • pp.89-98
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    • 2024
  • This review delved into the intricate relationship between the gastrointestinal microbiome and gastric cancer, particularly focusing on post-treatment alterations, notably following gastrectomy, and the effects of anticancer therapies. Following gastrectomy, analysis of fecal samples revealed an increased presence of oral cavity aerotolerant and bile acid-transforming bacteria in the intestine. Similar changes were observed in the gastric microbiome, highlighting significant alterations in taxon abundance and emphasizing the reciprocal interaction between the oral and gastric microbiomes. In contrast, the impact of chemotherapy and immunotherapy on the gut microbiome was subtle, although discernible differences were noted between treatment responders and non-responders. Certain bacterial taxa showed promise as potential prognostic markers. Notably, probiotics emerged as a promising approach for postgastrectomy recovery, displaying the capacity to alleviate inflammation, bolster immune responses, and maintain a healthy gut microbiome. Several strains, including Bifidobacterium, Lactobacillus, and Clostridium butyricum, exhibited favorable outcomes in postoperative patients, suggesting their potential roles in comprehensive patient care. In conclusion, understanding the intricate interplay between the gastrointestinal microbiome and gastric cancer treatment offers prospects for predicting responses and enhancing postoperative recovery. Probiotics, with their positive impact on inflammation and immunity, have emerged as potential adjuncts in patient care. Continued research is imperative to fully harness the potential of microbiome-based interventions in the management of gastric cancer.

Maxent 모형을 이용한 서식지 잠재력 평가 - 하천으로부터의 거리, 하천의 차수, 토지이용을 중심으로- (Habitat Potential Evaluation Using Maxent Model - Focused on Riparian Distance, Stream Order and Land Use -)

  • 이동근;김호걸
    • 한국환경복원기술학회지
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    • 제13권6호
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    • pp.161-172
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    • 2010
  • As the interest on biodiversity has increased around the world, researches about evaluating potential for habitat are also increasing to find and comprehend the valuable habitats. This study focus on comprehending the significance of stream in evaluating habitat's potential. The purpose of this study is to evaluate habitat potential with applying stream as a main variable, and to comprehend the relationship between the variables and habitat potential. Basin is a unit that has hydrological properties and dynamic interaction with ecosystem. Especially, biodiversity and suitability of habitat in basin area has direct correlation with stream. Existing studies also are proposing for habitat potential evaluation in basin unit, they applied forest, slope and road as main variables. Despite stream is considered the most important factor in basin area, researchers haven't applied stream as a main variable. Therefore, in this study, three variables that can demonstrate hydrological properties are selected, which are, riparian distance, stream order and land use disturbance, and evaluate habitat potential. Habitat potential is analyzed by using Maxent (Maximum entropy model), and vertebrate's presence data is used as dependent variables and stream order map and land cover map is used as base data of independent variables. As a result of analysis, habitat potential is higher at riparian and upstream area, and lower at frequently disturbed area. Result indicates that adjacent to stream, upstream, and less disturbed area is the habitat that vertebrate prefer. In particular, mammals prefer adjacent area of stream and forest and reptiles prefer upriver area. Birds prefer adjacent area of stream and midstream and amphibians prefer adjacent area of stream and upriver. The result of this research could help to establish habitat conservation strategy around basin unit in the future.

Electrophoretic Mobility to Monitor Protein-Surfacant Interactions

  • Hong, Soon-Taek
    • Preventive Nutrition and Food Science
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    • 제3권2호
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    • pp.143-151
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    • 1998
  • Protein -surfactant interactions have been investigate by measuring ζ-potential of $\beta$-lactoglobulin-coated emulsion droplets and $\beta$-lactoglobulin in solution in the rpesenceof surfactant, with particular emphasis on the effect of protein heat treatment(7$0^{\circ}C$, 30min). When ionic surfactant (SDS or DATEM) is added to the protein solution, the ζ-potential of the mixture is found to increase with increasing surfactant concentration, indicating surfactant binding to the protein molecules. For heat-denatured protein,it has been observed that the ζ-potential tends to be lower than that of the native protein. The effect of surfactant on emulsions is rather complicated .With SDS, small amounts of surfactant addition induce a sharp increase in zeta potential arising from the specific interaction of surfactant with protein. With further surfacant addition, there is a gradual reductio in the ζ-potential, presumably caused by the displacement of adsorped protein (and protein-surfactant complex) from the emulsion droplet surfac by the excess of SDS molecules. At even higher surfactant concentrations, the measured zeta potential appears to increase slightly, possibly due to the formation of a surfactant measured zeta potential appears to increase slightly, possibly due to the formation of surfactant micellar structure at the oil droplet surface. This behaviour contrastswith the results of the corresponding systems containing the anionic emulsifier DATEM, in which the ζ-potential of the system is found to increase continuously with R, particularly at very low surfactant concentration. Overall, such behaviour is consisten with a combination of complexation and competitive displacement between surfactant and protein occurring at the oil-water interface. In addition, it has also been found that above the CMC, there is a time-dependent increase in the negative ζ-potential of emulsion droplets in solutions of SDS, possibly due to the solublization of oil droplets into surfactant micelles in the aqueous bulk phase.

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전향도가 큰 축류터보기계의 블레이드 주위의 유동해석 (Analysis of Two-Dimensional Flow around Blades with Large Deflection in Axial Turbomachine)

  • 원승호;손병진;최상경
    • 대한기계학회논문집
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    • 제15권1호
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    • pp.229-240
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    • 1991
  • 본 연구에서 사용한 이론과 제시된 방법의 타당성을 검토하기 위하여 익열 간 극이 무한대인 단일 익형 주위의 유동장을, 최근에 개발된 계산방법인 Lambda방법을 사용한 Dadone의 해석결과와 비교하였고, 범용의 압축기 익형인 NACA65게열 익열 유동 에 대한 Herrig의 실험값, 그리고 미분해석에 의한 점성-비점성 상호작용 방법을 사용 한 Hansen의 계산값고, 이들 조건과 동일한 상태에서 본 연구에서 제시한 방법으로 계 산한 결과와 만족할 만한 일치를 얻었다.

Prediction of pharmacokinetics and drug-drug interaction potential using physiologically based pharmacokinetic (PBPK) modeling approach: A case study of caffeine and ciprofloxacin

  • Park, Min-Ho;Shin, Seok-Ho;Byeon, Jin-Ju;Lee, Gwan-Ho;Yu, Byung-Yong;Shin, Young G.
    • The Korean Journal of Physiology and Pharmacology
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    • 제21권1호
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    • pp.107-115
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    • 2017
  • Over the last decade, physiologically based pharmacokinetics (PBPK) application has been extended significantly not only to predicting preclinical/human PK but also to evaluating the drug-drug interaction (DDI) liability at the drug discovery or development stage. Herein, we describe a case study to illustrate the use of PBPK approach in predicting human PK as well as DDI using in silico, in vivo and in vitro derived parameters. This case was composed of five steps such as: simulation, verification, understanding of parameter sensitivity, optimization of the parameter and final evaluation. Caffeine and ciprofloxacin were used as tool compounds to demonstrate the "fit for purpose" application of PBPK modeling and simulation for this study. Compared to caffeine, the PBPK modeling for ciprofloxacin was challenging due to several factors including solubility, permeability, clearance and tissue distribution etc. Therefore, intensive parameter sensitivity analysis (PSA) was conducted to optimize the PBPK model for ciprofloxacin. Overall, the increase in $C_{max}$ of caffeine by ciprofloxacin was not significant. However, the increase in AUC was observed and was proportional to the administered dose of ciprofloxacin. The predicted DDI and PK results were comparable to observed clinical data published in the literatures. This approach would be helpful in identifying potential key factors that could lead to significant impact on PBPK modeling and simulation for challenging compounds.

Fluid-structure-soil interaction analysis of cylindrical liquid storage tanks subjected to horizontal earthquake loading

  • Kim, Jae-Min;Chang, Soo-Hyuk;Yun, Chung-Bang
    • Structural Engineering and Mechanics
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    • 제13권6호
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    • pp.615-638
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    • 2002
  • This paper presents a method of seismic analysis for a cylindrical liquid storage structure considering the effects of the interior fluid and exterior soil medium in the frequency domain. The horizontal and rocking motions of the structure are included in this study. The fluid motion is expressed in terms of analytical velocity potential functions, which can be obtained by solving the boundary value problem including the deformed configuration of the structure as well as the sloshing behavior of the fluid. The effect of the fluid is included in the equation of motion as the impulsive added mass and the frequency-dependent convective added mass along the nodes on the wetted boundary of the structure. The structure and the near-field soil medium are represented using the axisymmetric finite elements, while the far-field soil is modeled using dynamic infinite elements. The present method can be applied to the structure embedded in ground as well as on ground, since it models both the soil medium and the structure directly. For the purpose of verification, earthquake response analyses are performed on several cases of liquid tanks on a rigid ground and on a homogeneous elastic half-space. Comparison of the present results with those by other methods shows good agreement. Finally, an application example of a reinforced concrete tank on a horizontally layered soil with a rigid bedrock is presented to demonstrate the importance of the soil-structure interaction effects in the seismic analysis for large liquid storage tanks.

Experimental Investigation of Blade-To-Blade Pressure Distribution in Contra-Rotating Axial Flow Pump

  • Cao, Linlin;Watanabe, Satoshi;Honda, Hironori;Yoshimura, Hiroaki;Furukawa, Akinori
    • International Journal of Fluid Machinery and Systems
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    • 제7권4호
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    • pp.130-141
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    • 2014
  • As a high specific speed pump, the contra-rotating axial flow pump with two rotors rotating reversely has been proved with higher hydraulic and cavitation performance, while in our previous researches, the potential interaction between two blade rows was distinctly observed for our prototype rotors designed with equal rotational speed for both front and rear rotors. Based on the theoretical and experimental evidences, a rotational speed optimization methodology was proposed and applied in the design of a new combination of contra-rotating rotors, primarily in expectation of the optimized blade pressure distributions as well as pertinently improved hydraulic performances including cavitation performance. In the present study, given one stationary and two rotating frames in the contra-rotating rotors case, a pressure measurement concept taking account of the revolutions of both front and rear rotors simultaneously was adopted. The casing wall pressure data sampled in time domain was successfully transferred into space domain, by which the ensemble averaged blade-to-blade pressure distributions at the blade tip of two contra-rotating rotors under different operation conditions were studied. It could be seen that the rotor pair with the optimized rotational speed combination as well as work division, shows more reasonable blade-to-blade pressure distribution and well weakened potential interaction. Moreover, combining the loading curves estimated by the measured casing wall pressure, the cavitation performance of the rotor pairs with new rotational speed combination were proved to be superior to those of the prototype pairs.

Histone Deacetylase-3/CAGE Axis Targets EGFR Signaling and Regulates the Response to Anti-Cancer Drugs

  • Kim, Hyuna;Kim, Youngmi;Goh, Hyeonjung;Jeoung, Dooil
    • Molecules and Cells
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    • 제39권3호
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    • pp.229-241
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    • 2016
  • We have previously reported the role of miR-326-HDAC3 loop in anti-cancer drug-resistance. CAGE, a cancer/testis antigen, regulates the response to anti-cancer drug-resistance by forming a negative feedback loop with miR-200b. Studies investigating the relationship between CAGE and HDAC3 revealed that HDAC3 negatively regulated the expression of CAGE. ChIP assays demonstrated the binding of HDAC3 to the promoter sequences of CAGE. However, CAGE did not affect the expression of HDAC3. We also found that EGFR signaling regulated the expressions of HDAC3 and CAGE. Anti-cancer drug-resistant cancer cell lines show an increased expression of $pEGFR^{Y845}$. HDAC3 was found to negatively regulate the expression of $pEGFR^{Y845}$. CAGE showed an interaction and co-localization with EGFR. It was seen that miR-326, a negative regulator of HDAC3, regulated the expression of CAGE, $pEGFR^{Y845}$, and the interaction between CAGE and EGFR. miR-326 inhibitor induced the binding of HDAC3 to the promoter sequences in anti-cancer drug-resistant $Malme3M^R$ cells, decreasing the tumorigenic potential of $Malme3M^R$ cells in a manner associated with its effect on the expression of HDAC3, CAGE and $pEGFR^{Y845}$. The down-regulation of HDAC3 enhanced the tumorigenic, angiogenic and invasion potential of the anti-cancer drug-sensitive Malme3M cells in CAGE-dependent manner. Studies revealed that $PKC{\delta}$ was responsible for the increased expression of $pEGFR^{Y845}$ and CAGE in $Malme3M^R$ cells. CAGE showed an interaction with $PKC{\delta}$ in $Malme3M^R$ cells. Our results show that HDAC3-CAGE axis can be employed as a target for overcoming resistance to EGFR inhibitors.