On the Reliability of the AMBER Force Field and its Empirical Dispersion Contribution for the Description of Noncovalent Complexes

Kolá,ř,, Michal,Berka, Karel,Jureč,ka, Petr,Hobza, Pavel WILEY-VCH Verlag 2010 CHEMPHYSCHEM -WEINHEIM- Vol.11 No.11

<P>The reliability of the AMBER force field is tested by comparing the total interaction energy and dispersion energy with the reference data obtained at the density functional theory–symmetry-adapted perturbation treatment (DFT–SAPT)/aug-cc-pVDZ level. The comparison is made for 194 different geometries of noncovalent complexes (H-bonded, stacked, mixed, and dispersion-bound), at the equilibrium distances as well as at longer distances (up to a relative distance of two). The total interaction energies agree very well with the reference data and only the strength of H-bonded complexes is slightly underestimated. In the case of dispersion energy, the overall agreement is even better, with the exception of the stacked aromatic systems, where the empirical dispersion energy is overestimated. The use of AMBER interaction energy and AMBER dispersion energy for different types of noncovalent complexes at equilibrium as well as at longer distances is thus justified, except for a few cases, such as the water molecule, where the dispersion energy is highly inaccurate.</P> <B>Graphic Abstract</B> <P>The reliability of the AMBER force field is tested by comparing the total interaction energy and dispersion energy with the ab initio reference data. The comparison is made for 194 different geometries of noncovalent complexes with various binding motifs (see picture), at the equilibrium distances as well as at longer distances. Despite the oversimplified form of the empirical force field a surprisingly good agreement is observed, with some exceptions. <img src='wiley_img_2010/14394235-2010-11-11-CPHC201000109-content.gif' alt='wiley_img_2010/14394235-2010-11-11-CPHC201000109-content'> </P>

Non-linear analysis of side-plated RC beams considering longitudinal and transversal interlayer slips

Jerneja Kolšek,Tomaž Hozjan,Aleš Kroflič,Igor Planinc,Miran Saje 국제구조공학회 2014 Steel and Composite Structures, An International J Vol.16 No.6

A new mathematical model and its finite element formulation for the non-linear stress-strain analysis of a planar beam strengthened with plates bolted or adhesively bonded to its lateral sides is presented. The connection between the layers is considered to be flexible in both the longitudinal and the transversal direction. The following assumptions are also adopted in the model: for each layer (i.e., the beam and the side plates) the geometrically linear and materially non-linear Bernoulli's beam theory is assumed, all of the layers are made of different homogeneous non-linear materials, the debonding of the beam from the side-plates due to, for example, a local buckling of the side plate, is prevented. The suitability of the theory is verified by the comparison of the present numerical results with experimental and numerical results from literature. The mechanical response arising from the theoretical model and its numerical formulation has been found realistic and the numerical model has been proven to be reliable and computationally effective. Finally, the present formulation is employed in the analysis of the effects of two different realizations of strengthening of a characteristic simply supported flexural beam (plates on the sides of the beam versus the tension-face plates). The analysis reveals that side plates efficiently enhance the bearing capacity of the flexural beam and can, in some cases, outperform the tensile-face plates in a lower loss of ductility, especially, if the connection between the beam and the side plates is sufficiently stiff.

Design of a Retargetable Decompiler for a Static Platform-Independent Malware Analysis

Lukáš Ďurfina,Jakub Křoustek,Petr Zemek,Dušan Kolář,Tomáš Hruška,Karel Masařík,Alexander Meduna 보안공학연구지원센터(IJSIA) 2011 International Journal of Security and Its Applicat Vol.5 No.4

Effect of creep on behaviour of steel structural assemblies in fires

Peter Češarek,Miha Kramar,Jerneja Kolšek 국제구조공학회 2018 Steel and Composite Structures, An International J Vol.29 No.4

There are presently two general ways of accounting for hazardous metal creep in structural fire analyses: either we incorporate creep strains implicitly in hardening model ('explicit-creep' plasticity) or we account for creep explicitly ('explicit-creep' plasticity). The first approach is simpler and usually used for fast engineering applications, e.g., following proposals of EN 1993-1-2. Prioritizing this approach without consideration of its limitations, however, may lead to significant error. So far the possible levels of such error have been demonstrated by few researchers for individual structural elements (i.e., beams and columns). This paper, however, presents analyses also for selected beam-girder assemblies. Special numerical models are developed correspondingly and they are validated and verified. Their important novelty is that they do not only account for creep in individual members but also for creep in between-member connections. The paper finally shows that outside the declared applicability limits of the implicit-creep plasticity models, the failure times predicted by the applied alternative explicit-creep models can be as much as 40% shorter. Within the limits, however, the discrepancies might be negligible for majority of cases with the exception of about 20% discrepancies found in one analysed example.

TRANSPARENCY INTERNATIONAL : Cambodia ; 2013 International Conference on “Strengthening Anti-Corruption Competitiveness through a New Governance Paradigm”

( Kol Preap ) 한국행정학회 2013 한국행정학회 학술발표논문집 Vol.2013 No.-

가시광 근접 및 짧은 파장 적외선 분광분석 알고리즘 개발 및 검증

유인걸(In-Kol Yoo),고광범(Kwang-Beom Ko),이기형(Ki-Hyung Lee),유영준(Young-June You),박삼규(Sam-Gyu Park) 대한지질학회 2013 대한지질학회 학술대회 Vol.2013 No.10

The Effects of Intravenous Ephedrine During Spinal Anesthesia for Cesarean Delivery: A Randomized Controlled Trial

Iclal Ozdemir Kol,Kenan Kaygusuz,Sinan Gursoy,Ali Cetin,Zeki Kahramanoglu,Fikret Ozkan,Caner Mimaroglu 대한의학회 2009 Journal of Korean medical science Vol.24 No.5

We designed a randomized, double-blinded study to determine the efficacy and safety of 0.5 ㎎/㎏ intravenous ephedrine for the prevention of hypotension during spinal anesthesia for cesarean delivery. Patients were randomly allocated into two groups: ephedrine group (n=21) and control group (n=21). Intravenous preload of 15 mL/㎏ lactated Ringer’s solution was given. Shortly after the spinal injection, ephedrine 0.5 ㎎/㎏ or saline was injected intravenous for 60 sec. The mean of highest and lowest heart rate in the ephedrine group was higher than those of control group (P<0.05). There were significant lower incidences of hypotension and nausea and vomiting in the ephedrine group compared with the control group (8 [38.1%] vs. 18 [85.7%]); (4 [19%] vs. 12 [57.1%], respectively) (P<0.05). The first rescue ephedrine time in the ephedrine group was significantly longer (14.9±7.1 min vs. 7.9±5.4 min) than that of the control group (P<0.05). Neonatal outcome were similar between the study groups. These findings suggest, the prophylactic bolus dose of 0.5 ㎎/㎏ intravenous ephedrine given at the time of intrathecal block after a crystalloid fluid preload, plus rescue boluses reduce the incidence of hypotension.

Employee Benefits and Productivity

Kang, Young-kol 대구대학교 사회복지연구소 2003 社會福祉硏究 Vol.24 No.-

이 연구는 기업복지와 노동생산성 사이의 관계를 파악하기 위한 목적으로 진행되었다. 국내 143개 상장 제조업체로부터 수집된 1989년부터 1996년까지 8년간의 자료로 구성된 時系列 橫斷 데이터를 GLS 회귀분석 방법을 사용하여, 종업원 1인당 복리후생비로 측정된 기업복지가 종업원 1인당 부가가치 및 종업원 1인당 매출액으로 측정된 생산성에 어떤 영향을 미치는가를 분석하였다. 이 연구의 결과는 기업복지가 생산성 향상에 긍정적인 영향을 미친다는 사실을 보여 주고 있다. 즉 종업원 1인당 복리후생비는 종업원 1인당 부가가치와 종업원 1인당 매출액을 향상시키고 있기 때문에 이 연구를 통해서 기업복지는 노동생산성에 긍정적인 영향이 있음을 알 수 있다. 기업복지가 노동생산성에 긍정적인 영향을 미친다는 이러한 결과가 시사해 주는 점은 기업들은 기업복지비의 지출이 생산성 향상에 효과적인가에 대해서 더 이상의문을 가질 것이 아니라 생산성을 향상시킬 수 있는 다른 방안을 모색하는 데 더 관심을 기울여야 한다는 것이다.

Three Theoretical Approaches to the Rise of Chaebol(財閥) Organization in Korea and their Critical Evaluations

Kang, Young-Kol 大邱大學校 社會科學硏究所 1995 社會科學硏究 Vol.2 No.1

西歐의 조직들과는 매우 다른 문화적, 경제적 풍토 하에서 발달해 온 한국의 재별은 西歐의 조직이론(organization theory)이 설명하기 힘든 매우 흥미 있는 사례를 보여 준다고 할 수 있다. 한국 재벌의 경우가 흥미 있는 것은 한국이 소위 극소수의 재벌에 의존하여 경제발전을 해 온 "독점 자본주의(monopoly capitalism)" 시스템 하에서 경제발전을 이루어 왔기 때문이다. 西歐의 (新古典)경제학 이론에 따르면 독점 자본주의는 국가 경제발전에 이롭지 않다고 하는데, 한국은 독점 자본주의 하에서 경제가 도리어 크게 발전한 특이한 예를 보여 주고 있는 것이다. 따라서 한국의 경우는 경제조직은 물론 경제발전에 관한 酉歐의 이론이 크게 수정되어아 할지도 모른다는 사실을 시사해 준다고 할 수 있다. 재벌이 한국 경제에서 차지하는 중요성 때문에 많은 학자들이 재벌 조직에 관심을 가지고 연구를 해 왔지만, 조직이론의 입장에서 접근하여 그 기원을 규명해 보려는 시도는 별로 없었다. 이 연구는 재벌의 생성과 관련된 여러 가지 西歐의 조직이론을 세가지로 분류하여 토의, 비판함으로써, 서구의 조직이론이 한국적 상황에서는 어떻게 적용될 수 있는가를 규명해 보았다.

The Culturalist Perspective on the Japanese Management System

Kang, Young-Kol 大邱大學校 社會科學硏究所 1999 社會科學硏究 Vol.7 No.2

There are two approaches in interpreting the rise of the Japanese management system. One is the culturalist approach and the other is the convergence approach. This paper discusses how Japanese culture has been interwoven with the Japanese management system and argues that, since the culturalists have misunderstood the real nature of Japanese culture. some of the important characteristics attributable to the rise of the Japanese management system are, in most cases, the features that East Asian cultures share in common. In order to grasp the clear picture of Japanese culture, the culturalists should rather have raised such a question: "why could Japanese have been industrialized ahead of Korea and China, which had been using the same Chinese characters, having similar religions like Confucianism. Buddhism, and Taoism, and speaking similar branches of languages?" As the uniqueness of Japanese culture could be found in their dichotomous perception of'uchi" and "otaku”, its adaptability to the changing environment, and an emblem culture, the Japanese management system may be associated with those three distinctive aspects of Japanese culture rather than those features which the westerners regarded as "Japanese."