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.-

1930년대 대중잡지를 통해 본 식민지 조선의 "대중": 잡지『조광』을 중심으로

강영걸 ( Young Kol Kang ),정혜영 ( Hye Young Jung ) 국제비교한국학회 2012 비교한국학 Comparative Korean Studies Vol.20 No.3

1930년대 대중잡지 『조광』을 중점적으로 분석하여 식민지 조선 ``대중``의 의미를 탐구한 본 연구는 다음과 같은 문제에 대한 답을 얻고자 하였다. 첫째, 1930년대 조선사회에 ``대중문화``가 성립되어 있었는가? 둘째, 만일 성립되어 있었다면, 그 ``대중``이 식민지시기 마지막 무렵``대중동원``의 큰 물결 속에서 어떤 운명을 겪었는가에 관한 것이다. 이러한 의문과 관련해서 이 연구는 다음과 같은 사실을 시사하고 있다. 첫째, 대중문화 또는 대중매체가 발전하고 발달하면 ``대중``이라고 부를 수 있는 새로운 집단이 등장하고, 그들의 취향과 욕구를 충족시키기 위한 새로운 형태의 문화가 발생하는데 식민지 조선은 그런 과정을 거치지 않았다. 예를 들면, 1920년대의 조선에서 대중의 성립과 대중문예의 탄생은 그 순서가 뒤바뀌어 있었던 것이다. 대중매체의 형성은 물론 그 매체를 활용할 만한 제반 여건조차 확보되지 않았던 식민지 조선의 상황을 고려할 때 대량소비를 목표로 한 ``상업주의적`` 잡지의 등장은 상당히 부자연스럽다고 할 수밖에 없다. 그렇다면 이들 잡지는 발간자 측의 특정한 ``목적``을 위해서 등장했다고 보아야 하는 것이다. 둘째, ``대중``이 식민지 시기 마지막 무렵 ``대중동원``의 큰 물결 속에서 어떤 운명을 겪었는가와 관련하여, 이 연구가 집중 조명한 잡지 『조광』은 식민지 조선에서 대중문화가 형성될 수 있다는 믿음은 환상이라는 것을 극명하게 알려주고 있다. 근대적 의미의 ``대중``이 존립하지 않은 식민지 조선에서, 대중잡지란 본질적으로 성립될 수가 없었던 것이다. 특히, 끊임없이 제국의 국민 만들기 작업이 진행되던 식민지 사회에서 ``대중``이란 형성되는 순간 곧바로 제국의 신민 혹은 국민으로 포섭될 수밖에 없었다. 그것이 바로 식민지 대중의 운명이었으며 식민지 종합대중잡지의 필연적 귀착점이었다. This study deals with the meaning of the masses in the 1930s in Colonial Chosun with a focus on the popular magazines Cho Kwang. To serve the purpose of this study, we conducted a literature review on this issue to answer such questions as: 1) Did there exist the so-called ``the masses`` in the 1930s in the colonial Chosun? 2) If the masses existed, what was its fate in the midst of the Empire`s effort to mobilize the Koreas in the middle of waging a series of war in the 1930s? With regard to these questions, this study implies that: 1) There were no masses from the perspective of the mass society. Hence, it would not be maintained that there did exist the mass culture in the colonial Chosun in the 1930s. 2) Since masses did exist at that time, it must be an illusion to maintain that the mass culture and the mass society had been established in the colonial era. The reality seems to be that the mass, which must has been a fictitious concept, was mobilized to serve the purpose of Japanese Empire to wage a series of wars such as Sino-Japanese War and the Second World War.

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.

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

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.

CEO 교체와 경영성과: 한미간 비교 연구

강영걸 ( Young Kol Kang ) 국제비교한국학회 2004 비교한국학 Comparative Korean Studies Vol.12 No.1