• Bulletin of the Korean Chemical Society
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• 제34권2호
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• pp.553-557
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• 2013

The stretching vibration of OH of ice Ih is studied by Car-Parrinello molecular dynamics in regarding the effect of mixed H/D contamination while the vibrational spectrum is considered by velocity-velocity autocorrelations of the sampled ensemble. When hydrogen atoms are immersed randomly into the deuterated ice, a typical vibrational frequency of OH stretching mode is observed to be similar to that from the pure $H_2O$ ice. When focusing on the correlation of isolated neighboring OH stretching, a narrower and blue shifted peak is observed at the high frequency range as a result of the screening from the complex many body correlations by $D_2O$ environment. It is also specifically related to the symmetric intermolecular correlations between neighboring OH stretching modes. More enhanced high frequency range can be explained by the expansion of such two body correlations to collective many body correlations among all possible OH stretching modes. This contribution becomes important when it involves in chemical interactions via excitation of such vibrational states.

• 대한화학회지
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• 제64권6호
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• pp.350-353
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• 2020

물 분자내의 OH 신축진동(stretching vibration) 운동을 나타내는 정규모드(normal mode)와 국소모드(local mode) 진동수들을 비교하여 수소결합한 물 분자에 대한 국소모드에 기반한 계산의 타당성을 조사하였다. 물 분자의 단량체, 이합체, 삼량체에 대한 계산을 수행하여 분자 클러스터 크기가 커짐에 따라 국소모드 진동수, 국소모드의 비조화성, 그리고 국소모드와 정규모드 진동수들의 유사성이 어떤 경향성을 보이는지 순이론적 양자화학 계산 방법으로 연구하였다. 단량체에서 삼량체로 분자의 갯수가 증가할수록 OH 결합의 비조화성은 증가하며 국소모드와 정규모드 진동수 간의 차이는 줄어드는 것으로 나타났다. 따라서, 응축상에 존재하는 물 분자들의 OH 신축 진동수의 이론적 계산은 비조화성을 쉽게 다룰 수 있는 국소모드에 기반한 방식이 적절할 수 있음을 확인하였다.

• 국제물리치료학회지
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• 제11권3호
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• pp.2102-2106
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• 2020

Background: Static hamstring stretching exercises have been widely used to improve flexibility of the hamstring muscles. However, few studies have examined the influence of standing static hamstring stretching (e.g., jack-knife stretching) on movements of the lumbopelvic-hip complex. Objectives: To examine the short-term effects of jack-knife stretching on movements of the lumbopelvic-hip complex. Design: Case series. Methods: Fourteen participants with hamstring tightness (8 male, 6 female) were recruited. Participants performed jack-knife stretching for 150 s. Before and after stretching, participants performed the finger-to-floor distance (FFD), sit and reach (SRT), active knee extension (AKE), passive straight leg raising (PSLA), and active straight leg raising (ASLR) tests as well as pelvic tilt while standing to identify the effects of stretching. Results: There were significant improvements in the FFD, SRT, AKE, PSLA, and ASLR tests after stretching. However, pelvic tilt angle while standing did not significantly change. Conclusion: Jack-knife stretching can be a useful exercise to improve flexibility of the hamstring muscles, but not pelvic alignment while standing.

• PNF and Movement
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• 제19권3호
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• pp.341-349
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• 2021

Purpose: The purpose of this study was to investigate the effect of soleus muscle stretching on the muscle thickness and muscle tone of the tibialis anterior and peroneus longus muscles in healthy young adults. Methods: This study was an observational, cross-sectional study design in healthy young adults. Thirty healthy young adults participated in the study. To investigate the effect of agonist elongation on the muscles' antagonist and synergist characteristics, this study conducted the dynamic stretching of the soleus and plantarflexor muscles for 20 seconds. This study measured the muscle thickness and muscle tone of the soleus, tibialis anterior and peroneus longus muscles before stretching, immediately after stretching, and five minutes after stretching. Results: After analysis, the muscle tone of the soleus muscle was significantly decreased immediately after stretching (20.91±2.61Hz) compared to before stretching (21.83±2.78Hz). The muscle tone of the tibialis anterior was significantly decreased both immediately after stretching (21.76±2.73Hz) and five minutes after stretching (21.72±3.25Hz) compared to before stretching (22.61±3.29Hz). The muscle thickness of the soleus muscle was significantly decreased immediately after stretching (2.04±0.52mm) compared to before stretching (2.21±0.51mm) and was significantly increased five minutes after stretching (2.14±0.49mm) compared to immediately after stretching. Conclusion: The results of this study showed the static stretching of the soleus muscle changed the muscle tone of the tibialis anterior, but not of the peroneus longus muscle. This study suggests that the dynamic stretching of the agonist muscle would show meaningful muscle tone change in the antagonist.

• 국제물리치료학회지
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• 제10권1호
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• pp.1739-1745
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• 2019

Background: There have been many studies on self-myofascial release (SMR) stretching, but there are few comparative studies on the effects of massages using a release ball, which is a type of the SMR method. Objective: To investigate the immediate effects of release ball massage and self-stretching on proprioceptive sensory, hamstring's temperature, range of motion (ROM) muscle strength,. Design: Crossover study. Methods: Thirty women in 20's at S University in Busan voluntarily participated in the study. Participants were random to release ball group (n=15) or self-stretching group (n=15). Both groups performed 3 sets of exercises, stretching for 30 seconds and resting for 15 seconds in each position. The proprioceptive sensory, temperature of the hamstring muscle, ROM, and strength were measured before exercise, 5 minutes after exercise, and 30 minutes after exercise. Results: Release ball group showed significant differences in muscle length and temperature over time (p<.05). The comparison between two group over time showed significant differences in muscle length, temperature, and muscle strength (p<.05). Conclusions: These results demonstrate that release ball massage and self-stretching are beneficial for improving hamstring's temperature, ROM and muscle strength.

• Rapid Communication in Photoscience
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• 제5권1호
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• pp.8-10
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• 2016

The potential curves of OH bonds of liquid water are inhomogeneous because of a variety of interactions with other molecules and this leads to a wide distribution of vibrational frequency which hampers our understanding of the structure and dynamics of water molecules. Mixed quantum/classical (QM/CM) calculation methods are powerful theoretical techniques to help us analyze experimental data of various vibrational spectroscopies to study such inhomogeneous systems. In a type of those approaches, the interaction energy between OH bonds and other molecules is approximately represented by the interaction between the charges located at the appropriate interaction sites of water molecules. For this purpose, we re-calculated the values of charges by comparing the approximate interaction energies with quantum chemical interaction energies. We determined a set of charges at the TIP4P charge sites which better represents the quantum mechanical potential curve of OH bonds of liquid water.

• 한국근적외분광분석학회:학술대회논문집
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• 한국근적외분광분석학회 2001년도 NIR-2001
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• pp.1283-1283
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• 2001

NIR spectroscopy has been used extensively to investigate the structure of water, alcohol and other self-associate molecules because the frequencies of NIR bands due to OH and NH groups strength of hydrogen bonds. We have studied the structure of water -methanol mixtures by use of NIR spectroscopy. Strong features in the 7200-6300 $cm^{-1}$ / region consist of a number of overlapped bands due to the combination of OH antisymmetric and symmetric stretching modes of water and the first overtone of the OH stretching modes of free and hydrogen bonded methanol, while weak fratures in the 6000-5800 cm-1 region are ascribed to the first overtones of $CH_3$ stretching modes of methanol. We will focus the discussion on the $CH_3$ stretching bands. They seem to show a significant shift is not clear from the spectra shown in figure 1(a). Figure 1(b) depicts the second derivative in the 6000-5700 $cm^{-1}$ / region. Now, it is clear from the second derivative that there are two major bands near 5950 and 5900 $cm^{-1}$ / and that they do show a shift be about 30 $cm^{-1}$ / Why do the $CH_3$ bands show the shift with increasing concentration of methanol\ulcorner Probably, the CH, group interacts directly with OH groups of water. The results in figure 1(b) demonstrate the usefulness of the second derivative in resolution enhancement as well as the potential of NIR spectroscopy in the studies of molecular interactions.(Figure omitted).

• 대한물리의학회지
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• 제3권2호
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• pp.81-88
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• 2008

Objective : The purpose of this study was to analyze ultrasonography and 90-90 SLR test on hamstring after both groups were applied static stretching exercise and PNF stretching exercise. Methods : For this experimental study, total 20 healthy university students, who were divided into static stretching exercise group and PNF stretching group. Each group was assessed before and after stretching(0.5 minute, 1 minute, 1.5 minutes, 2 minutes, 2.5 minutes, 3 minutes, 4 minutes, 5 minutes, 6 minutes, 7 minutes, 8 minutes, 9 minutes, 10 minutes). Results : Total score of 90-90 SLR test was showed a significant difference between pre and post. Hamstring diameter was gradually increased to 2.5 minutes and 3 minutes, where after it was gradually decreased in static stretching exercise group. Hamstring circumference had regular interval scores before and after on PNF stretching exercise group. Conclusion : There was a different change on hamstring diameter and circumference.

• Bulletin of the Korean Chemical Society
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• 제33권3호
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• pp.885-892
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• 2012

Energy transfer dynamics of excited vibrational energy of OH stretching bonds in liquid water is theoretically studied. With time-dependent vibrational Hamiltonian obtained from a mixed quantum/classical calculation, we construct a master equation describing the energy transfer dynamics. Survival probability predicted by the master equation is compared with numerically exact one and we found that incoherent picture of energy transfer is reasonably valid for long-time population dynamics. Within the incoherent picture, we assess the validity of independent pair approximation (IPA) often introduced in the theoretical models utilized in the analysis of experimental data. Our results support that the IPA is almost perfectly valid as applied for the vibrational energy transfer in liquid water. However, proper incorporation of radial and orientational correlations between two OH bonds is found to be critical for a theory to be quantitatively valid. Consequently, it is suggested that the Forster model should be generalized by including the effects of the pair correlations in order to be applied for vibrational energy transfer in liquid water.

• 대한화학회지
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• 제60권6호
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• pp.410-414
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• 2016

The anharmonic frequency of a local OH stretching mode of a water monomer and dimer was calculated using various levels of density functional theory. The quantum chemical potential energy curves as a function of the OH bond distance were calculated, and they were fitted with the Morse potential function to analytically obtain the fundamental transition frequency. By comparing those values with the frequencies similarly calculated using an ab initio quantum chemical method, the coupled cluster theory including both single and double excitations with the perturbative inclusion of triple excitation in the complete basis limit, the accuracy of various density functional methods in the calculation of anharmonic vibration frequency of water molecules was assessed. For a water monomer, X3LYP and B3LYP methods give the best accuracy, whereas for a water dimer, B972, LCBLYP, ${\omega}B97X$, ${\omega}B97$ methods show the best performance.