• Bulletin of the Korean Chemical Society
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• v.17 no.8
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• pp.745-749
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• 1996

Fluorescence from the electronically excited thiophosgene (Cl2CS) in its first excited singlet state (S1) is efficiently quenched by collision. Rates of the collision-induced electronic relaxation were obtained for various vibrational levels in the S1 state by measuring the fluorescence lifetimes. We found that the relaxation process is strongly energy-dependent; the rate consistently increases by a factor of ~40 with the increase of vibrational energy from 0 to 1450 cm-1. Collision-induced intersystem crossing from the S1 to the first triplet state (T1) is attributed to the major process responsible for the electronic relaxation.

• Transactions of the Korean Society of Automotive Engineers
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• v.21 no.3
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• pp.1-14
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• 2013

In this paper, a finite element analysis technique of rolling stock models for collision-induced derailments was suggested using rolling contacts for wheel-rail interaction. The collision-induced derailments of rolling stock can be categorized into two patterns of wheel-climb and wheel-lift according to the friction direction between wheel flange and rail. The wheel-climb derailment types are classified as Climb-up, Climb/roll-over and Roll-over-C types, and the wheel-lift derailment types as Slip-up, Slip/roll-over and Roll-over-L types. To verify the rolling contact simulations for wheel-rail interaction, dynamic simulations of a single wheelset using Recurdyn of Functionbay and Ls-Dyna of LSTC were performed and compared for the 6-typical derailments. The collision-induced derailment simulation of the finite element model of KHST (Korean High Speed Train) was conducted and verified using the theoretical predictions of a simplified wheel-set model proposed for each derailment type.

• Journal of the Korean Society of Safety
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• v.24 no.4
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• pp.104-110
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• 2009

In this driving simulation study, the impairing effects of various types of electronic devices usage(i. e., destination search by using in-vehicle navigation system, TV watching and dialing cellular phone) during driving on front-to-rear-end collision avoidance were investigated. Percentage of collisions, driving speeds when the drivers collided, and initial reaction time for collision avoidance were analyzed and compared as the dependent measures. The results indicated that (1) any types of electronic devices usage during driving induced more serious collision-related impairment than control condition where no additional task was required, and (2) in general, destination search task appeared to impair drivers collision avoidance performance more than the other task requirements in terms of percentage of collisions and initial reaction time for collision avoidance, but TV watching induced most serious collision impact. These results suggested that any types of electronic device usage could distract drivers attention from the primary task of driving, and be resulted in serious outcome in potentially risky situation of front-to-rear-end collision. In particular, mandatory use of eye-hand coordination and receiving feedback seemed to one of essential factor leading the drivers visual attentional distraction.

• Mass Spectrometry Letters
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• v.12 no.4
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• pp.131-136
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• 2021

Collision-induced dissociation of peptides involves a series of proton-transfer reactions in the activated peptide. To describe the kinetics of energy-variable dissociation, we considered the heat capacity of the peptide and the Marcus-theory-type proton-transfer rate. The peptide ion was activated to the high internal energy states by collision with a target gas in the collision cell. The mobile proton in the activated peptide then migrated from the most stable site to the amide oxygen and subsequently to the amide nitrogen (N-protonated) of the peptide bond to be broken. The N-protonated intermediate proceeded to the product-like complex that dissociated to products. Previous studies have suggested that the proton-transfer equilibria in the activated peptide affect the dissociation kinetics. To take the extent of collisional activation into account, we assumed a soft-sphere collision model, where the relative collision energy was fully available to the internal excitation of a collision complex. In addition, we employed a Marcus-theory-type rate equation to account for the proton-transfer equilibria. Herein, we present results from the integrated thermochemical approach using a tryptic peptide of ubiquitin.

• Bulletin of the Korean Chemical Society
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• v.24 no.8
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• pp.1223-1226
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• 2003

• Bulletin of the Korean Chemical Society
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• v.26 no.8
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• pp.1269-1273
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• 2005

• Mass Spectrometry Letters
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• v.9 no.4
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• pp.91-94
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• 2018

Bilin tetrapyrroles are metabolic products of the breakdown of porphyrins within a species. In the case of mammals, these bilins are formed by the catabolism of heme and can be utilized as either biomarkers in disease or as an indicator of human waste contamination. Although a small subset of bilin tandem mass spectrometry reports exist, limited data is available in online databases for their fragmentation. The use of fragmentation data is important for metabolomics analyses to determine the identity of compounds detected within a sample. Therefore, in this study, the fragmentation of bilins generated by positive ion mode electrospray ionization is examined by collision-induced dissociation (CID) as a function of collision energy on an FT-ICR MS. The use of the FT-ICR MS allows for high mass accuracy measurements, and thus the formulas of resultant product ions can be ascertained. Based on our observations, fragmentation behavior for hemin, biliverdin and its dimethyl ester, phycocyanobilin, bilirubin, bilirubin conjugate, mesobilirubin, urobilin, and stercobilin are discussed in the context of the molecular structure and collision energy. This report provides insight into the identification of structures within this class of molecules for untargeted analyses.

• Journal of the Korean Chemical Society
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• v.67 no.6
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• pp.407-414
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• 2023

The present study uses quasi-classical trajectory procedures to examine the vibrational relaxation and dissociation of the methyl and ring C-H bonds in excited methylpyrazine (MP) during collision with either N₂ or O₂. The energy-loss (-ΔE) of the excited MP is calculated as the total vibrational energy (E_T) of MP is increased in the range of 5,000 to 40,000cm^-1. The results indicate that the collision-induced vibrational relaxation of MP is not large, increasing gradually with increasing E_T between 5,000 and 30,000 cm^-1, but then decreasing with the further increase in E_T. In both N₂ and O₂ collisions, the vibrational relaxation of MP occurs mainly via the vibration-to-translation (V→T) and vibration-to-vibration (V→V) energy transfer pathways, while the vibration-to-rotation (V→R) energy transfer pathway is negligible. In both collision systems, the V→T transfer shows a similar pattern and amount of energy loss in the ET range of 5,000 to 40,000cm^-1, whereas the pattern and amount of energy transfer via the V→V pathway differs significantly between two collision systems. The collision-induced dissociation of the C-H_methyl or C-H_ring bond occurs when highly excited MP (65,000-72,000 cm^-1) interacts with the ground-state N₂ or O₂. Here, the dissociation probability is low (10^-4-10^-1), but increases exponentially with increasing vibrational excitation. This can be interpreted as the intermolecular interaction below E_T = 71,000 cm^-1. By contrast, the bond dissociation above E_T = 71,000 cm^-1 is due to the intramolecular energy flow between the excited C-H bonds. The probability of C-H_methyl dissociation is higher than that of C-H_ring dissociation.

• Bulletin of the Korean Chemical Society
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• v.29 no.4
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• pp.795-798
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• 2008

The formation of complex $XeHCl^+$ in the collision-induced reaction of $Xe^+$ with HCl has been studied by use of classical dynamics procedures using the London-Eyring-Polanyi-Sato empirical potential energy surfaces. A small fraction of trajectories on the $Xe^+$ + HCl and Xe + $HCl^+$ surfaces lead to the formation of complex $XeHCl^+$ with life-times of 1-2 ps which is long enough to survive many rotations before redissociating back to the reactant state. The formation of complex $XeHCl^+$ occurs mainly from collision angle of $\Theta$ = ${45^{\circ}}$.

• Mass Spectrometry Letters
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• v.11 no.4
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• pp.65-70
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• 2020

Despite its great success in the field of proteomics, mass spectrometry has limited use for determining structural details of peptides, proteins, and their assemblies. Emerging ion mobility spectrometry-mass spectrometry has enabled us to explore the conformational space of protein ions in the gas phase, and further combinations with the gas-phase ion spectroscopy and the collision-induced unfolding have extended its abilities to elucidating the secondary structure and local details of conformational transitions. This review will provide a brief introduction to the combined approaches of IMS-MS with gas-phase ion infrared spectroscopy or collision-induced unfolding and their most recent results that successfully revealed higher-order structural details.