• Bulletin of the Korean Chemical Society
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• v.26 no.4
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• pp.609-613
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• 2005

The fragmentation patterns and ion-molecule reactions of two alkyn alcohols, 2-propyn-1-ol (HC≡$CCH_2$OH) and 2-methyl-3-butyn-2-ol (HC≡CC($CH_3)_2$OH), were investigated using Fourier transform mass spectrometry (FTMS). The most abundant fragment ions formed from the molecular ions were [M-H]$^+$ for 2-propyn-1-ol and [M-$CH_3]^+$ for 2-methyl-3-butyn-2-ol. The dehydrated ion, [M-$H_2O]^+$ was formed only from 2-propyn-1-ol in which $\alpha$ -hydrogen atoms were available for $\alpha,\;\alpha$ -elimination reaction. The protonated molecules were dissociated into [M+H-$H_2O]^+$ and [M+H-$C_2H_2]^+$ through dehydration and deacetylenylation processes. The formations of [M+H-$H_2O]^+$ and [M+H-$C_2H_2]^+$ from 2-methyl-3-butyn-2-ol were more favorable than those from 2-propyn-1-ol due to stabilization by two methyl groups at $\alpha$ -carbon. Ion-neutral complexes formed at long ion trapping time gave dehydrated and/or deacetylenylated ion products by further dissociation.

• Bulletin of the Korean Chemical Society
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• v.34 no.4
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• pp.1232-1236
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• 2013

The Cu cation binding sites of $[Cu(I){\cdot}d(CpG){\cdot}d(CpG)-2H]^{-1}$ complex have been investigated to explain the $[Cu{\cdot}DNA]$ biological activity caused by the Cu association to DNA. The structure of $[Cu(I){\cdot}d(CpG){\cdot}d(CpG)-2H]^{-1}$ complex was investigated by electrospray ionization mass spectrometry (ESI-MS). The fragmentation patterns of $[Cu(I){\cdot}d(CpG){\cdot}d(CpG)-2H]^{-1}$ complex were analyzed by MS/MS spectra. In the MS/MS spectra of $[Cu(I){\cdot}d(CpG){\cdot}d(CpG)-2H]^{-1}$ complex, three fragment ions were observed with the loss of d(CpG), {d(CpG) + Cyt}, and {d(CpG) + Cyt + dR}. The Cu cation binds to d(CpG) mainly by substituting the $H^+$ of phosphate group. Simultaneously, the Cu cation prefers to bind to a guanine base rather than a cytosine base. Five possible geometries were considered in the attempt to optimize the $[Cu(I){\cdot}d(CpG){\cdot}d(CpG)-2H]^{-1}$ complex structure. The ab initio calculations were performed at B3LYP/6-31G(d) level.

• Restorative Dentistry and Endodontics
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• v.29 no.3
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• pp.249-266
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• 2004

The purpose of this study was to determine whether pH and time has any influence on the degradation behavior of composite restoration by analyzing the leached monomers of dental composites qualitatively and quantitatively after storage in acetate buffer solution as a function of time using high performance liquid chromatography (HPLC) / mass spectrometer. Materials and Methods：Three commercial composite restorative resin materials (Z-250, Heliomolar and Aeliteflo) with different matrix structure and filler composition were studied. Thirty specimens (7mm $diameter{\times}2mm$ thick) of each material were prepared. The cured materials were stored in acetate buffer solution at different pH (4, 7) for 1, 7 and 45days. As a reference, samples of unpolymerized composite materials of each product were treated with methanol (10mg/ml). Identification of the various compounds was achieved by comparison of their mass spectra with those of reference compound, with literature data. and by their fragmentation patterns. Data were analysed statistically using ANOVA and Duncan's test. Results：1. Amounts of leached TEGDMA in Aeliteflo were significantly larger than those of UDMA in Z-250 and Heliomolar at experimental conditions of different storage time and pH variation (p<0.001). 2. As to comparison of the amounts of leached monomers per sorage time, amounts of leached TEGDMA in Aeliteflo and UDMA in Z-250 and Heliomolar were increased in the pH 4 solution more significantly than in the pH 7 solution after 1day, 7days and 45days, respectively (p<0.001). 3. In total amounts of all the leached monomers with storage times, the overall amounts of pH 4 extracts were larger than those of pH 7 extracts for all resin groups, but there was no significant difference (p>0.05).

• ALGAE
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• v.27 no.4
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• pp.303-313
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• 2012

Cyanobacteria are well known for their production of a multitude of highly toxic and / or allelopathic compounds. Among the photosynthetic microorganisms, cyanobacteria, belonging to the genus Nostoc are regarded as good candidate for producing biologically active secondary metabolites which are highly toxic to humans and other animals. Since so many reports have been published on the poisoning of different animals from drinking water contaminated with cyanobacteria toxins, it might be assumed that bioactive compounds are found only in aquatic species causes toxicity. However, the discovery of several dead dogs, mice, ducks, and fish around paddy fields, prompted us to study the toxic compounds in a strain of Nostoc which is most abundant in the paddy fields of Iran, using polymerase chain reaction and liquid chromatography coupled with a diode array detector and mass spectrophotometer. Results of molecular analysis demonstrated that the ASN_M strain contains the nosF gene. Also, the result of ion chromatograms and $MS^2$ fragmentation patterns showed that while there were three different peptidic compound classes (anabaenopeptin, cryptophycin, and nostocyclopeptides), there were no signs of the presence of anatoxin-a, homoanatoxin-a, hassallidin or microcystins. Moreover, a remarkable antifungal activity was identified in the methanolic extracts. Based on the results, this study suggests that three diverse groups of potentially bioactive compounds might account for the death of these animals. This case is the first documented incident of toxicity from aquatic cyanobacteria related intoxication in dogs, mice, and aquatic organisms in Iran.

• Journal of Microbiology and Biotechnology
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• v.23 no.2
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• pp.237-245
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• 2013

Canthaxanthin (cx) is a potent antioxidant that is chemically synthesized at the industrial scale and has imperative applications in the cosmetic and feed industries. An orange pigmented mesophilic bacterium, designated as K44, was isolated from soil samples of Kargil, India. Biochemical tests, 16S rRNA gene sequencing, and FAME analysis of the bacterium indicated it to belong in the genus Dietzia and is distinct from human isolates. The strain showed 98% 16S rRNA gene sequence homology with Dietzia maris DSM 43102. High-performance liquid chromatography profile of the pigments isolated from K44 showed two major peaks absorbing at 465.3 and 475 nm. The liquid chromatography-mass spectrometry (LC-MS) analysis of both these peaks revealed their m/z to be 564. The molecular weights, LC-MS/MS fragmentation patterns, and ${\lambda}_{max}$ of these fractions corresponded to all-trans- (475 nm) and 9-cis-(465.3 nm) cx isomers. The antioxidant activities of cis- and trans-cx isomers isolated from this bacterium were found to differ, where the cis-isomer showed higher free radical, superoxide radical, and reactive oxygen species scavenging activities than the alltrans- isomer, suggesting that 9-cis-cx is more effective as an antioxidant than the all-trans-cx.

• Applied Chemistry for Engineering
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• v.28 no.3
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• pp.263-271
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• 2017

The application of mass spectrometry to polymer science has rapidly increased since the development of MALDI-TOF MS. This review summarizes current polymer analysis methods using MALDI-TOF MS, which has been extensively applied to analyze the average molecular weight of biopolymers and synthetic polymers. Polymer sequences have also been analyzed to reveal the structures and composition of monomers. In addition, the analysis of unknown end-groups and the determination of polymer concentrations are very important applications. Hyphenated techniques using MALDI-tandem MS have been used for the analysis of fragmentation patterns and end-groups, and also the combination of SEC and MALDI-TOF MS techniques is recommended for the analysis of complex polymers. Moreover, MALDI-TOF MS has been utilized for the observation of polymer degradation. Ion mobility MS, TOF-SIMS, and MALDI-TOF-imaging are also emerging technologies for polymer characterization because of their ability to automatically fractionate and localize polymer samples. The determination of polymer characteristics and their relation to the material properties is one of the most important demands for polymer scientists; the development of software and instrument for higher molecular mass range (> 100 kD) will increase the applications of MALDI-TOF MS for polymer scientists.

• Tunnel and Underground Space
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• v.21 no.3
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• pp.151-163
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• 2011

The LCM test is one of the most powerful and reliable methods for designing the disc cutter and for predicting the TBM (Tunnel Boring Machine) performance. It has an advantage to predict the actual load on disc cutter from the laboratory test on the real-size large rock samples, however, it also has a disadvantage to transport and/or prepare the large rock samples and to need an extra cost for experiment. Moreover it is not easy to execute the test for jointed rock mass, and sometimes the design model estimated from the test can not be applied to the real design of disc cutter. In order to break this critical point, lots of numerical studies have been performed. PFC2D can simulate crack propagation and rock fragmentation effectively, because it is useful in particle flow analysis. Consequently, in this study, the PFC2D has been adopted for numerical analysis on cutting power of disc cutter according to the different angle of joint, the different direction of joint, and the different space of joint with jointed rock mass models. From the numerical analyses, it was concluded that the bigger cutting power of disc cutter was needed for reverse cutting direction to joint rather than for forward direction, and the cutting power of disc cutter was increased with decreasing the dip angle of joint and decreasing the space of joints in reverse cutting direction. The more precise numerical model for disc cutter can be developed from comparison between the numerical results and LCM test results, and the resonable guideline is expected for prediction of TBM performance and disc cutter.

• Korean Journal of Environmental Agriculture
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• v.32 no.4
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• pp.315-322
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• 2013

BACKGROUND: This study was performed for the identification and quantification of glucosinolate (GSL) contents in seven varieties of rapeseed (Brassica napus L.) sprouts cultivated under dark and light conditions. METHODS AND RESULTS: Crude glucosinolates (GSLs) were desulfated by treating with aryl sulfatase and purified using diethylaminoethyl sepharose (DEAE) anion exchange column. Individual GSLs were quantified using high-performance liquid chromatography (HPLC) with electrospray ionization-tandem mass spectrometry (ESI-MS/MS). Eleven GSLs including six aliphatic (progoitrin, sinigrin, glucoalyssin, gluconapoleiferin, gluconapin, and glucobrassicanapin), four indolyl (4-hydroxyglucobrassicin, glucobrassicin, 4-methoxyglucobrassicin, and neoglucobrassicin) and one aromatic (gluconasturtiin) were identified based on the fragmentation patterns of MS spectrum. Aliphatic GSLs were noted as the predominant group with average 85.2% of the total contents. The most abundant GSLs were progoitrin which was ranged at $8.14-118.68{\mu}mol/g$ dry weight (DW). The highest total GSL amounts were documented in 'Hanra' ($146.02{\mu}mol/g$ DW) under light condition and 'Mokpo No. 68' ($86.67{\mu}mol/g$ DW) in dark condition, whereas the lowest was in 'Tamra' (30.13 and $14.50{\mu}mol/g$ DW) in both conditions. The sum of aliphatic GSLs attributed > 80% in all varieties, except 'Tamra' (67.7% and 64.9% in dark and light conditions, respectively) in the total GSL accumulation. Indolyl GSLs were ranged $2.41-15.73{\mu}mol/g$ DW, accounted 2.78-33.6% of the total GSLs in rapeseed varieties. CONCLUSION(S): These results provide valuable information regarding potential beneficial GSL contents individually. This study attempts to contribute to knowledge of the nutritional properties of the different varieties of rapeseed plants. These results may be useful for the evaluation of dietary information.

• Geomechanics and Engineering
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• v.13 no.2
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• pp.333-352
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• 2017

A comparison study is made between the dynamic properties of an argillaceous siltstone and its grouting-reinforced body. The purpose is to investigate how grout injection can help repair broken soft rocks. A slightly weathered argillaceous siltstone is selected, and part of the siltstone is mechanically crushed and cemented with Portland cement to simulate the grouting-reinforced body. Core specimens with the size of $50mm{\times}38mm$ are prepared from the original rock and the grouting-reinforced body. Impact tests on these samples are then carried out using a Split Hopkinson Pressure Bar (SHPB) apparatus. Failure patterns are analyzed and geotechnical parameters of the specimens are estimated. Based on the experimental results, for the grouting-reinforced body, its shock resistance is poorer than that of the original rock, and most cracks happen in the cementation boundaries between the cement mortar and the original rock particles. It was observed that the grouting-reinforced body ends up with more fragmented residues, most of them have larger fractal dimensions, and its dynamic strength is generally lower. The mass ratio of broken rocks to cement has a significant effect on its dynamic properties and there is an optimal ratio that the maximum dynamic peak strength can be achieved. The dynamic strain-softening behavior of the grouting-reinforced body is more significant compared with that of the original rock. Both the time dependent damage model and the modified overstress damage model are equally applicable to the original rock, but the former performs much better compared with the latter for the grouting-reinforced body. In addition, it was also shown that water content and impact velocity both have significant effect on dynamic properties of the original rock and its grouting-reinforced body. Higher water content leads to more small broken rock pieces, larger fractal dimensions, lower dynamic peak strength and smaller elastic modulus. However, the water content plays a minor role in fractal dimensions when the impact velocity is beyond a certain value. Higher impact loading rate leads to higher degree of fragmentation and larger fractal dimensions both in argillaceous siltstone and its grouting-reinforced body. These results provide a sound basis for the quantitative evaluation on how cement grouting can contribute to the repair of broken soft rocks.