• Bulletin of the Korean Chemical Society
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• v.16 no.10
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• pp.912-915
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• 1995

Ornidazole, C7H10ClN3O3, crystallizes in the triclinic, space group P1^, with a=13.605(2), b=14.054(1), c=8.913(5) Å, α=71.59(2), β=78.73(2), γ=64.86(1)°, μ=3.26 cm-1, Dc=1.499 g/cm3, Dm=1.497g/cm3, F(000)=684, and z=6. Intensities for 2693 unique reflections were measured on a CAD4 diffractometer with graphite-monochromated Mo-Kα radiation. The structure was solved by direct method and refined by block-diagonal least squares to a final R of 0.081 (Rw=0.047) for 1952 reflections with Fo>3σ (Fo). The asymmetric unit contains three independent molecules of the title compound. The bond lengths and bond angles are comparable with the values found in the other nitro-substituted compounds. The nitro groups are rotated (6.9°, 6.6°, 2.6° for the three independent molecule, respectively) about the C-N axes from the imidazole planes. The crystal structures are linked by two intermolecular hydrogen bonds of O-H---N type and one intermolecular hydrogen bond of O-H---O type.

• Bulletin of the Korean Chemical Society
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• v.13 no.5
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• pp.498-503
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• 1992

The protonation of RuH(NO)(Cyttp) resulted in the formation of $[RuH_2(NO)(Cyttp)]^+$ which is characterized as a classical cis-dihydried complex. This complex is fluxional and the intramolecular process involving a molecular hydrogen complex is proposed. This mechanism was further supported by the reactivity of this complex toward neutral 2-electron ligands. On the other hand, it failed to detect the existence of $[RuH_2(NO)(etp)]^+$ probably due to instability of the complex but the crystal structure of $[Ru(PMe_3)(NO)(etp)]^+$ formed by the protonation of RuH(NO)(etp) followed by the addition of $PMe_3$ was determined to have a trigonal bipyramidal structure with a linear NO in the equatorial plane and a facial etp ligand. The crystals are monoclinic, space group P21/n, with unit cell dimensions a = 14.130(2), b = 21.026 (3), c = 14.760 (1) ${\AA}$, ${\beta}$ = 97.88 $(l)^{\circ}$ V = 4344 ${\AA}^3$, Z = 4, R = 0.046 and $R_w$ = 0.056 for the 4779 intensities with $F_o^2 > 3{\sigma}(F_0^2)$ and the 440 variables.

• Journal of the Korean Society of Propulsion Engineers
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• v.21 no.1
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• pp.84-90
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• 2017

It is observed that chemical characteristics of HTPB(Hydroxyl Terminated Polybutadiene) binder such as OH index, molecular weight and functionality and so on, can be different with synthetic batch, which can affect curing reaction of binder in itself or propellant. Finally this reaction can also affect mechanical properties of propellant. And the results suggest that proper degree of curing reaction is necessary to obtain better mechanical properties of propellant.

• Animal cells and systems
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• v.16 no.3
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• pp.224-229
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• 2012

The Korean shiner (Coreoleuciscus splendidus, Gobioninae), a small freshwater fish native to Korea Peninsula, widely inhabits in most of the major drainages in South Korea. Here we describe the development of 14 novel and polymorphic microsatellites for this species and its effective utilization in estimation of genetic diversity using 72 individuals from three sampling sites in different drainages. Loci were isolated from a microsatellite enrichment procedure using probe-labeled magnetic beads. A total of 242 alleles were detected across all loci with an average of 17.3 alleles per locus ranging 4 32. The loci varied levels of polymorphism as evident from its expecte heterozygosity ranging from 0.111 to 0.957. The average pairwise $F_{ST}$ between two populations examined shows significant differentiation ($F_{ST}$ = 0.215, p<0.05). The 14 microsatellite loci developed here will also be useful to explain for the genetic structures among geographically isolated populations and gene flow dynamics within drainages in this species as well as the closely related species.

• Journal of the Semiconductor & Display Technology
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• v.16 no.3
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• pp.87-92
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• 2017

Poly(urethane acrylate) siloxane oligomers with Interpenetrating polymer networked nanoparticles were prepared to synthesize hard coating solution by reaction with isophorone diisocyanate(IPDI) of 1, 2, 3, 4 phr. The structures and molecular weights of the synthesized solutions were characterized by IR spectroscopy and gel permeation chromatography, respectively. In the cross-cut test for the adhesion, all the solutions showed good adhesion of 5B regardless of the content of IPDI and film thickness. The addition of 1 phr IPDI resulted in the best pencil hardness. The IPDI combined siloxane hard coating solution showed more flexibility than the siloxane solution. These results will yield the improvement in the siloxane solution using for plastic display plate.

• 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 Magnetic Resonance Society
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• v.23 no.3
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• pp.61-66
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• 2019

RNAs exhibit distinct structural and dynamic features required for proper function. The hydrogen-bonded imino protons of RNAs are a probe of the conformational transition and dynamic feature. MicroRNAs originate from primary transcripts containing hairpin structures. The levels of mature miR156 influence the flowering time of plants. To understand the molecular mechanism of biological function of $miR156:miR156^*$ duplex, we performed hydrogen exchange study on the model RNAs mimicking two phenotypes of $miR156:miR156^*$, $miR156:miR156^*$ (m-miR156a) and $miR156:miR156^*$ (m-miR156g) duplexes. This study found that the internal bulge of m-miR156a destabilized the neighboring base-pairs, whereas the bulge structure of m-miR156g did not affect the thermal stabilities of the neighboring base-pairs.

• Journal of Microbiology and Biotechnology
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• v.31 no.10
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• pp.1393-1400
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• 2021

Acetone-butanol-ethanol (ABE) fermentation by the anaerobic bacterium Clostridium acetobutylicum has been considered a promising process of industrial biofuel production. Phosphotransbutyrylase (phosphate butyryltransferase, PTB) plays a crucial role in butyrate metabolism by catalyzing the reversible conversion of butyryl-CoA into butyryl phosphate. Here, we report the crystal structure of PTB from the Clostridial host for ABE fermentation, C. acetobutylicum, (CaPTB) at a 2.9 Å resolution. The overall structure of the CaPTB monomer is quite similar to those of other acyltransferases, with some regional structural differences. The monomeric structure of CaPTB consists of two distinct domains, the N- and C-terminal domains. The active site cleft was formed at the interface between the two domains. Interestingly, the crystal structure of CaPTB contained eight molecules per asymmetric unit, forming an octamer, and the size-exclusion chromatography experiment also suggested that the enzyme exists as an octamer in solution. The structural analysis of CaPTB identifies the substrate binding mode of the enzyme and comparisons with other acyltransferase structures lead us to speculate that the enzyme undergoes a conformational change upon binding of its substrate.

• Journal of the Korean Chemical Society
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• v.65 no.2
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• pp.113-120
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• 2021

New phenylthiophenechalcones,1-(biphenyl-4-yl)-3-(5-phenylthiophen-2-yl)prop-2-en-1-one (3a) and 3-(5-phenylthiophen-2-yl)-1-(4-(piperidin-1-yl) phenyl) prop-2-en-1-one (3b) were synthesized, next, their treatment with thiosemicarbazide in ethanol afforded their pyrazoline derivatives (4a) and (4b), respectively. The molecular structures of the synthesized compounds were confirmed via elemental analysis, FT-IR, 1H, 13C NMR and mass spectroscopy. The geometrical elucidation of four suggested conformers has been studied for these compounds. DFT calculations have been performed to study the stability and the structural parameters of the predicted conformers and revealed that orientation of the biphenyl and the phenylthiophene moieties affect the stability of the estimated conformers of the synthesized chalcones and pyrazoline. Moreover, two reaction mechanisms have been proposed to illustrate the reaction products and the DFT calculations have been used to confirm the reaction mechanism of the pyrazoline compounds.

• Food Science and Industry
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• v.50 no.1
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• pp.2-10
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• 2017

Human have eaten various traditional fermented foods for a numbers of million years for health benefit as well as survival. The beneficial effects of fermented foods have been resulted from complex microbial communications within the fermented foods. Therefore, the holistic approaches for individual identification and complete microbial profiling involved in their communications have been of interest to food microbiology fields. Microbiome is the ecological community of microorganisms that literally share our environments including foods as well as human body. However, due to the limitation of culture-dependent methods such as simple isolations of just culturable microorganisms, the culture-independent methods have been consistently developed, resulting in new light on the diverse non-culturable and hitherto unknown microorganisms, and even microbial communities in the fermented foods. For the culture-independent approaches, the food microbiome has been deciphered by employing various molecular analysis tools such as fluorescence in situ hybridization, quantitative PCR, and denaturing gradient gel-electrophoresis. More recently, next-generation-sequencing (NGS) platform-based microbiome analysis has been of interest, because NGS is a powerful analytical tool capable of resolving the microbiome in respect to community structures, dynamics, and activities. In this overview, the development status of analysis tools for the fermented food microbiome is covered and research trend for NGS-based food microbiome analysis is also discussed.