• Analytical Science and Technology
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• v.20 no.5
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• pp.448-451
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• 2007

A new bis(dicyclohexylammonium) chromate dihydrate complex, $[(C_6H_{11})_2NH_2]_2[CrO_4]{\cdot}2H_2O$, (I), has been synthesized and its structure analyzed by FT-IR, EDS, elemental analysis, ICP-AES, and single crystal X-ray diffraction methods. The Cr(VI) complex (I) is tetragonal system, I${\bar{4}}$2d space group with a = 12.5196(1), b = 12.5196(1), c = $17.3796(3){\AA}$, a = ${\beta}$ = ${\gamma}$ = $90^{\circ}$, V = $2724.09(6){\AA}^3$, Z = 4. The crystal structure of complex (I) consists of tetrahedral chromate $[CrO_4]^{2-}$ anion, two organic dicyclohexylammonium $[(C_6H_{11})_2NH_2]^+$ cations and two lattice water molecules. The chromate anion and protonated dicyclohexylammonium cation is mainly constructed through the ionic bond. The cyclohexylammonium rings of the dicyclohexylammonium cation take the chair form and vertical configuration with each other. The N-H${\cdot}$O and O-H${\cdot}$O hydrogen bond networks between the $N_{dicyclohexylammonium}$, $O_{water}$ and $O_{chromate}$ atom lead to self-assembled molecular conformation and stabilize the crystal structure.

• Macromolecular Research
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• v.12 no.5
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• pp.466-473
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• 2004

We have used FT-IR spectra to explain the effects of hydrogen bonding between chitosan and polycaprolactam (PA6). A dynamic mechanical analysis study suggested that the optimum chitosan and PA6 miscibility under the conditions of this experiment were obtained at a blending ratio of 40:60. We studied the thermal degradation of chitosan blended with PA6 (chitosan/PA6) by thermogravimetric analysis and kinetic analysis (by the Ozawa method). Dry chitosan and PA6 exhibited a single stage of thermal degradation and chitosan/PA6 blends having> 20 wt% PA6 exhibited at least two stages of degradation. In chitosan/PA6 blends, chitosan underwent the first stage of thermal degradation; the second stage proceeded at a temperature lower than that of PA6, because the decomposition product of chitosan accelerated the degradation of PA6. The activation energies of the blends were between 130 and 165 kJ/mol, which are also lower than that of PA6.

• Journal of the Korean Chemical Society
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• v.17 no.2
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• pp.105-114
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• 1973

The crystal structure of morpholinothiosemicarbazide has been determined by single crystal X-ray analysis. The lattice constants are a = 4.19(2), b = 6.56(2) and c = 26.67(4)${\AA}$. The unit cell contains 4 molecules and the space group is$P2_12_12_1$. The atomic parameters have been refined by least-squares method to a final R value of 0.07, based on the 651 observed reflexions. The amino nitrogen atom forms hydrogen bonds to the sulfur atoms of the other molecules related by the two-fold screw axis parallel to the a-axis, the distances of the hydrogen bonds being 3.48 and 3.49${\AA}$. On the other hand, the imino nitrogen atom forms a hydrogen bond to the amino nitrogen atom of the other molecule related by the two-fold screw axis parallel to the a-axis, the distance of the hydrogen bond being 3.04${\AA}$. These three hydrogen bonds arrange the molecules around the two-fold screw axis. Apart from the hydrogen bonding system the structure is held together by van der Waals forces.

• The Journal of Advanced Prosthodontics
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• v.5 no.2
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• pp.126-132
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• 2013

PURPOSE. Post surface conditioning is necessary to expose the glass fibers to enable bonding between fiber post and resin cement. The purpose of the present study was to evaluate the effect of different surface conditioning on tensile bond strength (TBS) of a glass fiber reinforced post to resin cement. MATERIALS AND METHODS. In this in vitro study, 40 extracted single canal central incisors were endodontically treated and post spaces were prepared. The teeth were divided into four groups according to the methods of post surface treatment (n=10): 1) Silanization after etching with 20% $H_2O_2$, 2) Silanization after airborne-particle abrasion, 3) Silanization, and 4) No conditioning (Control). Adhesive resin cement (Panavia F 2.0) was used for cementation of the fiber posts to the root canal dentin. Three slices of 3 mm thick were obtained from each root. A universal testing machine was used with a cross-head speed of 1 mm/minute for performing the push-out tests. Two-way ANOVA and Tukey post hoc tests were used for analyzing data (${\alpha}$=0.05). RESULTS. It is revealed that different surface treatments and root dentin regions had significant effects on TBS, but the interaction between surface treatments and root canal regions had no significant effect on TBS. There was significant difference among $H_2O_2$ + Silane Group and other three groups. CONCLUSION. There were significant differences among the mean TBS values of different surface treatments. Application of hydrogen peroxide before silanization increased the bond strength between resin cements and fiber posts. The mean TBS mean values was significantly greater in the coronal region of root canal than the middle and apical thirds.

• Bulletin of the Korean Chemical Society
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• v.35 no.12
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• pp.3495-3501
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• 2014

A novel crystal, the mono-protonated metformin acetate (1), was obtained and characterized by elemental analysis, IR spectroscopy and X-ray crystallography. It was found that one of the imino group in the metformin cation was protonated along with the proton transfer from the secondary amino group to the other imino group. Its crystal structure was then compared with the previously reported diprotonated metformin oxalate (2). The difference between them is that the mono-protonated metformin cations can be linked by hydrogen bonding to form dimers while the diprotonated metformin cations cannot. Both of them are stabilized by intermolecular hydrogen bonds to assemble a 3-D supermolecular structure. The four potential tautomer of the mono-protonated metformin cation (tautomers 1a, 1b, 1c and 1d) were optimized and their single point energies were calculated by Density Functional Theory (DFT) B3LYP method based on the Polarized Continuum Model (PCM) in water, which shows that the most likely existed tautomer in human cells is the same in the crystal structure. Based on the optimized structure, their Wiberg bond orders, Natural Population Analysis (NPA) atomic charges, molecular electrostatic potential (MEP) maps were calculated to analyze their electronic structures, which were then compared with the corresponding values of the diprotonated metformin cation (cation 2) and the neutral metformin (compound 3). Finally, the possible tautomeric mechanism of the mono-protonated metformin cation was discussed based on the observed phenomena.

• Journal of Powder Materials
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• v.21 no.3
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• pp.196-201
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• 2014

In this study, nanocrystalline Cu-Ni bulk materials with various compositions were cold compacted by a shock compaction method using a single-stage gas gun system. Since the oxide layers on powder surface disturbs bonding between powder particles during the shock compaction process, each nanopowder was hydrogen-reduced to remove the oxide layers. X-ray peak analysis shows that hydrogen reduction successfully removed the oxide layers from the nano powders. For the shock compaction process, mixed powder samples with various compositions were prepared using a roller mixer. After the shock compaction process, the density of specimens increased up to 95% of the relative density. Longitudinal cross-sections of the shock compacted specimen demonstrates that a boundary between two powders are clearly distinguished and agglomerated powder particles remained in the compacted bulk. Internal crack tended to decrease with an increase in volumetric ratio of nano Cu powders in compacted bulk, showing that nano Cu powders has a higher coherency than nano Ni powders. On the other hand, hardness results are dominated by volume fraction of the nano Ni powder. The crystalline size of the shock compacted bulk materials was greatly reduced from the initial powder crystalline size since the shock wave severely deformed the powders.

• Journal of the Korean Chemical Society
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• v.19 no.2
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• pp.85-91
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• 1975

The crystal structure of piperidinothiosemicarbazide, $C_6H_{13}N_3S$, has been determined by single crystal X-ray analysis. The space group is P21/c with four molecules in the unit cell of dimensions $a=14.68{\pm}0.04,\;b=4.59{\pm}0.02,\;c=12.92{\pm}0.04{\AA}\;and\;{\beta}=109.4{\pm}0.2^{\circ}$. Three-dimensional photographic intensities were estimated visually. The structure has been solved by an interpretation of a Patterson synthesis and refined by block-diagonal least-squares methods to give a final R value of 0.14 for 378 observed independent reflections. There are two independent hydrogen bonds in the structure. One of them is of the type N-H${\ldots}$S with the length 3.28 and $3.39{\AA}$, and another is of the type N-H${\ldots}$N with the length $3.03{\AA}$. Apart from the hydrogen bonding system the molecules are held together in the crystal by van der Waals forces.

• Proceedings of the Korean Society of Tribologists and Lubrication Engineers Conference
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• 2002.10b
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• pp.165-166
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• 2002

Hydrogen free diamond like carbon (DLC) films were prepared on steel substrates by using a single ion beam in a configuration that allowed sputtering of a graphite target and at the same time allowed to impact the substrate at a grazing angle. The DLC films so prepared have improved properties with increased disorder and with modest hardness that is slightly higher than previously reported values. We have studied the effects of $N_2^+$ ions implantation on such films. It is found that the implantations of nitrogen ions into DLC films lead to chemical modifications that allowed N atoms to be incorporated into the carbon network to produce a nitrogenated DLC. Nano-indentation experiments indicated that the nitrogenated films have consistently higher hardnesses ranging from 30 to 45GPa, which represents a considerable increase in surface hardness, compared with non-nitrogenated precursor films. The investigations by XPS and Raman spectroscopy suggests that the $N_2^+$ implanted DLCs had undergone both chemical and structural modifications through the incorporation of N atoms and the increased ratio of $sp^3/sp^2$ type bonding. The observed high hardness was therefore attributable to these structural and chemical modifications. This result has implication for the preparation of super hard wear resistant films required for tribological functions in devices.

• Korean Journal of Crystallography
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• v.5 no.2
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• pp.100-107
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• 1994

A new Nl-pentenyl derivative of pyrimidines has been synthesized by an intramolecular (2+2) photocycloaddition and characterized by the single-crystal X-ray diffraction technique. The compound crystallizes in the rhombohedral system (R3, a=27.767(5)A c=6.390(2)A). In this structure, two 6-membered rings and a 4-membered ring are fused by the N-N or N-C bonds and the Tyidin Part adouts chair conformation. A pair of molecules related by an inversion center we held together through the hydrogen bonding interactions between N and O atoms of the uracil miety.

• Bulletin of the Korean Chemical Society
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• v.35 no.11
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• pp.3244-3248
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• 2014

Two ethylenediamine cobalt(II) oxalate complexes Co(ox)(en), 1 and $Co(ox)(en){\cdot}2H_2O$, 2 have been hydrothermally synthesized and characterized by single crystal X-ray diffraction, IR spectrum, TG analysis, and magnetic measurements. In 1, Co atoms are coordinated by two bis-bidentate oxalate ions in transconfiguration to form Co(ox) chains, which are further bridged by ethylenediamine molecules to produce 2D grid layers, Co(ox)(en). In 2, Co atoms are coordinated by bridging oxalate ions in cis-configuration to form Co(ox) chains, and the additional chelation of ethylenediamine to Co atoms completes 1D zigzag chain, Co(en)(ox). Two lattice water molecules stabilize the chains through hydrogen bonding. Magnetic susceptibility measurements indicate that both complexes exhibit weak antiferromagnetic coupling between cobalt(II) ions with the susceptibility maxima at 23 K for 1 and 20 K for 2, respectively. In 1 and 2, the oxalate ligands afford a much shorter and more effective pathway for the magnetic interaction between cobalt ions compared to the ethylenediamine ligands, so the magnetic behaviors of both complexes could be well described with 1D infinite magnetic chain model.