• Archives of Pharmacal Research
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• v.14 no.2
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• pp.137-142
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• 1991

The structure of a $\beta$-allyl type phenylpropanoid was determined by single crystal X-ray diffraction analysis. The compound was recrystallized from a mixture of n-hexane and benzene in monoclinic crystal system with a = 24.782 (2), b = 10.537 (1), c = 7.871 (1) ${\AA}, \beta=95.74$ (1)$^\circ, $D_x$=1.216, $D_m$=1.22g/$cm^3$, space group $P2_1/a$, and Z=4. The structure was solved by direct method and refined by least-squares procedure to the final R value of 0.054 for 2824 observed reflections {$F{\geq}3\sigma(F)$}. The molecular geometry shows a most stable trans-form with respect to the bulky phenyls, and this conformation is settled by an intramolecular hydrogen bond. In the crystal, the molecules are arranged along with the screw axis, and stabilized by the $O{\cdot}H{\cdots}O$ type intermolecular hydrogen bonds. The other intermolecular contacts appear to be the normal van der Waals' interactions. The compound is a dimeric phenylpropanoid, and belongs to the neolignan analogues.

• Journal of the Korean Chemical Society
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• v.7 no.4
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• pp.293-298
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• 1963

The crystal structure of ethylenediamine dihydrochloride has been determined by the two-dimensional Patterson methods and refined by two-dimensional Fourier syntheses. The unit cell dimensions are a = 4.44${\pm}$0.02, b = 6.88${\pm}$0.02, c = 9.97${\pm}$0.02 ${\AA}$, ${\beta}$ = 92${\pm}$$1^{\circ}$. The space group is $P2_1_{/c}$. The carbon and nitrogen atoms in the ethylenediamine itself lie on one plane and its structure has a trans-form with a centre of symmetry in it, and C-C distance of 1.54 ${\AA}$, C-N distance of 1.48${\AA}$ and C-C-N bond angle of $109.07^{\circ}$. The molecules are linked by N-H${\cdots}$Cl hydrogen bonds with distance of 3.14, 3.16 and 3.22 ${\AA}$ forming three dimensional network. The values of reliability factor for F(okl), F(hol) and F(hko) are 0.11, 0.10 and 0.09 respectively.

• Archives of Pharmacal Research
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• v.25 no.3
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• pp.275-279
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• 2002

The crystal structure of byakangelicin, one of furanocoumarin aldose reductase inhibitors, was determined by X-ray diffraction method. The crystal is triclinic, with a=8.114(1), b=10.194(1), $c=11.428(1)\AA,{\;}{\alpha}=111.50(1),{\}{\beta}=95.57(1),{\}{\gamma}=112.52(1)^{circ},{\;}D_x=1.41,{\;}D_m=1.39{\;}g/cm^3$, space group P1 and Z=2. The intensity data were collected by ${\omega}-2{\theta}$ scan method with $CuK_{a}$ radiations. The structure was solved by direct method and refined by full matrix least-squares procedure to the final R-value of 0.056. There are two molecules with different conformations in an asymmetric unit. The molecules are kept by two intermolecular O-HO type hydrogen bonds and van der Waal's forces in the crystal. The absolute configuration of the molecules was estimated to S-form by the 'Eta refinement' procedure.

• Journal of the Korean Applied Science and Technology
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• v.25 no.2
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• pp.115-122
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• 2008

The hydrosilylation is an addition reaction of Si-H bond to unsaturated double bonds, which provides a convenient mechanism to synthesize poly(dimethylsiloxane-co-methylsiloxane)copolymer having siloxy units in polymer backbone. In this study, Poly(dimethylsiloxane-co-methylsiloxane) copolymer was synthesized through the polymerization reaction of cyclopentasiloxane with poly(methyl-hydrogen) siloxane. Silicone-hydrogen functional group of the poly(dimethylsiloxane-co-methylsiloxane) copolymer was substituted to the alkyl groups by hydrosilylation. And their structure was analyzed with FT-IR, H-NMR and GPC instruments, respectively. Surface tension of the synthetic compounds is increased from 22dyne/cm to 25dyne/cm according to increase additional EO moles. The cmc which was evaluated by surface tension was ranged $10^{-5}$ to $10^{-4}mol/L$ and it was decreased according to increase of dimethyl siloxyl content. HLB number of these surfactants was evaluated 9.5 to 11.5 range. These silicone surfactants is applied to self-emulsifier defoamer and personal care products as surface tension depressant, emulsifier, foam control agent.

• 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.

• Archives of Pharmacal Research
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• v.16 no.2
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• pp.134-139
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• 1993

The molecular structure of acemetacin, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid carboxymethyl ester, was determined by single cystal X-ray diffraction analysis. The compound was recrystallized from a mixture of acetone and water in triclinic, space group P1, with a=7.796(1), b=10.245(2), c=13.542(3)$\AA,\;\alpha=97.35(1),\;\beta=96.34(1),\;\gamma=107.06(1)^\circ$, and Z=2. The calculated density is 1.422; the observed value is $1.42\;g/cm^3$. The structure was solved by the direct method and refined by full matrix least-squares procedure to the final R value of 0,037 for 2960 independent reflections. There are water molecules, which are thought to be co-crystallized during the evaporation procedure, with the ratio of one water per compound molecule in the crystal. The conformation of the compound is found to be very similar to that of indomethacin. The molecules are stabilized by three O-H.....O type intermolecular hydrogen bonds between the oxygen of water molecule and those of the compound.

• Journal of Dental Rehabilitation and Applied Science
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• v.22 no.2
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• pp.193-202
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• 2006

Objective To evaluate the influence of water storage on the mechanical properties of dental adhesives over 1 and 3 months. Materials and Methods Adhesive resin sheets were prepared by pouring either All-bond 2(AB), Clearfil SE Bond(SE) into a mold measuring $15{\times}15{\times}0.9mm$. After solvent in primer evaporation, the adhesives were light-cured and removed from the mold and divided in two pieces, trimmed to hourglass shape that were used to determine the micro-tensile strength(MTS). Another hourglass shaped metal mold measuring $2.0{\times}1.5mm$ in cross-section area was made to determine the Young's modulus(E). Adhesive specimens for Young's modulus(E) were prepared in the same method. Specimens were stored at $37^{\circ}C$ in distilled water and tested after 1 and 3 months. The data were analyzed by one-way ANOVA and Tukey's test. Results Water storage significantly decreased the micro-tensile strength(MTS) of AB and SE specimens after 1 and 3 months(P<0.05). The Young's modulus(E) were also decreased after water storage for 1 and 3 months, but statistically not significant in each group of AB and SE group respectively. Conclusions Long-term exposure of adhesive resin to water can cause reduction of mechanical properties. It may compromise resin/dentin bonds and affect longevity of restorations.

• Journal of the Korean Chemical Society
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• v.19 no.4
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• pp.233-239
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• 1975

The configuration of two oxime groups in cis-2-butenedialdioxime, unsymmetrical compound conjugated by three double bonds, is determined by a NMR study on the effects of the solvent, temperature and concentration; it is certain that, in solutions of usual conditions, the configuration exists as only "syn-syn". And the relative strengths of the hydrogen bond between these oxime groups and several solvents are compared and somc effects of the temperature and concentration are also considered. The several models of hydrogen bond between oxime and solvents are proposed; especially it is to be noted here that the hydrogen bond in pyridine solvent is not resulted from the interaction between a lone electron pair on nitrogen atom of pyridine and the hydroxyl proton of oxime, but the result of $\pi$-complex formed between the $\pi$-orbital of pyridine and the hydroxyl proton of the solute.

• Journal of Integrative Natural Science
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• v.3 no.1
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• pp.1-6
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• 2010

Bis(silyl)alkylbenzenes such as bis(1-sila-sec-butyl)benzene (1) and 2-phenyl-1,3-disilapropane (2) were synthesized in high yields by the reduction of the corresponding chlorosilanes with $LiAlH_4$ in diethyl ether. The dehydrocoupling of 1 and 2 was performed using group IV metallocene complexes generated in situ from $Cp_2MCl_2$/Red-Al and $Cp_2MCl_2$/n-BuLi (M = Ti, Hf), producing two phases of polymers. The TGA residue yields of the insoluble polymers were in the range of 64-74%. The molecular weights of the soluble polymers produced ranged from 700 to 5000 ($M_w$ vs polystyrene using GPC) and from 500 to 900 ($M_w$ vs polystyrene using GPC). The dehydropolymerization of 1 and 2 seemed to initially produce a low-molecular-weight polymer, which then underwent an extensive cross-linking reaction of backbone Si-H bonds, leading to an insoluble network polymer.

• Korean Journal of Food Science and Technology
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• v.25 no.2
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• pp.148-153
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• 1993

Composition and structure of synthetic glucitol fatty acid polyesters (GPE)-a potential fat substitute-were investigated. Also degree of substitution (D.S) of GPE was determined according to the relative ester distribution within it to evaluate the feasibility of GPE using as a fat substitute. The GPE was separated into single ester group by a normal-phase HPLC and D.S of it was identified to be 6. Absorption band at $1747\;cm^{-1}$ in the IR spectrum of GPE indicated that there were ester bonds within GPE molecules. which link fatty acid moiety to glucitol. Disappearance of the hydroxyl proton signals of glucitol in the H-NMR spectrum of GPE implied that most of hydroxyl groups in glucitol participated in the formation of ester bonds with fatty acids. In addition the D.S estimated from the quantitative proton integration of GPE coincided well with the D.S of GPE determined by hydroxyl value measurement. In conclusion, the GPE synthesized in this study was found to be a glucitol fatty acid hexaester so that it is expected to be used as a fat substitute in the near future.