• Applied Chemistry for Engineering
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• v.32 no.1
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• pp.10-14
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• 2021

mCherry is one of the well-understood red fluorescent proteins which has a similar tertiary structure as GFPs, but pH resistant due to the lack of hydrogen bond network. Whereas mCherry-I202T showed far-red fluorescence and also pH sensitive property because of the additional hydrogen bond formed by substituting Ile of 202 amino acid sequence on mCherry with Thr. In order to verify the pH sensitive characteristic of mCherry-I202T owing to the extension of hydrogen bond, UV-vis spectrum was measured over the range of acidic to basic pH. We also demonstrate further possibilities of applying mCherry-I202T as a pH sensor.

• Journal of the Korean Chemical Society
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• v.20 no.1
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• pp.3-14
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• 1976

The crystal structure of alicylaldehyde-4-piperidinothiosemicarbazone, $C_{13}H_{l7}N_3OS$, has been determined by single crystal X-ray analysis. The crystals are orthorhombic, space group $P2_12_12_1$, with unit cell dimensions a = 6.52(2), b = 13.42(4), c = 14.92(4)${\AA}$. There are four formular units in a unit cell. The structure was solved by the heavy atom method and refined by isotropic block diagonal least-squares methods to a final R value of 0.10 for 1019 observed reflections. The oxygen atom of the hydroxyl group is involved in two hydrogen bonds, one as donor in the intramolecular O-H${\cdots}$N hydrogen bond and the other as acceptor in the intermolecular N-H${\cdots}$O hydrogen bond, the distances of the hydrogen bonds 2.56 and 3.00${\AA}$ respectively.The molecules are joined into infinite columns by the N-H${\cdots}o$O hydrogen bonds which form spirals along the two fold screw axis parallel to the a axis. The molecular columns are held together by van der Waals forces.

• Proceedings of the Korean Vacuum Society Conference
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• 2010.02a
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• pp.208-208
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• 2010

본 연구에서는 투명전도성산화막으로 적용 가능한 Ga이 도핑된 ZnO(GZO)의 성장 및 후처리 과정에 따른 구조적, 전기적, 광학적 특성을 관찰하였다. GZO 박막은 상온과 $200^{\circ}C$, 50~250 mTorr (50 mTorr 단계)에서 RF 마그네트론 스퍼터법으로 증착하였다. 이와 같은 조건에서 성장 된 박막의 특성을 분석하여 최적의 온도 및 작업압력에서 RF power를 변화시켜 박막을 성장한 후 질소 및 수소를 이용한 후처리 공정을 통하여 GZO 박막을 제작, 각 조건에 따른 구조적, 전기적 및 광학적 특성 변화를 조사하였다. XRD 측정에서, 열처리 전 시료에서는 GZO (002) 상의 Bragg-Angle 위치가 호스트 물질 ZnO의 기준위치보다 낮은 각도 쪽에서 나타났으며, 이는 Ga이 Zn와 치환되지 못하고 격자 내에 침입형태로 존재함에 따른 것으로 판단된다. 열처리 이후 전반적으로 분위기 가스의 종류에 관계없이 결정성, 광투과율 및 전기적 특성이 향상되는 것이 관측되었다. 질소 분위기에서 열처리된 GZO 박막의 경우, 전반적으로 박막 증착 시 초기 작업압력의 증가에 따라 비저항이 증가하는 현상이 관측되었다. 반면, 수소 분위기에서 열처리된 박막에서는 박막 증착 초기 작업 압력이 증가함에 따라 비저항이 감소하는 경향이 관측되었다. 이러한 결과는 XPS(X-Ray Photoelectron Spectroscopy)로 분석한 결과, 질소 분위기에서 열처리된 GZO 박막은 O-H 결합이 Zn-O 결합에 비해 과도하지 않은 반면, 수소화 처리된 GZO 박막에서 Zn-O 결합에 비해 과도한 O-H 결합이 존재하기 때문으로 관측되었다. 그러한 이유는 O-H 결합이 GZO 박막 내 산소 결공($V_o$)과 밀접한 관계가 있기 때문이며, O-H 결합의 증가는 $V_o$-H 결합체의 증가를 의미하기 때문이다.

• Proceedings of the Korean Fiber Society Conference
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• 2002.04a
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• pp.414-416
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• 2002

폴리비닐알코올 (poly(vinyl alcohol), PVA)는 분해되어 대부분의 성분이 물과 이산화탄소로 전환되는 가장 이상적인 환경친화성 고분자이다. PVA만의 특유한 반응인 비누화 과정에 의해 가지가 모두 제거되기 때문에 화학적인 방법에 의해 완벽한 선형고분자를 얻는 것이 가능하다. PVA는 측쇄에 존재하는 히드록시기의 강력한 수소결합 때문에 우수한 반응성 및 결합성을 보유한 유기 고분자로서, 수용성 뿐 아니라 다양한 소재와 상용성이 있는 것으로 알려져 있다(1-4). (중략)

• Applied Chemistry for Engineering
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• v.8 no.2
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• pp.262-266
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• 1997

The CNDO/2 calculations have been applied on cluster models for the representative hydroxyls on silica surface to get Wiberg bond orders, total energies, LUMO energies, dipole moments, and formal charge densities. The Br${\ddot{o}}$nsted acidities of suggested models for the hydroxyls were explained in terms of Wiberg bond orders. The calculated bond orders of cluster models have been changed remarkably according to the hydrogen bond. However the Lewis acidities of terminal hydroxyls on silica surface were not related to the structure of hydroxyls.

• Applied Biological Chemistry
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• v.51 no.3
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• pp.171-176
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• 2008

The comparative molecular similarity indices analysis (CoMSIA) models between 3${\beta}$-Hydroxy-12-oleanen-28-oic acid (1-30) analogues as substrate molecule and their inhibitory activities ($pI_{50}$) against protein tyrosine phosphatase (PTP)-1B were derived and discussed quantitatively. Listing in order, the CoMFA>CoMSIA${\geq}$HQSAR>2D-QSAR model, these QSAR models had the better statistical values. The optimized CoMSIA F1 model at grid 3.0${\AA}$ had the best predictability and fitness ($q^2$=0.754 and $r^2$=0.976) by field fit alignment. The order of contribution ratio (%) of CoMSIA fields concerning the inhibitory activities was a H-bond acceptor (48.9%), steric field (25.8%) and hydrophobic field (25.4%), respectively. Therefore, the inhibitory activities of substrate molecules against PTP-1B were dependent upon H-bond acceptor field (A) of $R_4$-group. From the analytical results of CoMSIA contour maps, oleanolic acid derivatives will have better inhibition activities if $R_1$ group has H-bond acceptor disfavor, $R_3$group has steric disfavor and $R_4$ group has steric, hydrophobic, H-bond favor.

• Journal of the Society of Cosmetic Scientists of Korea
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• v.35 no.4
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• pp.271-276
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• 2009

The 3-dimensional quantitative structure-activity relationships (3D-QSARs) models between the substituents with changing groups ($R_1$ & $R_2$) of 4-($R_1$)-benzyl alcohol and 4-($R_2$)-phenol derivatives as substrate molecule and their inhibitory activities against tyrosinase were derived and discussed quantitatively. The optimized CoMSIA 2 model have best predictability and fitness ($r^2\;=\;0.858$ & $q^2\;=\;0.951$). The contour maps of optimized CoMSIA 2 model showed that, the inhibitory activities of the analogues against tyrosinase were expected to increase when hydrophobic favor, negative charge favor, steric disfavor and hydrogen bond donor disfavor groups were substituted at the $R^2$ position. When the positive charge and the hydrogen bond donor favor groups were substituted at the $R_1$ position, it is predicted that the substituents will be able to increase the inhibitory activity. However, hydrogen bond acceptor did not affect inhibitory activities of tyrosinase.

• 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.

• Journal of the Korean Chemical Society
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• v.18 no.2
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• pp.97-109
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• 1974

The crystal and molecular structure of sulfaguanidine monohydrate, $C_7H_{10}N_4O_2S{\cdot}H_2O$, was determined from visually estimated intensity data from Weissenberg photographs. The crystal data are monoclinic, space group $P2_1$/c with four molecules in a unit cell of dimensions, ${\alpha}=7.57{\pm}0.03,\;b=5.44{\pm}0.02,\;c=24.76{\pm}0.06{\AA},\;{\beta}=91.0{\pm}0.2^{\circ}$. The structure has been solved by an interpretation of a Patterson map and with a help of a direct procedure on a projection. The parameters were refined isotropically by block-diagonal least-squares methods using 1542 observed independent reflections to give R = 0.14. By hydrogen bonding a guanidyl nitrogen of a sulfaguanidine molecule is linked to the sulfonyl oxygens of the other molecules indirectly through two different water molecules. The role of water molecule is both a donor and an acceptor in hydrogen-bonding formation and these hydrogen bonds are tetrahedrally oriented. The hydrogen-bonding networks form infinite molecular layers parallel to (001) plane.

• Journal of the Korean Chemical Society
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• v.46 no.3
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• pp.179-186
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• 2002

A molecular orbital analysis based on the extended Huckel calculations has been carried out to study the OH bond activation of water on the $TiO_2$(110) surface. $H_2O$ binds with its axis perpendicular to the surfac on top of the five-coordinate $Ti^{4+}$ atom via its $3a_1$ orbital. In this bonding situation, the two-coordinated bridging $O^{2-}$ atom ($O_b$, basic site) on $TiO_2$(110) is too distant from an H atom of water to form hydrogen-bondig interactions with water that facilitate O-H bond cleavage. It has been elucidated that the O-H bond is appreciably weakened when the water molecule is tilted to give a hydrogen bond with the $O_b$ atom. This mechanism includes mutual transfer of electron density from the $3a_1$ orbital of the water molecule to the $Ti^{4+} 3d_{z2}$ orbital and from the $O_b$ P orbitals to the $2b_1$ of the adsorbed water molecule This should result in lengthening of the O-H bond in the surface complex and the subsequent dissociation into the fragments OH and H.