• 공업화학
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• 제10권1호
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• pp.98-104
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• 1999

본 연구에서는 ECR플라즈마 화학증착법을 이용하여 반응기내 압력의 변화에 따라 수소화된 무정형 실리콘막을 증착하고 박막내 수소의 함량과 결합구조 및 전기적 특성을 조사하였다. 일반적인 CVD에 의해 제조된 a-Si:H막은 증착속도가 증가할수록 광감도는 감소하지만 ECR플라즈마의 경우 증착속도가 증가할수록 광감도가 향상되었다. 마이크로파 출력과 사일렌/수소 희석비, 반응기내 압력등이 동일한 실험 조건에서 증착시간에 따른 막의 두께는 선형적으로 증가하고 막내에 함유된 수소의 농도는 일정하지만, 반응시간이 짧은 경우 막내에 $SiH_2$결합이 SiH결합보다 많이 형성되어 광전도도를 저하시킬 수 있다. 반응기내 압력이 증가함에 따라 박막내에 SiH결합이 증가하여 광학 에너지 갭을 줄여 광전도도를 향상시킬 수 있었으나 암전도도의 증가로 광감도는 감소하였다. 따라서 양질의 박막을 얻기 위해서는 압력이 낮고 수소기체의 양이 적은 조건에서 성장시켜야 한다.

• 한국자기공명학회논문지
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• 제11권2호
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• pp.64-72
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• 2007

[ $^1H$ ] nuclear magnetic resonance (NMR) experiments have been performed at 30 - 300 K and 7 T to investigate dynamics of hydrogen bond network in the single crystal $(NH_4)_3H(SO_4)_2$. The two proton sites, ammonium proton and hydrogen-bond proton, are identified from the $^1H$ NMR MAS spectrum at 340 K. As temperature decreases, the $^1H$ NMR spectrum shifts to the higher frequency side with a larger linewidth. The spectrum at 65 K shows a distinctive change in line shape toward the ferroelectric transition at 63 K. The measured values of $T_1$ for ammonium and hydrogen-bond protons are similar in the whole range of temperature. $T_1$ of $^1H$ NMR shows a gradual decrease down to 120 K and starts to steeply increase below 100 K. Then $T_1$ shows abrupt decrease below 70 K with a sharp minimum at 63 K, where the ferroelectric transition occurs. This temperature dependence of spectrum and $T_1$ clearly prove that the large change in the dynamics of hydrogen bond network is associated with the ferroelectric phase transition at 63 K.

• 대한화학회지
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• 제19권4호
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• pp.233-239
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• 1975

세개의 二重結合에 衣하여 conjugate된 비대칭화합물 cis-2-bitenedialdioxime의 두 oxime group의 configuration을 溶媒, 溫度 및 濃度의 影響에 대한 NMR 硏究로서 決定하였다. 溶液狀態에서의 이 化合物은 $-35^{circ}$∼$-95^{\circ}C$의 溫度條件下에서는 항상 "syn-syn" configuration으로 存在함을 알았다. 또한 이 化合物의 oxime group과 溶媒사이의 水素結合의 相對的强度와 溫度 및 濃度에 의 피리딘의 考察하고 몇가지 水素結合의 모델을 提示하였다. 特히 피리딘溶媒 속에서는 水素結合은 한 영향을 窒素가 갖고 있는 非共有電子雙에 衣해서 일어나지 않고, oxime 의 hydroxyl proton과 피리딘의 $\pi$軌道函數 사이에 形成되는 $\pi$-착물의 結果임을 알았다.

• 대한화학회지
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• 제41권2호
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• pp.63-68
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• 1997

등유전성 용매내에서 분자간 상호작용과 액체구조에 대한 정보를 얻기 위하여 양성자성 용매(protic solvent)인 ROH(R=Me, Et)와 양극성 비양성자성 용매(dipolar aprotic solvent)인 MeCN,$Me_2CO,\;MeNO_2(or EtNO_2)$간의 이성분 혼합물에서 각 성분의 분몰 용해엔탈피를 열량계법으로 측정하고 이를 이용하여 mixing과정에 대한 잉여엔탈피를 결정하였다. 이로부터 두 성분간의 수소결합 세기는$ROH-ROH>ROH-Me_2CO>ROH-MeCN>ROH-MeNO_2(or EtNO_2)$순으로 감소하며, ROH의 수소결합주게 산도(hydrogen bond donor acidity)는 MeOH>EtOH의 순으로 감소하며 이로부터 이성분 액체혼합물이 형성될 때의 에너지론(energetics)에 미치는 가장 강한 상호작용이 특별한 수소결합에 기인됨을 알 수 있었다.

• 분석과학
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• 제36권3호
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• pp.128-134
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• 2023

병풀(Centella asiatica) 추출물인 asiaticoside와 madecassoside는 항균성 및 피부재생 등의 효과로 인해 아시아 지역에서 치료용 연고에 사용되고 있으며, 병풀의 재배 및 추출효율을 높이기 위한 연구가 상업화를 위해 활발히 진행되고 있다. 본 연구에서는 환경 친화적인 추출 용매인 deep eutectic solvents(DESs)가 병풀에서 asiaticoside와 madecassoside의 추출 효율에 미치는 영향을 관찰하기 위하여 다양한 수소결합 받개(hydrogen bond acceptor, HBA)와 주개(hydrogen bond donor, HBD)의 혼합 몰비(HBA1: HBD2, HBA1:HBD3, HBA1:HBD4, 그리고 HBA1:HBD5)로 제조하여 추출용매로 사용하였며, 용매 추출에서 일반적으로 사용되고 있는 추출용매인 증류수(DW)와 methanol (MeOH)의 추출 결과를 최적화된 HPLC조건으로 분리하여 정량 분석하였다. 그 결과, DW와 DES를 3:7로 혼합하여 사용한 경우가 단일 MeOH를 사용한 경우보다 약 1.4배 높은 추출 효율을 보였다. 반대로 MeOH과 DES를 3:7로 혼합하여 사용하는 경우에서는 단일 MeOH를 사용하는 경우보다 약 6 % 낮은 추출 효율을 보였다.

• BMB Reports
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• 제31권6호
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• pp.590-594
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• 1998

X-ray crystallographic studies of the deoxy form of human adult hemoglobin (Hb A) have shown that ${\beta}99Asp$ is hydrogen bonded to both ${\alpha}42Tyr$ and ${\alpha}97Asn$ in the ${\alpha}_1{\beta}_2$ subunit interface, suggesting that the essential role of ${\beta}99Asp$ is to stabilize the deoxy-Hb by creating the intersubunit hydrogen bond. In particular, for Hb Kempsey (${\beta}99Asp{\rightarrow}Asn$), molecular dynamics simulation indicated that a new hydrogen bond involving ${\beta}99Asn$ can be induced by replacing ${\alpha}42Tyr$ with a strong hydrogen-bond acceptor such as Asp. Designed mutant recombinant (r) Hb (${\beta}99Asp{\rightarrow}Asn$, ${\alpha}42Tyr{\rightarrow}Asp$) have been produced in the Escherichia coli expression system and have shown that functional defects of Hb Kempsey could be compensated by the ${\alpha}42Tyr{\rightarrow}Asp$ substitution. However, as the ${\alpha}42 Tyr{\rightarrow}Asp$ mutation has never been reported before, it is still possible that the functional properties of r Hb (${\beta}99Asp{\rightarrow}Asn$, ${\alpha}42Tyr{\rightarrow}Asp$) may be due to the mutation itself. Thus, it is required to produce r Hb (${\alpha}42Tyr{\rightarrow}Asp$) and r Hb Kempsey (${\beta}99Asp{\rightarrow}AsnX$( as controls, and to compare their properties with those of r Hb (${\beta}99Asp{\rightarrow}Asn$, ${\alpha}42Tyr{\rightarrow}Asp$). r Hb (${\alpha}42Tyr{\rightarrow}Asp$) could not be purified because it is an unstable hemoglobin which forms Heinz bodies. r Hb Kempsey (${\beta}99Asp{\rightarrow}Asn$) exhibits very high oxygen affinity and greatly reduced cooperativity. Thus, r Hb (${\beta}99Asp{\rightarrow}Asn$) and r Hb (${\alpha}42Tyr{\rightarrow}Asp)$ compensate each other.

• Molecules and Cells
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• 제38권5호
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• pp.409-415
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• 2015

Low-barrier hydrogen bonds (LBHBs) have been proposed to have important influences on the enormous reaction rate increases achieved by many enzymes. ${\Delta}^5$-3-ketosteroi isomerase (KSI) catalyzes the allylic isomerization of ${\Delta}^5$-3-ketosteroid to its conjugated ${\Delta}^4$-isomers at a rate that approache the diffusion limit. Tyr14, a catalytic residue of KSI, has been hypothesized to form an LBHB with the oxyanion of a dienolate steroid intermediate generated during the catalysis. The unusual chemical shift of a proton at 16.8 ppm in the nuclear magnetic resonance spectrum has been attributed to an LBHB between Tyr14 $O{\eta}$ and C3-O of equilenin an intermediate analogue, in the active site of D38N KSI. This shift in the spectrum was not observed in Y30F/Y55F/D38N and Y30F/Y55F/Y115F/D38N mutant KSIs when each mutant was complexed with equilenin, suggesting that Tyr14 could not form LBHB with the intermediate analogue in these mutant KSIs. The crystal structure of Y30F/Y55F/Y115F/D38N-equilenin complex revealed that the distance between Tyr14 $O{\eta}$ and C3-O of the bound steroi was within a direct hydrogen bond. The conversion of LBHB to an ordinary hydrogen bond in the mutant KSI reduced the binding affinity for the steroid inhibitors by a factor of 8.1-11. In addition, the absence of LBHB reduced the catalytic activity by only a factor of 1.7-2. These results suggest that the amount of stabilization energy of the reaction intermediate provided by LBHB is small compared with that provided by an ordinary hydrogen bond in KSI.

• 대한화학회지
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• 제14권2호
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• pp.147-153
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• 1970

Band assignments in the infrared absorption spectra of the four substituted Urea compounds, Fenuron (3-phenyl-1,1-dimethyl urea), OMU (3-cyclooctyl-1,1-dimethyl urea), Herban (3-(hexahydro-4,7-methanoidan-5-yl)-l,1-dimethyl urea), and Monuron (3-(p-chlorophenyl)-1,1-dimethyl urea), are made by analyzing the spectra obtained with various solvents. The results suggest that Fenuron and Monuron, each of which contain an unsaturated benzene ring, have a strong tendency to bond through both the amino group and the carbonyl oxygen. Herban and OMU, however, exhibit a much greater change in strength of the carbonyl bond than of the amino bond. It means that a strong hydrogen bonding occurs only at the carbonyl oxygen in the compounds.

• Bulletin of the Korean Chemical Society
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• 제9권3호
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• pp.126-129
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• 1988

Lithium bonded complexes with $H_2O$ molecule were investigated theoretically by varying the substituent of lithium compound as follows; LiH, LiLi, $LiCH_3,\;LiNH_2$, LiOH, LiF, and LiCl. Some hydrogen bonded complexes with $H_2O$ molecule were also investigated to be compared with lithium bonded analogues. Electron correlation effect on the structures and energies of lithium bond was also investigated through MP2 and MP4 corrections. Unlike hydrogen bond with $H_2O$ molecule, lithium bonded complexes with $H_2O$ molecule were found to be interacting linearly with $H_2O$ molecule. Electron correlation effect was very small for lithium bonded complexes. The lithium bond energies were found to be less affected by the choice of substituent of lithium compound.

• 공업화학
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• 제33권4호
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• pp.425-430
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• 2022

L-alanine (LA, as an amino acid residue) pentamer model was used to investigate changes in the dihedral angle, intramolecular hydrogen bonding and formation energies during structural optimization. LA pentamers having four conformation types [𝛽: 𝜑/𝜓=t-/t+, 𝛼: 𝜑/𝜓=g-/g-, PP_II: 𝜑/𝜓=g-/t+ and P-like: 𝜑/𝜓= g-/g+] were carried out by quantum chemical calculations (QCC) [B3LYP/6-31G(d,p)]. In LA, 𝛽, 𝛼, and P-like types did not change by optimization, having an intra-molecular hydrogen bond: NH⋯OC (H-bond), and PP_II types in the absence of H-bond were transformed into P-like at the designated 𝜓 of 140°, and to 𝛽 at that of 160° or 175°. P-like and 𝛼 were about 0.5 kcal/mol/mu more stable than 𝛽. In order to understand the processes of the transformations, the changes of 𝜑/𝜓, distances of NH-OC (d_NH/CO) and formation energies (𝜟E, kcal/mol/mu) were examined.