• Title/Summary/Keyword: strong hydrogen bonding

검색결과 67건 처리시간 0.092초

이분자막 형성능을 가지는 인산형 양친매성 화합물의 단분자막 특성 (Monolayer Characteristics of Bilayer Forming Phosphate Amphiphiles)

  • 김종목
    • 멤브레인
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    • 제5권2호
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    • pp.89-96
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    • 1995
  • Azobenzene기를 가지는 인산형 양친매성 화합물의 기/액 계면에 있어서으 단분자막 거동이 $\pi-A$ 곡선 및 표면흡수스펙트라로 검토되었다. 분자간의 강한 수소결합력을 가지는 이 화합물들은 수면에 전개 후 즉시 결정화하여 단분자막 domain들을 형성한 회합체 흡수스펙트라를 나타내었다. 그러나 subphase의 조건(분자량이 큰 유가염의 첨가 및 pH의 상승)을 변화시킴에 의해 결정 domain 형성을 제어하는 것이 가능하였다. 한편, 금속이온 첨가는 인산령 양친매성 단분자막의 분재배향상태를 변화시켰다. 금속이온의 전하가 높을수록 ($1\leq2$ < 3 < 4 가), azobenzene기를 가지는 양친매성 화합물의 분자상태가 tilt된 배향성에 기인하는 장파장으로 이동한 흡수극대를 나타내었다. 이것은 서로 다른 전하를 가진 금속이온을 흡착시킴에 의해 단분자막의 분자배향성을 변화시켜, 단분자막의 집합상태 제어 가능성을 시사한다.

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Elucidation of the Molecular Interaction between miRNAs and the HOXA9 Gene, Involved in Acute Myeloid Leukemia, by the Assistance of Argonaute Protein through a Computational Approach

  • Das, Rohit Pritam;Konkimalla, V. Badireenath;Rath, Surya Narayan;Hansa, Jagadish;Jagdeb, Manaswini
    • Genomics & Informatics
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    • 제13권2호
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    • pp.45-52
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    • 2015
  • Acute myeloid leukemia is a well characterized blood cancer in which the unnatural growth of immature white blood cell takes place, where several genes transcription is regulated by the micro RNAs (miRNAs). Argonaute (AGO) protein is a protein family that binds to the miRNAs and mRNA complex where a strong binding affinity is crucial for its RNA silencing function. By understanding pattern recognition between the miRNAs-mRNA complex and its binding affinity with AGO protein, one can decipher the regulation of a particular gene and develop suitable siRNA for the same in disease condition. In the current work, HOXA9 gene has been selected from literature, whose deregulation is well-established in acute myeloid leukemia. Four miRNAs (mir-145, mir-126, let-7a, and mir-196b) have been selected to target mRNA of HOXA9 (NCBI accession No. NM_152739.3). The binding interaction between mRNAs and mRNA of HOXA9 gene was studied computationally. From result, it was observed mir-145 has highest affinity for HOXA9 gene. Furthermore, the interaction between miRNAs-mRNA duplex of all chosen miRNAs are docked with AGO protein (PDB ID: 3F73, chain A) to study their interaction at molecular level through an in silico approach. The residual interaction and hydrogen bonding are inspected in Discovery Studio 3.5 suites. The current investigation throws light on understanding of AGO-assisted miRNA based gene silencing mechanism in HOXA9 gene associated in acute myeloid leukemia computationally.

불균일계 비누화를 통한 폴리비닐알코올/셀룰로오스 필름 제조 (Fabrication of Poly(vinyl alcohol)/Cellulose Film by Heterogeneous Saponification)

  • 김태영;김미경;김진수;이정언;정재훈;김영권;김태현;염정현
    • 한국염색가공학회지
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    • 제35권4호
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    • pp.214-220
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    • 2023
  • Poly(vinyl alcohol) (PVA) is a common hydrophilic polymer that is synthesized through the saponification reaction of poly(vinyl ester)-based polymers, mostly using poly(vinyl acetate) (PVAc) as a precursor. The heterogeneous saponification reaction of poly(vinyl ester)-based films leads to PVA films with new surface properties. Cellulose acetate (CA), in which the hydroxyl group of cellulose is replaced by an acetyl group, is a typical cellulose derivative capable of overcoming the low processability of cellulose due to strong hydrogen bonding. In this study, P(VAc/VPi)/CA blended films were prepared by the solvent casting, and then PVA/Cellulose blended films with improved surface properties were prepared by heterogeneous saponification. The structural changes caused by heterogeneous saponification were confirmed by FT-IR analysis, where both saponification and deacetylation reactions occurred in the saponification solution. In addition, the surface property changes were analyzed by FE-SEM and contact angle analyses, and the transmittance changes of the modified films were also assessed.

고정층 반응기에서 K-계열 흡수제의 압력에 따른 HCl 흡수 거동 연구 (Effect of Pressure on HCl Absorption Behaviors of a K-based Absorbent in the Fixed Bed Reactor)

  • 김재영;박영철;조성호;류호정;백점인;박영성;문종호
    • 청정기술
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    • 제19권2호
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    • pp.165-172
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    • 2013
  • 본 연구에서는 고정층 반응기(높이 15 cm, 내경 0.5 cm)에서 K-계열 건식 흡수제($K_2CO_3/Al_2O_3$, 한국전력공사 전력연구원)를 이용하여 반응압력 변화에 따른 염화수소 흡수 실험을 수행하였다. 반응온도는 가스화 직후, 필터를 거쳐서 주입되는 것을 가정하여 $400^{\circ}C$로 설정하였으며, 반응기체 농도는 750 ppm HCl ($N_2$ balance)으로 설정하였다. 반응압력은 1, 5, 10, 15, 20 bar로 증가시켰다. 압력이 증가할수록 K-계열 흡수제의 흡수 성능이 증가하였다. 흡수제를 구성하고 있는 주요 물질인 $K_2CO_3$가 HCl 가스와 반응하여 KCl 결정을 형성하였으며, 강한 결합에너지로 인하여 흡수제의 재생이 실질적으로 불가능하였다. 이에 대한 광학적, 물리적, 화학적 특성을 SEM, EDX, BET, TGA, XRD를 이용하여 분석하였다. $400^{\circ}C$, 20 bar 조건(가스화 이후 탈할로겐 공정의 온도 및 압력조건)에서 $K_2CO_3$ 흡수제는 Ca 계열 및 Mg 계열의 흡수제에 비해 높은 HCl 흡수능 및 HCl/$N_2$ 분리 거동을 보였다.

Characteristic of Aromatic Amino Acid Substitution at α96 of Hemoglobin

  • Choi, Jong-Whan;Lee, Jong-Hyuk;Lee, Kwang-Ho;Lee, Hyean-Woo;Sohn, Joon-Hyung;Yoon, Joon-Ho;Yeh, Byung-Il;Park, Seung-Kyu;Lee, Kyu-Jae;Kim, Hyun-Won
    • BMB Reports
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    • 제38권1호
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    • pp.115-119
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    • 2005
  • Replacement of valine by tryptophan or tyrosine at position $\alpha$96 of the $\alpha$ chain ($\alpha$96Val), located in the ${\alpha}_1{\beta}_2$ subunit interface of hemoglobin leads to low oxygen affinity hemoglobin, and has been suggested to be due to the extra stability introduced by an aromatic amino acid at the $\alpha$96 position. The characteristic of aromatic amino acid substitution at the $\alpha$96 of hemoglobin has been further investigated by producing double mutant r Hb ($\alpha$42Tyr$\rightarrow$ Phe, $\alpha$96Val$\rightarrow$Trp). r Hb ($\alpha$42Tyr$\rightarrow$Phe) is known to exhibit almost no cooperativity in binding oxygen, and possesses high oxygen affinity due to the disruption of the hydrogen bond between $\alpha$42Tyr and $\beta$99Asp in the ${\alpha}_1{\beta}_2$ subunit interface of deoxy Hb A. The second mutation, $\alpha$96Val$\rightarrow$Trp, may compensate the functional defects of r Hb ($\alpha$42Tyr$\rightarrow$Phe), if the stability due to the introduction of trypophan at the $\alpha$96 position is strong enough to overcome the defect of r Hb ($\alpha$42Tyr$\rightarrow$Phe). Double mutant r Hb ($\alpha$42Tyr$\rightarrow$Phe, $\alpha$96Val$\rightarrow$Trp) exhibited almost no cooperativity in binding oxygen and possessed high oxygen affinity, similarly to that of r Hb ($\alpha$42Tyr$\rightarrow$Phe). $^1$H NMR spectroscopic data of r Hb ($\alpha$42Tyr$\rightarrow$Phe, $\alpha$96Val$\rightarrow$Trp) also showed a very unstable deoxy-quaternary structure. The present investigation has demonstrated that the presence of the crucible hydrogen bond between $\alpha$42Tyr and $\beta$99Asp is essential for the novel oxygen binding properties of deoxy Hb ($\alpha$96Val$\rightarrow$Trp).

Molecular Dynamics Simulation Study for Ionic Strength Dependence of RNA-host factor Interaction in Staphylococcus aureus Hfq

  • Lazar, Prettina;Lee, Yun-O;Kim, Song-Mi;Chandrasekaran, Meganathan;Lee, Keun-Woo
    • Bulletin of the Korean Chemical Society
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    • 제31권6호
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    • pp.1519-1526
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    • 2010
  • The behavior of peptide or protein solutes in saline aqueous solution is a fundamental topic in physical chemistry. Addition of ions can strongly alter the thermodynamic and physical properties of peptide molecules in solution. In order to study the effects of added ionic salts on protein conformation and dynamics, we have used the molecular dynamics (MD) simulations to investigate the behavior of Staphylococcus aureus Hfq protein under two different ionic concentrations: 0.1 M NaCl and 1.0 M NaCl in presence and absence of RNA (a hepta-oligoribonucleotide AU5G). Hfq, a global regulator of gene expression is highly conserved and abundant RNA-binding protein. It is already reported that in vivo the increase of ionic strength results in a drastic reduction of Hfq affinity for $Q{\beta}$ RNA and reduces the tendency of aggregation of Escherichia coli host factor hexamers. Our results revealed the crucial role of 0.1 M NaCl Hfq system on the bases with strong hydrogen bonding interactions and by stabilizing the aromatic stacking of Tyr42 residue of the adjacent subunits/monomers with the adenine and uridine nucleobases. An increase in RNA pore diameter and weakened compactness of the Hfq-RNA complex was clearly observed in 1.0 M NaCl Hfq system with bound RNA. Aggregation of monomers in Hfq and the interaction of Hfq with RNA are greatly affected due to the presence of high ionic strength. Higher the ionic concentration, weaker is the aggregation and interaction. Our results were compatible with the experimental data and this is the first theoretical report for the experimental study done in 1980 by Uhlenbeck group for the present system.

폴리아민 나노 복합체를 이용한 고분자-실리카 복합체 입자 합성 (Synthesis of Polymer-Silica Hybrid Particle by Using Polyamine Nano Complex)

  • 김동영;서준희;이병진;강경구;이창수
    • 청정기술
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    • 제27권2호
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    • pp.115-123
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    • 2021
  • 본 연구는 무기 실리카 껍질(shell)과 유기 고분자 코어(core)로 구성된 매우 균일한 유-무기 복합체 입자 제조의 방법에 관한 것이다. 먼저, 미세유체 기술을 이용하여 균일한 크기를 지니는 유기 고분자 코어 입자를 제조하였다. 코어 입자의 제조 과정에서 코어 입자의 제조 과정에서 광 경화성 유기 물질이 포함된 분산상과 연속상의 유속을 독립적으로 제어함으로써 균일한 액적을 형성하였다. 액적이 형성됨과 동시에, 미세유체 채널의 말단에서 자외선 조사에 의해 액적이 광중합 되어 코어 입자로 형성된다. 더불어, 폴리알릴아민 하이드로클로라이드(polyallylamine hydrochloride, PAH)와 인산 이온(phosphate ion)으로 구성된 나노 복합체는 최적화된 pH 조건에서 수소결합과 정전기적 인력 같은 강력한 상호작용을 통해 코어 입자에 코팅된다. 폴리아민 나노 복합체에 존재하는 PAH 주쇄의 아민 그룹들은 규산(silicic acid)의 축합(condensation) 반응을 촉매하여, 코어 입자 표면의 실리카 나노입자 성장을 시킬 수 있었다. 따라서, 본 방법을 통해 유기 코어에 무기 실리카 나노입자로 코팅된 유-무기 복합체 입자를 제조할 수 있었다. 최종적으로, 본 연구에서 제시한 방법은 보다 온화하며 환경친화적인 조건 하에서 단시간 내에 유-무기 복합체 입자를 합성할 수 있으며, 다양한 모양과 크기를 갖는 코어 입자에 적용되어 넓게 활용될 수 있다.