• Title/Summary/Keyword: 분자 구조의 이해

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Study of Surface Properties on Fouling Resistance of Reverse Osmosis Membranes (역삼투 분리막 표면 특성의 내오염성 상관 관계 연구)

  • 김노원
    • Membrane Journal
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    • v.12 no.1
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    • pp.28-40
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    • 2002
  • The primary objective of this study is to elucidate the contribution of the electrostatic and molecula structural properties of an active layer of the thin film compsite (TFC) membranes to fouling tendency. The studies of surface morphology and surface charge were very effective in understanding fouling behaviors of the reverse osmosis (RO) membranes which were the thin film composite type of ployamide. Results of microscopic morphology analyzed by atomic force microscopy (AFM) and surface charge analyzed by electrokinetic analyzer (EKA) showed important factors affecting the fouling of RO membranes. The active layer of the composite membrane possessing realtively neutral streaming charge and less roughness provided a RO membrane with slowly decreasing flux.

Recent Research Trend in Functional Glasses Through Computational and Theoretical Modeling (전산모델링 기반 기능성 유리 소재 연구동향)

  • Ahn, Yong Nam
    • Prospectives of Industrial Chemistry
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    • v.24 no.3
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    • pp.1-13
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    • 2021
  • 유리 소재는 뛰어난 기계적, 화학적, 광학 특성으로 인해 다양한 영역에서 광범위하게 활용되어 왔으며, 최근에는 특정 물성이 강화된 기능성 유리 수요가 다양한 산업 영역에서 급속히 증가하고 있다. 유리 소재 분야에서의 연구 개발은 유리 특유의 비정질 구조 및 다원소 조성 특성에 의한 복합성 때문에 전통적으로 경험에 기반한 실험 기법에 의존하여 왔다. 그러나 적용 분야에 따른 맞춤형 물성 강화에 대한 필요성이 증대됨에 따라, 핵심 물성 발현 원리 등을 원자 단위에서 이해하고 이를 바탕으로 기능성 유리 소재를 설계하는 접근법이 주목받고 있다. 원자단위 시뮬레이션 및 이론 기반 모델링은 유리 소재의 다양한 물성과 조성 변화에 따른 원자 구조의 상관관계를 매우 효율적으로 분석할 수 있는 기법이다. 본 기고문 에서는 밀도범함수이론, 분자동역학 및 위상속박이론을 활용한 기능성 유리 소재 개발 및 연구 동향에 대해서 소개하고자 한다.

Basic Principles of MR

  • 김성은
    • Proceedings of the KSMRM Conference
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    • 1999.04a
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    • pp.1-9
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    • 1999
  • 핵자기 공명(NMR:nuclear magnetic resonance)은 19451건 Bloch, Procell등에 의해 처음으로 실험적으로 입증된 후에 생화학 및 약학 분야에서 분자단위의 물질의 성분, 구조, 대사물질의 역학적 운동 및 상태에 관한 정보를 아는데 유용한 기법으로 사용 되어 왔다. 의학분야에서는 Lauterber등에 의해 자기공명영상볍(Magnetic Resonance Imaging:MRI)으로 개발되어 질병의 진단 및 치료에 많은 공헌을 하게되었다. 해부학적영상 뿐 아니라 분석방법으로 병변 부위 및 인체 기관에서의 각종 대사물질의 정량적인 양과 변화를 알 수 있는 자기공명분광기법(magnetic resonance spectroscopy:MRS)도 활발한 임상적용이 이루어지고 있다. 자기공명영상법의 활발한 임상적 응용 및 새로운 technique이해를 위해서는 물리학적 개념(MR Physics)을 이해하는 것이 매우 중요하다.

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Smell Perception Process and Olfactory Sensor (냄새의 인지과정과 후각 센서)

  • 박태현;윤응식
    • KSBB Journal
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    • v.13 no.6
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    • pp.631-637
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    • 1998
  • The theoretical research of olfaction began about a hundred years ago and the electrophysiological expermental techniques have been used for the olfaction research from 1950's. However, olfaction has not been studied so much as other senses. Recently interest in the offaction mereases for its industrial applications. We descenbe the companson of vertibrate and insect olfactory organs, smell perception mechanism, olfactory signaing transduction, and industnal applications f olfactory system, it is expected that the vanous ongeing researches on the olfactory system will contribute to sensor and scent industnes.

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In situ photoemission and inverse photoemission studies on the interfacial electronic structures of organic materials (In situ 광전자분광/역광전자분광 분석을 이용한 유기물 계면의 전자구조 연구)

  • Yi, Yeonjin
    • Vacuum Magazine
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    • v.2 no.2
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    • pp.4-11
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    • 2015
  • During last two decades, remarkable progresses have been made in organic electronic devices, such as organic light-emitting device, organic photovoltaic and many other applied devices. Many of these progress are attributed to the multilayered/heterojunction device architectures, which could be achieved from the control of "interfacial energetics". In that sense, the interfacial electronic structures in organic electronic devices have a decisive role in device performance. However, the prediction of the interfacial electronic structures from each separate material is not trivial. Many complex phenomena occur at the interface and these can be only understood from thorough measurements on interfacial electronic structures in situ. Photoemission and inverse photoemission spectroscopy have been known as the most proper measurement tools to analyze these interfacial electronic structures. In this review, the basic principles of (inverse) photoemission spectroscopy and typical measurement results on organic/inorganic interfaces are introduced.

The Search of Pig Pheromonal Ordorants for Biostimulation Control System Technology: IV. Comparative Molecular Similarity Indices Analyses (CoMSIA) on the Binding Affinities between Ligands of 2-(Cyclohexyloxy)-tetrahydrofurane Derivatives and Porcine Ordorant Binding Protein (생물학적 자극 통제 수단으로 활용하기 위한 돼지 페로몬성 냄새 물질의 탐색: IV. 2-(Cyclohexyloxy)tetrahydrofurane 유도체와 Porcine Odorant Binding Protein 사이의 결합 친화력에 관한 비교분자 유사성 지수분석(CoMSIA))

  • Sung, Nack-Do;Park, Chang-Sik;Jang, Seok-Chan;Choi, Kyung-Seob
    • Reproductive and Developmental Biology
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    • v.30 no.3
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    • pp.169-174
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    • 2006
  • To search of a new porcine pheromonal odorants, the comparative molecular similarity indices analysis(CoMSIA) between porcine odorant binding protein(pOBP) as receptor and ligands of green odorants 2-(Cyclohexyloxy)tetrahydrofurane derivatives as substrate molecule were conducted and disscused quantitatively. In the optimized CoMSIA model(I-AI) with chirality($I:\;C_{1'}(R),\;C_2(S)$) in substrate molecules and atom based fit alignment(AE) of the odorants the statistical PLS results showed the best predictability of the binding affinities based on the LOO cross-validated value ${r^2}_{cv.}\;(q^2=0.856)$ and non cross-validated conventional coefficient(${r^2}_{ncv.}=0.964)$). The structural distinctions of the highest active molecules were able to understand from the interaction between pOBP and green odorants in the contour maps with CoMSIA model.

3D-QSARs analyses for Tyrosinase Inhibitory Activity of 2-Phenyl-1,4-benzopyrone (Flavones) Analogues and Molecular Docking (2-Phenyl-1,4-benzopyrone 유도체 (Flavones)의 Tyrosinase 저해활성에 관한 3D-QSARs 분석과 분자도킹)

  • Park, Joon-Ho;Sung, Nack-Do
    • Journal of Applied Biological Chemistry
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    • v.53 no.4
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    • pp.225-231
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    • 2010
  • To understand the inhibitory activity with changing hydroxyl substituents ($R_l-R_9$) of polyhydroxy substituted 2-phenyl-l,4-benzopyrone analogues (1-25) against tyrosinase (PDB ID: oxy-form; 1WX2), molecular docking and the three dimensional quantitative structure-activity relationships (3D-QSARs: Comparative molecular field analysis (CoMFA) & Comparative molecular similarity indices analysis (CoMSIA)) were studied quantitatively. The statistically best models were CoMFA 1 and CoMSIA 1 model from the results. The optimized CoMSIA 1 model with the sensitivity of the perturbation and the prediction produced ($dq^2'/dr_{yy'}^2$=1.009 & $q^2$=0.51l) by a progressive scrambling analysis were not dependent on chance correlation. The inhibitory activities with optimized CoMSIA 1 model were dependent upon electrostatic factor (51.4%) of substrate molecules. Contour mapping the 3D-QSAR models to the active site of tyrosinase provides new insight into the interaction between tyrosinase as receptor and 2-phenyl-l,4-benzopyrone analogues as inhibitor. Therefore, the results will he able to apply to the optimization of a new potent tyrosinase inhibitors.

Two Class Approximation of TLB (Tomato Late Blight) Activity Data (토마토 역병균 항균 활성 데이터의 이분번 근사모델링)

  • Hahn, Hoh-Gyu;M.D., Ashek Ali;Cho, Seung-Joo
    • The Korean Journal of Pesticide Science
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    • v.9 no.2
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    • pp.140-145
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    • 2005
  • Quantitative Structure Activity Relationship (QSAR) assumes the relatedness between physical property and biological activity. However, activity data measured at single concentration such as percent activity have not been used extensively for modeling purpose. This probably comes from the fact that these values are qualitative instead of quantitative. To utilize percent activity data for molecular modeling, we classified the whole data into two classes. One class represents the active while the other signifies the inactive. The percent activity data of ${\beta}$-Ketoacetoanilides measured for TLB (Tomato Late Blight) were investigated. CoMFA (Comparative Molecular Field Analysis) was used as a discriminant function. Using CoMFA provides 3D (three dimensional) information, which is crucial for chemical insight. It can also serve as a predictive model. The resultant model classified the given data correctly (98%). When LOO (leave-one-out) crossvalidation procedure was applied, the classification accuracy was 69%. Therefore two class approximation of percent activity data with CoMFA can be utilized to understand the relationship between chemical structure and biological activity and design subsequent chemical analogs.

Family of Hsp70 Molecular Chaperones and Their Regulators (Hsp70 분자 샤페론과 조절인자)

  • Chung, Kyung-Tae
    • Journal of Life Science
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    • v.17 no.12
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    • pp.1760-1765
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    • 2007
  • Proteins are involved in promoting or controlling virtually every event on which our lives depend. Proteins are synthesized in cytosol and in the endoplasmic reticulum where their synthesis machinery are tightly controlled. However, not all of newly synthesized proteins are survived and conduct their essential functions to maintain cell's lives. It was reported that one-third of synthesized proteins are rapidly destroyed by proteasome under the most physiological conditions. full-length translated proteins, which survived, must undergo proper folding and assemble process. Some proteins are spontaneously folded while others require molecular chaperones and folding enzymes to be properly folded. Molecular chaperones are ubiquitously present within the subcellular organelles and from bacteria to animals and plants. Among those members of Hsp70 family have been extensively studied and their regulators have been discovered in the last decade. Here, a brief overview is presented for functional mechanism of Hsp70 homologues and the roles of their regulators. Since biological function of Hsp70 family other than chaperonic function are expending the review would give basic understanding of partnership between Hsp70 family and their regulators.

Effect of Molecular Weight Distribution of Intrinsically Microporous Polymer (PIM-1) Membrane on the CO2 Separation Performance (마이크로기공 고분자(PIM-1)의 분자량 분포에 따른 이산화탄소 기체 분리막의 성능 변화 연구)

  • Ji Min Kwon;Hye Jeong Son;Jin Uk Kim;Chang Soo Lee
    • Membrane Journal
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    • v.33 no.6
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    • pp.362-368
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    • 2023
  • This research article explores the application of Polymer of Intrinsic Microporosity (PIM-1) as a cutting-edge material for CO2 gas separation membranes in response to the escalating global concern over climate change and the imperative to reduce greenhouse gas emissions. The study delves into the synthesis, molecular weight control, and fabrication of PIM-1 membranes, providing comprehensive insights through various characterization techniques. The intrinsic microporosity of PIM-1, arising from its unique crosslinked and rigid structure, is harnessed for selective gas permeation, particularly of carbon dioxide. The article emphasizes the tunable chemical properties of PIM-1, allowing for customization and optimization of gas separation membranes. By controlling the molecular weight, higher molecular weight (H-PIM-1) membranes are demonstrated to exhibit superior CO2 permeability and selectivity compared to lower molecular weight counterparts (L-PIM-1). The study's findings highlight the critical role of molecular weight in tailoring PIM-1 membrane properties, contributing to the advancement of next-generation membrane technologies for efficient and selective CO2 capture-an essential step in addressing the pressing global challenge of climate change.