• Title/Summary/Keyword: Molecular structures

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A Study on the Prediction of the Cetane Number of Diesel Fuels from the Carbon Types Structural Compositions by 13C-Nuclear Magnetic Resonance Spectroscopy (13C-NMR에 의해 결정된 탄소 유형별 구조적 조성으로부터 디이젤 연료의 세탄가의 예측에 관한 연구)

  • Choi, Ju-Hwan;Chun, Yong-Jin;Choi, Ung-Su;Choi, Young-Sang;Kwon, Oh-Kwan
    • Applied Chemistry for Engineering
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    • v.4 no.4
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    • pp.709-714
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    • 1993
  • The cetane number is a measure of ignition quality, specifically ignition delay, of diesel fuel. It is an engine measure of kinetic phenomena. The ignition quality such as kinetic behavior does correlate with the molecular structure, the carbon type structural composition. In fact, we use the group additivity rule to dissect the molecular structures and predict cetane number. In this study, the use of $^{13}C-Nuclear$ Magnetic Resonance spectroscopic measuring the molecular structure and group additivity rule at different diesel fuels, whose cetane numbers were determined on a number of standard cetane rating engines is proposed to predict cetane numbers that relate the carbon type structural composition. The effect of the molecular structures on the cetane numbers has been studied.

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Relationship between Molecular Structure Characteristics of Feed Proteins and Protein In vitro Digestibility and Solubility

  • Bai, Mingmei;Qin, Guixin;Sun, Zewei;Long, Guohui
    • Asian-Australasian Journal of Animal Sciences
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    • v.29 no.8
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    • pp.1159-1165
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    • 2016
  • The nutritional value of feed proteins and their utilization by livestock are related not only to the chemical composition but also to the structure of feed proteins, but few studies thus far have investigated the relationship between the structure of feed proteins and their solubility as well as digestibility in monogastric animals. To address this question we analyzed soybean meal, fish meal, corn distiller's dried grains with solubles, corn gluten meal, and feather meal by Fourier transform infrared (FTIR) spectroscopy to determine the protein molecular spectral band characteristics for amides I and II as well as ${\alpha}$-helices and ${\beta}$-sheets and their ratios. Protein solubility and in vitro digestibility were measured with the Kjeldahl method using 0.2% KOH solution and the pepsin-pancreatin two-step enzymatic method, respectively. We found that all measured spectral band intensities (height and area) of feed proteins were correlated with their the in vitro digestibility and solubility ($p{\leq}0.003$); moreover, the relatively quantitative amounts of ${\alpha}$-helices, random coils, and ${\alpha}$-helix to ${\beta}$-sheet ratio in protein secondary structures were positively correlated with protein in vitro digestibility and solubility ($p{\leq}0.004$). On the other hand, the percentage of ${\beta}$-sheet structures was negatively correlated with protein in vitro digestibility (p<0.001) and solubility (p = 0.002). These results demonstrate that the molecular structure characteristics of feed proteins are closely related to their in vitro digestibility at 28 h and solubility. Furthermore, the ${\alpha}$-helix-to-${\beta}$-sheet ratio can be used to predict the nutritional value of feed proteins.

Molecular Sieve Properties for $CH_4/CO_2$ of Activated Carbon Fibers Prepared by Benzene Deposition (벤젠 증착에 의해 제조된 활성탄소섬유의 $CH_4/CO_2$ 분자체 성질)

  • Moon, Seung-Hyun;Shim, Jae-Woon
    • Journal of Korean Society of Environmental Engineers
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    • v.27 no.6
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    • pp.614-619
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    • 2005
  • The activated carbon fibers of different surface area and pore structures were modified by carbon deposition from the pyrolysis of benzene, in an attempt to obtain carbon molecular sieves of high adsorption capacity and selectivity for the separation of $CO_2/CH_4$ gas mixtures. The ACFs molecular sieves prepared from different temperature and time were tested by the static adsorption of $CO_2$ and $CH_4$ gas, and their pore structures were characterized by the $N_2$ adsorption isotherms. We are able to prepare ACF molecular sieve with good selectivity for $CO_2/CH_4$ separation and showing acceptable adsorption capacities from the change of porosity by carbon deposition of pyrolyzed benzene.

Structural Changes of Homopolymer Polypropylene Foam with Molecular Weights and Rheological Properties : (1) In Batch Process (분자량 및 유변 특성에 따른 단일 중합체 폴리프로필렌의 발포체 변화 : (1) 회분식 공정)

  • 홍다윗;윤광중;이기윤
    • Polymer(Korea)
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    • v.26 no.1
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    • pp.61-70
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    • 2002
  • The effects of molecular weights and rheological properties of polypropylene (PP), on its foam structures in batch process were investigated. The effects of crosslinking process were also considered in this study. The rheological properties of polypropylene, such as storage modulus(G'), loss modulus(G"), zero shear viscosity($\eta_O$), and relaxation time($\lambda$), increased with the increase of molecular weights, and these increases in rheological properties directly affected the stability improvements of the PP foam. The increase of crosslinked PP's gel content stopped at the irradiation dose of 3.2 Mrad. The development of foam structures was more enhanced as the irradiation dose increased up to 3.2 Mrad. When the irradiation dose exceeded 3.2 Mrad, however, it negatively affected the structural development of the foam by diminishing gel contents of the foaming material, which resulted in instability of the foam structure.ture.

Structural and Biochemical Characterization of the Two Drosophila Low Molecular Weight-Protein Tyrosine Phosphatases DARP and Primo-1

  • Lee, Hye Seon;Mo, Yeajin;Shin, Ho-Chul;Kim, Seung Jun;Ku, Bonsu
    • Molecules and Cells
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    • v.43 no.12
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    • pp.1035-1045
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    • 2020
  • The Drosophila genome contains four low molecular weight-protein tyrosine phosphatase (LMW-PTP) members: Primo-1, Primo-2, CG14297, and CG31469. The lack of intensive biochemical analysis has limited our understanding of these proteins. Primo-1 and CG31469 were previously classified as pseudophosphatases, but CG31469 was also suggested to be a putative protein arginine phosphatase. Herein, we present the crystal structures of CG31469 and Primo-1, which are the first Drosophila LMW-PTP structures. Structural analysis showed that the two proteins adopt the typical LMW-PTP fold and have a canonically arranged P-loop. Intriguingly, while Primo-1 is presumed to be a canonical LMW-PTP, CG31469 is unique as it contains a threonine residue at the fifth position of the P-loop motif instead of highly conserved isoleucine and a characteristically narrow active site pocket, which should facilitate the accommodation of phosphoarginine. Subsequent biochemical analysis revealed that Primo-1 and CG31469 are enzymatically active on phosphotyrosine and phosphoarginine, respectively, refuting their classification as pseudophosphatases. Collectively, we provide structural and biochemical data on two Drosophila proteins: Primo-1, the canonical LMW-PTP protein, and CG31469, the first investigated eukaryotic protein arginine phosphatase. We named CG31469 as DARP, which stands for Drosophila ARginine Phosphatase.

Molecular Dynamics (MD) Study of Polymeric Membranes for Gas Separation (기체 분리용 고분자 분리막의 분자동력학 연구)

  • Park, Chi Hoon;Kim, Deuk Ju;Nam, Sang Yong
    • Membrane Journal
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    • v.24 no.5
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    • pp.341-349
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    • 2014
  • Molecular dynamics (MD) computer simulation is a very useful tool to calculate the trajectory and velocity of particles (generally, atoms), and thus to analyze the various structures and kinetic properties of atoms and molecules. For gas separation membranes, MD has been widely used for structure analysis of polymers such as free volume analysis and conformation search, and for the study of gas transport behavior such as permeability and diffusivity. In this paper, general methodology how to apply MD on gas separation membranes will be described and various related researches will be introduced.

GMR in Multilayers with an Alternating In-plane and Perpendicular Anisotropy

  • Stobiecki, F.;Szymanski, B.;Lucinski, T.;Dubowik, J.;Urbaniak, M.;Roll, K.;Kim, J.B;Kim, K.W;Lee, Y.P
    • Journal of Magnetics
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    • v.9 no.2
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    • pp.40-46
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    • 2004
  • The magnetic properties of sputtered ($Ni_{83}Fe_{17}/Au/Co/Au$) multilayers with various thicknesses of Au (0.5 {\leq} t_{Au} {\leq} 3 nm), Ni-Fe ($1{\leq}t_{Ni-Fe}{\leq}4nm$) and Co ($0.2{\leq}t_{co}{\leq}1.5nm$) layers were characterized. An alternating in-plane and out-of-plane anisotropy of the ferromagnetic layers was achieved for the structures ($t_{Au}{\geq}1.5nm$) showing a weak coupling between the Ni-Fe layers with an in-plane anisotropy and the Co layers ($0.3{\leq}t_Co{\leq}1.2nm$) with a perpendicular anisotropy. For such a structure, a detailed discussion on the GMR effect is presented, relating to the magnetization reversal from a mutually perpendicular magnetic configuration at the remanence to a parallel one at the saturation. An influence of the dense labyrinth domain structure on the magnetoresistance effect is also addressed.

Differentiation of CD31-Positive Vascular Endothelial Cells from Organoid Culture of Dental Pulp Stem Cells

  • Seo, Eun Jin;Park, Jae Kyung;Jeong, Hoim;Kang, Jung Sook;Kim, Hyung-Ryong;Jang, Il Ho
    • International Journal of Oral Biology
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    • v.43 no.2
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    • pp.77-82
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    • 2018
  • The mesenchymal stem cells (MSCs) that reside in dental tissues hold a great potential for future applications in regenerative dentistry. In this study, we used human dental pulp cells, isolated from the molars (DPCs), in order to establish the organoid culture. DPCs were established after growing pulp cells in an MSC expansion media (MSC-EM). DPCs were subjected to organoid growth media (OGM) in comparison with human dental pulp stem cells (DPSCs). Inside the extracellular matrix in the OGM, the DPCs and DPSCs readily formed vessel-like structures, which were not observed in the MSC-EM. Immunocytochemistry analysis and flow cytometry analysis showed the elevated expression of CD31 in the DPCs and DPSCs cultured in the OGM. These results suggest endothelial cell-prone differentiation of the DPCs and DPSCs in organoid culture condition.

The Homodimerization of Thalictrum tuberosum O-Methyltransferases by Homology-based Modelling

  • Yang, Hee-Jung;Ahn, Joong-Hoon;Jeong, Karp-Joo;Lee, Sang-San;Lim, Yoong-Ho
    • Bulletin of the Korean Chemical Society
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    • v.24 no.9
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    • pp.1256-1260
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    • 2003
  • Two O-methyltransferases, OMTII-1 and OMTII-4 of meadow rue Thalictrum tuberosum showed a high sequence identity. Of 364 amino acids only one residue is not the same, which is Tyr21 or Cys21. Even if the 21st residues in these OMTs are not included in the binding sites of the enzymes, binding affinities of the enzyme homodimers over the same substrate are very different. While the binding affinity of one homodimer over caffeic acid is 100%, that of the other is 25%. Authors tried to predict the three-dimensional structures of Thalictrum tuberosum O-methyltransferases using homology-based modelling by a comparison with caffeic acid O-methyltransferase, and explain the reason of the phenomenon mentioned above based on their three dimensional structural studies. In the enzyme homodimer, the better binding affinity may be caused by the shorter distance between the 21st residue and the binding site of the other monomer.

EMPAS: Electron Microscopy Screening for Endogenous Protein Architectures

  • Kim, Gijeong;Jang, Seongmin;Lee, Eunhye;Song, Ji-Joon
    • Molecules and Cells
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    • v.43 no.9
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    • pp.804-812
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    • 2020
  • In cells, proteins form macromolecular complexes to execute their own unique roles in biological processes. Conventional structural biology methods adopt a bottom-up approach starting from defined sets of proteins to investigate the structures and interactions of protein complexes. However, this approach does not reflect the diverse and complex landscape of endogenous molecular architectures. Here, we introduce a top-down approach called Electron Microscopy screening for endogenous Protein ArchitectureS (EMPAS) to investigate the diverse and complex landscape of endogenous macromolecular architectures in an unbiased manner. By applying EMPAS, we discovered a spiral architecture and identified it as AdhE. Furthermore, we performed screening to examine endogenous molecular architectures of human embryonic stem cells (hESCs), mouse brains, cyanobacteria and plant leaves, revealing their diverse repertoires of molecular architectures. This study suggests that EMPAS may serve as a tool to investigate the molecular architectures of endogenous macromolecular proteins.