• Title/Summary/Keyword: Molecular structures

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Mechanical properties and deformation behavior of carbon nanotubes calculated by a molecular mechanics approach

  • Eberhardt, Oliver;Wallmersperger, Thomas
    • Smart Structures and Systems
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    • v.13 no.4
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    • pp.685-709
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    • 2014
  • Carbon nanotubes are due to their outstanding mechanical properties destined for a wide range of possible applications. Since the knowledge of the material behavior is vital regarding the possible applications, experimental and theoretical studies have been conducted to investigate the properties of this promising material. The aim of the present research is the calculation of mechanical properties and of the mechanical behavior of single wall carbon nanotubes (SWCNTs). The numerical simulation was performed on basis of a molecular mechanics approach. Within this approach two different issues were taken into account: (i) the nanotube geometry and (ii) the modeling of the covalent bond. The nanotube geometry is captured by two different approaches, the roll-up and the exact polyhedral model. The covalent bond is modeled by a structural molecular mechanics approach according to Li and Chou. After a short introduction in the applied modeling techniques, the results for the Young's modulus for several SWCNTs are presented and are discussed extensively. The obtained numerical results are compared to results available in literature and show an excellent agreement. Furthermore, deviations in the geometry stemming from the different models are given and the resulting differences in the numerical findings are shown. Within the investigation of the deformation mechanisms occurring in SWCNTs, the basic contributions of each individual covalent bond are considered. The presented results of this decomposition provide a deeper understanding of the governing deformation mechanisms in SWCNTs.

Ultra-Drawing of Gel Films of Ultra High Molecular Weight Polyethylene/Low Molecular Weight Polymer Blends Containing $BaTiO_3$ Nanoparticles

  • Park Ho-Sik;Lee Jong-Hoon;Seo Soo-Jung;Lee Young-Kwan;Oh Yong-Soo;Jung Hyun-Chul;Nam Jae-Do
    • Macromolecular Research
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    • v.14 no.4
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    • pp.430-437
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    • 2006
  • The ultra-drawing process of an ultra high molecular weight polyethylene (UHMWPE) gel film was examined by incorporating linear low-density polyethylene (LLDPE) and $BaTiO_3$ nanoparticles. The effects of LLDPE and the draw ratios on the morphological development and mechanical properties of the nanocomposite membrane systems were investigated. By incorporating $BaTiO_3$ nanoparticles in the UHMWPE/LLDPE blend systems, the ultra-drawing process provided a highly extended, fibril structure of UHMWPE chains to form highly porous, composite membranes with well-dispersed nanoparticles. The ultra-drawing process of UHMWPE/LLDPE dry-gel films desirably dispersed the highly loaded $BaTiO_3$ nanoparticles in the porous membrane, which could be used to form multi-layered structures for electronic applications in various embedded, printed circuit board (PCB) systems.

Molecular Characteristics and Functional Properties of Barley Starches with Varying Amylose Content

  • You, Sang-Guan;Kim, Sang-Moo
    • Preventive Nutrition and Food Science
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    • v.10 no.3
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    • pp.207-213
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    • 2005
  • Molecular structures and functional properties of starches isolated from normal, waxy, and zero amylose barleys were examined. Amylopectins from zero amylose starch had the largest molecular weight $(M_w)$, whereas those from high amylose starch, the smallest. A good correlation between the $(M_w)$ and the radius of gyration $(R_g)$ was observed among amylopectins from various starches, indicating similar polymeric conformation in solution even with the differences in the $(M_w)$. The debranched amylopectin molecules from different types of barley starches exhibited similar profiles, implying that the packing geometry of double helices in the different types of barley starches may be similar. Zero amylose starch showed the highest peak viscosity (326 RVU) in RV A viscograms at lower pasting temperature $(67.6^{\circ}C)$, compared to normal and high amylose starches. Relationship between RVA peak viscosity and amylose content suggested that the presence of amylose inhibited the development of granular swelling of barley starches during cooking. A rapid retrogradation, traced by differential scanning calorimetry (DSC) and strain-controlled rheometry, occurred in the high amylose starch sample during storage, while zero amylose starch showed a very good resistance to retrogradation, indicating excellent storage stability.

MicroRNA biogenesis and function in higher plants

  • Jung, Jae-Hoon;Seo, Pil Joon;Park, Chung-Mo
    • Plant Biotechnology Reports
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    • v.3 no.2
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    • pp.111-126
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    • 2009
  • MicroRNAs (miRNAs) are endogenous, non-coding, small RNA molecules consisting of 21-24 nucleotides (nts) that regulate target genes at the posttranscriptional level in plants and animals. In plants, miRNAs negatively regulate target mRNAs containing a highly complementary sequence by either mRNA cleavage or translational repression. MiRNAs are processed from single-stranded precursors containing stem-loop structures by a Dicer-like enzyme and are loaded into silencing complexes, where they act on target mRNAs. Although plant miRNAs were first reported in Arabidopsis 10 years later than animal miRNAs, numerous miRNAs have since been identified from various land plants ranging from mosses to flowering plants, and their roles in diverse aspects of plant developmental processes have been characterized. Furthermore, most of the annotated plant miRNAs are evolutionarily conserved in various plants. In particular, recent functional studies using Arabidopsis mutants have contributed a great deal of information towards establishing a framework for understanding miRNA biogenesis and functional roles. Extensive appraisal of miRNA-directed regulation during a wide array of plant development and plant responses to environmental conditions has confirmed the versatile roles of miRNAs as a key component of plant molecular biology.

Structural Control and Two-Dimensional Order of Organic Thiol Self-Assembled Monolayers on Au(111)

  • No, Jae-Geun
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.02a
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    • pp.26-26
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    • 2011
  • Self-assembled monolayers (SAMs) prepared by sulfur-containing organic molecules on metal surfaces have drawn much attention for more than two decades because of their technological applications in wetting, chemical and biosensors, molecular recognition, nanolithography, and molecular electronics. In this talk, we will present self-assembly mechanism and two-dimensional (2D) structures of various organic thiol SAMs on Au(111), which are mainly demonstrated by molecular-scale scanning tunneling microscopy (STM) observation. In addition, we will provide some idea how to control 2D molecular arrangements of organic SAMs. For instance, the formation and surface structure of pentafluorobenzenethiols (PFBT) self-assembled monolayers (SAMs) on Au(111) formed from various experimental conditions were examined by means of STM. Although it is well known that PFBT molecules on metal surfaces do not form ordered SAMs, we clearly revealed for the first time that adsorption of PFBT on Au(111) at $75^{\circ}C$ for 2 h yields long-range, well-ordered self-assembled monolayers having a $(2{\times}5\sqrt{13})R30^{\circ}$ superlattice. Benzenethiols (BT) SAMs on gold usually have disordered phases, however, we have clearly demonstrated that the displacement of preadsorbed cyclohexanethiol self-assembled monolayers (SAMs) on Au(111) by BT molecules can be a successful approach to obtain BT SAMs with long-range ordered domains. Our results will provide new insight into controlling the structural order of BT or PFBT SAMs, which will be very useful in precisely tailoring the interface properties of metal surfaces in electronic devices.

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Novel Fabrication of Designed Silica Structures Inspired by Silicatein-a

  • Park, Ji-Hun;Kwon, Sun-Bum;Lee, Hee-Seung;Choi, In-Sung S.
    • Proceedings of the Korean Vacuum Society Conference
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    • 2012.02a
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    • pp.557-557
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    • 2012
  • Silicatein-${\alpha}$, the enzyme extracted from silica spicules in glass sponges, has been studied extensively in the way of chemistry from 1999, in which the pioneering work by Morse, D. E. - the discovery of the enzymatic hydrolysis in Silicatein-${\alpha}$ - was published. Since its reaction conditions are physiologically favored, synthesis of various materials, such as gallium oxide, zirconium oxide, and silicon oxide, was achieved without any hazardous wastes. Although some groups synthesized oxide films and particles, they have not achieved yet controlled morphogenesis in the reaction conditions mentioned above. With the knowledge of catalytic triad involved in hydrolysis of silicone alkoxide and oligomerization of silicic acid, we designed the novel peptide amphiphiles to not only form self-assembled structure, but also display similar activities to silicatein-${\alpha}$. Designed templates were able to self-assemble into left-handed helices for the peptide amphiphiles with L-form amino acid, catalyzing polycondensation of silicic acids onto the surface of them. It led to the formation of silica helices with 30-50 nm diameters. These results were characterized by various techniques, including SEM, TEM, and STEM. Given the situation that nano-bio-technology, the bio-applicable technology in nanometer scale, has been attracting considerable attention; this result could be applied to the latest applications in biotechnology, such as biosensors, lab-on-a-chip, biocompatible nanodevices.

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A Novel Classification of Polymorphs Using Combined LIBS and Raman Spectroscopy

  • Han, Dongwoo;Kim, Daehyoung;Choi, Soojin;Yoh, Jack J.
    • Current Optics and Photonics
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    • v.1 no.4
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    • pp.402-411
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    • 2017
  • Combined LIBS-Raman spectroscopy has been widely studied, due to its complementary capabilities as an elemental analyzer that can acquire signals of atoms, ions, and molecules. In this study, the classification of polymorphs was performed by laser-induced breakdown spectroscopy (LIBS) to overcome the limitation in molecular analysis; the results were verified by Raman spectroscopy. LIBS signals of the $CaCO_3$ polymorphs calcite and aragonite, and $CaSO_4{\cdot}2H_2O$ (gypsum) and $CaSO_4$ (anhydrite), were acquired using a Nd:YAG laser (532 nm, 6 ns). While the molecular study was performed using Raman spectroscopy, LIBS could also provide sufficient key data for classifying samples containing different molecular densities and structures, using the peculiar signal ratio of $5s{\rightarrow}4p$ for the orbital transition of two polymorphs that contain Ca. The basic principle was analyzed by electronic motion in plasma and electronic transition in atoms or ions. The key factors for the classification of polymorphs were the different electron quantities in the unit-cell volume of each sample, and the selection rule in electric-dipole transitions. The present work has extended the capabilities of LIBS in molecular analysis, as well as in atomic and ionic analysis.

New Characterization Methods for Block Copolymers and their Phase Behaviors

  • Park, Hae-Woong;Jung, Ju-Eun;Chang, Tai-Hyun
    • Macromolecular Research
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    • v.17 no.6
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    • pp.365-377
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    • 2009
  • In this feature article, we briefly review the new methods we have utilized recently in the investigation of morphology and phase behavior of block copolymers. We first describe the chromatographic fractionation method to purify block copolymers from their side products of mainly homopolymers or block copolymer precursors inadvertently terminated upon addition of the next monomer in the sequential anionic polymerization. The chromatographic method is extended to the fractionation of the individual block of diblock copolymers which can yield the diblock copolymer fractions of different composition and molecular weight, which also have narrower distributions in both molecular weight and composition. A more detailed phase diagram could be constructed from the set of block copolymer fractions without the need of acquiring many block copolymers each prepared by anionic polymerization. The fractions with narrow distribution in both molecular weight and composition exhibit better long-range ordering and sharper phase transition. Next, epitaxial relationships between two ordered structures in block copolymer thin film is discussed. We employed the direct visualization method, transmission electron microtomography(TEMT) to scrutinize the grain boundary structure.

Taxonomic study of three new Antarctic Asterochloris (Trebouxiophyceae) based on morphological and molecular data

  • Kim, Jong Im;Kim, Yong Jun;Nam, Seung Won;So, Jae Eun;Hong, Soon Gyu;Choi, Han-Gu;Shin, Woongghi
    • ALGAE
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    • v.35 no.1
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    • pp.17-32
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    • 2020
  • Asterochloris is one of the most common genera of lichen phycobionts in Trebouxiophyceae. Asterochloris phycobionts associated with the lichenized fungi Cladonia and Stereocaulon in King George Island (Antarctica) and Morro Chico (Chile), were isolated and then used to establish clonal cultures. To understand the phylogenetic relationships and species diversity of Antarctic Asterochloris species, molecular and morphological data were analyzed by using three microscopy techniques (light, confocal laser and transmission electron) and a multi-locus phylogeny with data from the nuclear-encoded internal transcribed spacer (ITS) rDNA and the actin and plastid-encoded ribulose bisphosphate carboxylase large chain (rbcL) coding genes. Morphological data of three Antarctic strains showed significant species-specific features in chloroplast while molecular data segregated the taxa into distinct three clades as well. Each species had unique molecular signatures that could be found in secondary structures of the ITS1 and ITS2. The species diversity of Antarctic Asterochloris was represented by six taxa, namely, A. glomerata, A. italiana, A. sejongensis, and three new species (A. antarctica, A. pseudoirregularis, A. stereocaulonicola).

Influence of Ammonia Solvation on the Structural Stability of Ethylene Cluster Ions

  • Jung Kwang Woo;Choi Sung-Seen;Jung Kwang Woo;Hang Du-Jeon
    • Bulletin of the Korean Chemical Society
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    • v.13 no.3
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    • pp.306-311
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    • 1992
  • The stable structures of pure ethylene and mixed ethylene-ammonia cluster ions are studied using an electron impact ionization time-of-flight mass spectrometer. Investigations on the relative cluster ion distributions of $(C_2H_4)_n(NH_3)_m^+$ under various experimental conditions suggest that $(C_2H_4)_2(NH_3)_3^+$ and $(C_2H_4)_3(NH_3)_2^+$ ions have the enhanced structural stabilities, which give insight into the feasible structure of solvated ions. For the stable configurations of these ionic species, we report an experimental evidence that both $(C_2H4)_2^+(C_2H_4)_3^+$ clusters as the central cations provide three and two hydrogen-bonding sites, respectively, for the surrounding $NH_3$ molecules. This interpretation is based on the structural stability for ethylene clusters and the intracluster ion-molecular rearrangement of the complex ion under the presence of ammonia solvent molecules.