• Computers and Concrete
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• v.27 no.2
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• pp.111-130
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• 2021

In the present work, an extensive study for predicting efficiency parameters (��i) of various simulated nanocomposites including Polymethyl methacrylate (PMMA) as matrix and different structures including various sizes of graphene platelets (GPLs), single, double, and multi-walled carbon nanotubes (SWCNTs-DWCNTs-MWCNTs), and single and double-walled boron nitride nanotubes (SWBNNTs-DWBNNTs) are investigated. It should be stated that GPLs, carbon and boron nitride nanotubes (CNTs, BNNT) with different chiralities (5, 0), (5, 5), (10, 0), and (10, 10) as reinforcements are considered. In this research, molecular dynamics (MDs) method with Materials studio software is applied to examine the mechanical properties (Young's modulus) of simulated nanocomposite boxes and calculate η1 of each nanocomposite boxes. Then, it is noteworthy that by changing length (6.252, 10.584, and 21.173 nm) and width (7.137, 10.515, and 19.936) of GPLs, ��1, ��2, and ��3 approximately becomes (0.101, 0.114, and 0.124), (1.15, 1.22, and 1.26), (1.04, 1.05, and 1.07) respectively. After that efficiency parameters of SWCNTs, DWCNTs, and MWCNTs are calculated and discussed separately. Finally efficiency parameters of SWBNNTs and DWBNNTs with different chiralities by PMMA as matrix are determined by MD and discussed separately. It is known that the accurate efficiency parameters helps a lot to calculate the properties of nanocomposite analytically. In particular, the obtained results from this research can be used for analytical work based on the extended rule of mixture (ERM) in bending, buckling and vibration analysis of structure in future study.

• ALGAE
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• v.35 no.4
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• pp.337-347
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• 2020

Haraldiophyllum hawaiiense sp. nov. is described as a new mesophotic alga and a new genus record for the Hawaiian Islands. Six specimens were collected at a depth range of 81-93 m from Papahānaumokuākea Marine National Monument, and their morphology investigated, as well as molecular phylogenetic analyses of the plastidial ribulose-1,5-bisphosphate carboxylase-oxygenase large-subunit (rbcL) gene and a concatenated alignment of rbcL and nuclear large-subunit rRNA gene (LSU) sequences. Phylogenetic analyses supported H. hawaiiense sp. nov. as a distinct lineage within the genus Haraldiophyllum, and sister to a large clade containing the type species, H. bonnemaisonii, as well as H. crispatum and an undescribed European specimen. The six Hawaiian specimens were shown to be identical, but unique among other species of the genus as well as the recently segregated genus Neoharaldiophyllum, which comprises half of the species previously included in Haraldiophyllum. The vegetative morphology of H. hawaiiense sp. nov. resembles Neoharaldiophyllum udoense (formerly H. udoensis); however, no female or post-fertilization structures were found in the Hawaiian specimens to allow a more comprehensive comparison. The molecular phylogenies demonstrate that Haraldiophyllum is paraphyletic, suggesting either that the Myriogrammeae tribe includes undescribed genera, including Haraldiophyllum sensu stricto, or that Neoharaldiophyllum species should be transferred into the genus Haraldiophyllum. However, based on vegetative morphology and molecular analyses, and pending resolution of this taxonomic issue, the Hawaiian specimens are placed within the genus Haraldiophyllum. This new record for the Hawaiian Islands highlights the novel biodiversity from mesophotic depths, reaffirming the need for further investigation into the biodiversity of Mesophotic Coral Ecosystems.

• Biomolecules & Therapeutics
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• v.29 no.5
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• pp.506-518
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• 2021

The imprinted tumour suppressor NOEY2 is downregulated in various cancer types, including ovarian cancers. Recent data suggest that NOEY2 plays an essential role in regulating the cell cycle, angiogenesis and autophagy in tumorigenesis. However, its detailed molecular function and mechanisms in ovarian tumours remain unclear. In this report, we initially demonstrated the inhibitory effect of NOEY2 on tumour growth by utilising a xenograft tumour model. NOEY2 attenuated the cell growth approximately fourfold and significantly reduced tumour vascularity. NOEY2 inhibited the phosphorylation of the signalling components downstream of phosphatidylinositol-3'-kinase (PI3K), including phosphoinositide-dependent protein kinase 1 (PDK-1), tuberous sclerosis complex 2 (TSC-2) and p70 ribosomal protein S6 kinase (p70S6K), during ovarian tumour progression via direct binding to vascular endothelial growth factor receptor-2 (VEGFR-2). Particularly, the N-terminal domain of NOEY2 (NOEY2-N) had a potent anti-angiogenic activity and dramatically downregulated VEGF and hypoxia-inducible factor-1α (HIF-1α), key regulators of angiogenesis. Since no X-ray or nuclear magnetic resonance structures is available for NOEY2, we constructed the three-dimensional structure of this protein via molecular modelling methods, such as homology modelling and molecular dynamic simulations. Thereby, Lys15 and Arg16 appeared as key residues in the N-terminal domain. We also found that NOEY2-N acts as a potent inhibitor of tumorigenesis and angiogenesis. These findings provide convincing evidence that NOEY2-N regulates endothelial cell function and angiogenesis by interrupting the VEGFR-2/PDK-1/GSK-3β signal transduction and thus strongly suggest that NOEY2-N might serve as a novel anti-tumour and anti-angiogenic agent against many diseases, including ovarian cancer.

• Korean Journal of Weed Science
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• v.15 no.1
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• pp.85-98
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• 1995

Six malformin B's produced by Aspergillus niger van Tiegh. were separated by HPLC. Their structures determined by the methods of amino acid analyses, mass spectrometry, and two-dimensional NMR were revealed as cyclic pentapeptides structurally related to malformin $A_1$. Both the NMR and MS/MS data suggest that the respective structures of separated malformin B's were as follows; cyclo-D-Cys-D-Cys-L-Val-D-Leu-L-allo-Ile for $B_{1a}$, cyclo-D-Cys-D-Cys-L-Val-D-Leu-L-Leu for $B_{1b}$, cyclo-D-Cys-D-Cys-L-Val-D-Val-L-Leu for $B_2$, cyclo-D-Cys-D-Cys-L-Val-D-Ile-L-Leu for $B_3$, cyclo-D-Cys-D-Cys-L-Val-D-Ile-L-Ile for $B_4$, and cyclo-D-Cys-D-Cys-L-Val-D-Val-L-Ile for $B_5$. Among the malformin B's, the structure of $B_{1b}$ was the same as that of malformin $A_3$ or C. All the malformin B's showed physiological activities in the two assay systems using corn(Zea mays L.) roots and mung bean(Phaseolus aureus Roxb.) hypercotyl segments. The malformin B's with molecular weight 529 were more effective for inducing corn root curvature than those with molecular weight 515. The difference in molecular weight of malformin B's, i.e., the retention time on HPLC, results in the polarity change of the whole malformin molecule which affects the revealation of the malformin activities. In addition, the disulfide form of the malformin B's gives the rigidity of the molecule, whereas the combination of the fourth and the fifth amino acid residues provides the optimal three-dimensional configuration to the malformin receptor of plants. Presumably, these two factors are appeared to be essential for the greatest physiological activity of malformin B's. malformin $B_{1a}$ caused the corn root curvature by 90% at a concentration of $0.25{\mu}M$. However, such differential activities with molecular weight of 529 or 515 of malformin B's were not found in the mung bean hypercotyl segment test. Maximum stimulation of mung bean hypercotyl growth was observed at $0.1{\mu}M$ concentration of malformin B's. The growth of the segments treated with $B_5$ was 154% greater than that of the control.

• Journal of Astronomy and Space Sciences
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• v.17 no.2
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• pp.199-210
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• 2000

We present the results from narrow-band spectrophotometry of Comet Hale-Bopp (C/1995 O1) near perihelion obtained at Sobaeksan Optical Astronomy Observatory 61cm telescope equipped with PM 512 CCD camera(512$\times$512, 0.5"/pixel) and narrow-band filter set for the comet on 19 nights from February 21 to May 1, 1997. We discuss molecular emission band morphology and photometric behavior of Comet Hale-Bopp. The morphology of CN band shows more symmetric light distributions than $C_2$ or $C_3$ bands. On other hand, $C_2$ and $C_3$ band have more compact light distributions than CN band. Similar to wide-band image, molecular band morphology shows spiral structures at the core of the comet. The CN surface brightness variation with changing heliocentric distance shows difference from those of $C_2$ and $C_3$. The brightness, however, of these molecular bands near perihelion shows previously known 7day period light variations.

• Korean Journal of Food Science and Technology
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• v.46 no.6
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• pp.682-688
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• 2014

The in vitro digestibility and molecular and crystalline structures of rice starches (Seilmi, Dasan1, and Segoami) with differing amylose content were investigated. Segoami had the highest amylose content (30.9%), whereas Dasan1 had the lowest amylose content (21.2%). The molecular weight ($\bar{M}_w$) of amylose and amylopectin in Segoami was much lower than that of the other two rice starches. Segoami had the highest proportion (8.7%) of amylopectin short branch chains (DP 6-12) and the lowest proportion of B1 chains (DP 13-24). The relative crystallinity, intensity ratio of $1047-1022cm^{-1}$ (1047/1022) and gelatinization enthalpy followed the order: Segoami>Seilmi~Dasan1. Segoami showed substantially low pasting viscosity. Rapidly digestible starch (RDS), slowly digestible starch (SDS), and resistant starch (RS) contents showed the highest value in Seilmi, Dasan1, and Segoami, respectively. The expected glycemic index (eGI) of Segoami was lower than that of the other two rice starches. Overall results suggested that the digestibility of rice starch could be highly influenced by their molecular and crystalline structure.

• Molecules and Cells
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• v.37 no.10
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• pp.719-726
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• 2014

The ${\gamma}$-Aminobutyric acid (GABA) that is found in prokaryotic and eukaryotic organisms has been used in various ways as a signaling molecule or a significant component generating metabolic energy under conditions of nutrient limitation or stress, through GABA catabolism. Succinic semialdehyde dehydrogenase (SSADH) catalyzes the oxidation of succinic semialdehyde to succinic acid in the final step of GABA catabolism. Here, we report the catalytic properties and two crystal structures of SSADH from Streptococcus pyogenes (SpSSADH) regarding its cofactor preference. Kinetic analysis showed that SpSSADH prefers $NADP^+$ over $NAD^+$ as a hydride acceptor. Moreover, the structures of SpSSADH were determined in an apo-form and in a binary complex with $NADP^+$ at $1.6{\AA}$ and $2.1{\AA}$ resolutions, respectively. Both structures of SpSSADH showed dimeric conformation, containing a single cysteine residue in the catalytic loop of each subunit. Further structural analysis and sequence comparison of SpSSADH with other SSADHs revealed that Ser158 and Tyr188 in SpSSADH participate in the stabilization of the 2'-phosphate group of adenine-side ribose in $NADP^+$. Our results provide structural insights into the cofactor preference of SpSSADH as the gram-positive bacterial SSADH.

• Proceedings of the Korean Vacuum Society Conference
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• 2012.08a
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• pp.139-139
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• 2012

With angle resolved photoemission spectroscopy (ARPES), the surface electronic band structures of Pt3Co (111) and Pt3Ni (111) single crystals are investigated, which allow to study the bonding interaction between chemically absorbed atomic oxygen and its surfaces. The d-band electrons of subsurface TM are separated from the direct chemical bonding with atomic oxygen. That is, the TM does not contribute to direct chemical bonding with oxygen. From the density functional theory (DFT) calculations, it is identified that the main origin of improved oxygen absorption property, i.e. softening of Pt-O bonding, is due to the suppression of Pt surface-states which is generated from change of interlayer potential, i.e. charge polarization, between Pt-top and TM-subsurface. Our results point out the critical roles of subsurface TM in modifying surface electronic structures, which in turn can be utilized to tune surface chemical properties.

• Journal of the Korean Ceramic Society
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• v.53 no.4
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• pp.417-428
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• 2016

In this review, an attempt is made to calculate one-dimensional (1-D) electron density profiles from experimentally determined (00l) XRD intensities and possible structural models as well in an effort to understand the collective intracrystalline structures of intercalant molecules of two-dimensional (2-D) nanohybrids with heterostructures. 2-D ceramics, including layered metal oxides and clays, have received much attention due to their potential applicability as catalysts, electrodes, stabilizing agents, and drug delivery systems. 2-D nanohybrids based on such layered ceramics with various heterostructures have been realized through intercalation reactions. In general, the physico-chemical properties of such 2-D nanohybrids are strongly correlated with their heterostructures, but it is not easy to solve the crystal structures due to their low crystallinity and high anisotropic nature. However, the powder X-ray diffraction (XRD) analysis method is thought to be the most powerful means of understanding the interlayer structures of intercalant molecules. If a proper number of well-developed (00l) XRD peaks are available for such 2-D nanohybrids, the 1-D electron density along the crystallographic c-axis can be calculated via a Fourier transform analysis to obtain structural information about the orientations and arrangements of guest species in the interlayer space.

• BMB Reports
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• v.36 no.6
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• pp.552-557
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• 2003

Oligomers with $\alpha$-aminooxy acids are reported to form very stable turn and helix structures, and they are supposed to be useful peptidomimetics for drug design. A recent report suggested that homochiral oxa-peptides form a strong eight-member-ring structure by a hydrogen bond between adjacent aminooxy-acid residues in a $CDCl_3$ solution. In order to design an $\alpha$-MSH analog with a stable turn conformation, we synthesized four tetramers and one pentamer, based on $\alpha$-MSH sequence, and determined the solution structures of the molecules by two-dimensional NMR spectroscopy and simulated annealing calculations. The solution conformations of the three peptidomimetic molecules (TLV, TDV, and TLL) in DMSO-$d_6$ contain a stable 7-membered-ring structure that is similar to a $\gamma$-turn in normal peptides. Newly-designed tetramer TDF and pentamer PDF have a ball-type rigid structure that is induced by strong hydrogen bonds between adjacent amide protons and carbonyl oxygens. In conclusion, the aminooxy acids, easily prepared from natural or unnatural amino acids, can be employed to prepare peptidomimetic analogues with well-defined turn structures for pharmaceutical interest.