• Title/Summary/Keyword: Molecular structures

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Interaction of a Pyridyl-Terminated Carbosiloxane Dendrimer with Metal Ions at the Air-Water Interface

  • Lee, Burm-Jong;Kim, Seong-Hoon;Kim, Chung-kyun;Shin, Hoon-Kyu;Kwon, Young-Soo
    • KIEE International Transactions on Electrophysics and Applications
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    • v.3C no.6
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    • pp.216-219
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    • 2003
  • A new class of carbosiloxane dendrimer (G4-48PyP) terminated with 4-pyridylpropano I was synthesized and its possible application to functional thin films was examined through metal complexation and Langmuir-Blodgett (LB) technique. The highly concentrated periphery pyridyl groups of G4-48PyP were exposed on aq. aluminum ions at the air-water interface. The monolayers showed stability up to ca. 50 mN/m of surface pressure. When the subphase became acidic or alkaline, the monolayers changed to condensed phase. The presence of aluminum ions also caused reduction of the molecular area. The macroscopic images of the monolayers were monitored by Brewster angle microscopy (BAM) and only the images of dendrimer aggregates could be observed after the monolayer collapse. The surface images of the monolayer LB film were scanned by atomic force microscopy (AFM). The convex structures of single and aggregate molecules were directly observed. The structures of Langmuir-Blodgett (LB) films were characterized by FT-IR, UV-Vis, and X-ray photoelectron spectroscopy (XPS). The UV-Vis spectrum of the aluminum ion-complexed LB film showed additional band around 670nm, which was not found in the spectra of dendrimer itself or aq. aluminum ions. XPS spectra also supported the incorporation of aluminum ions into the LB films.

Isoforms, structures, and functions of versatile spectraplakin MACF1

  • Hu, Lifang;Su, Peihong;Li, Runzhi;Yin, Chong;Zhang, Yan;Shang, Peng;Yang, Tuanmin;Qian, Airong
    • BMB Reports
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    • v.49 no.1
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    • pp.37-44
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    • 2016
  • Spectraplakins are crucially important communicators, linking cytoskeletal components to each other and cellular junctions. Microtubule actin crosslinking factor 1 (MACF1), also known as actin crosslinking family 7 (ACF7), is a member of the spectraplakin family. It is expressed in numerous tissues and cells as one extensively studied spectraplakin. MACF1 has several isoforms with unique structures and well-known function to be able to crosslink F-actin and microtubules. MACF1 is one versatile spectraplakin with various functions in cell processes, embryo development, tissue-specific functions, and human diseases. The importance of MACF1 has become more apparent in recent years. Here, we summarize the current knowledge on the presence and function of MACF1 and provide perspectives on future research of MACF1 based on our studies and others. [BMB Reports 2016; 49(1): 37-44]

Structural and Mechanistic Insights into the Tropism of Epstein-Barr Virus

  • Mohl, Britta S.;Chen, Jia;Sathiyamoorthy, Karthik;Jardetzky, Theodore S.;Longnecker, Richard
    • Molecules and Cells
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    • v.39 no.4
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    • pp.286-291
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    • 2016
  • Epstein-Barr virus (EBV) is the prototypical ${\gamma}$-herpesvirus and an obligate human pathogen that infects mainly epithelial cells and B cells, which can result in malignancies. EBV infects these target cells by fusing with the viral and cellular lipid bilayer membranes using multiple viral factors and host receptor(s) thus exhibiting a unique complexity in its entry machinery. To enter epithelial cells, EBV requires minimally the conserved core fusion machinery comprised of the glycoproteins gH/gL acting as the receptor-binding complex and gB as the fusogen. EBV can enter B cells using gp42, which binds tightly to gH/gL and interacts with host HLA class II, activating fusion. Previously, we published the individual crystal structures of EBV entry factors, such as gH/gL and gp42, the EBV/host receptor complex, gp42/HLA-DR1, and the fusion protein EBV gB in a postfusion conformation, which allowed us to identify structural determinants and regions critical for receptor-binding and membrane fusion. Recently, we reported different low resolution models of the EBV B cell entry triggering complex (gHgL/gp42/HLA class II) in "open" and "closed" states based on negative-stain single particle electron microscopy, which provide further mechanistic insights. This review summarizes the current knowledge of these key players in EBV entry and how their structures impact receptor-binding and the triggering of gB-mediated fusion.

Crystal Structures of Spleen Tyrosine Kinase in Complex with Two Novel 4-Aminopyrido[4,3-d] Pyrimidine Derivative Inhibitors

  • Lee, Sang Jae;Choi, Jang-Sik;Bong, Seoung Min;Hwang, Hae-Jun;Lee, Jaesang;Song, Ho-Juhn;Lee, Jaekyoo;Kim, Jung-Ho;Koh, Jong Sung;Lee, Byung Il
    • Molecules and Cells
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    • v.41 no.6
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    • pp.545-552
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    • 2018
  • Spleen tyrosine kinase (SYK) is a cytosolic non-receptor protein tyrosine kinase. Because SYK mediates key receptor signaling pathways involving the B cell receptor and Fc receptors, SYK is an attractive target for autoimmune disease and cancer treatments. To date, representative oral SYK inhibitors, including fostamatinib (R406 or R788), entospletinib (GS-9973), cerdulatinib (PRT062070), and TAK-659, have been assessed in clinical trials. Here, we report the crystal structures of SYK in complex with two newly developed inhibitors possessing 4-aminopyrido[4,3-D]pyrimidine moieties (SKI-G-618 and SKI-O-85). One SYK inhibitor (SKI-G-618) exhibited moderate inhibitory activity against SYK, whereas the other inhibitor (SKI-O-85) exhibited a low inhibitory profile against SYK. Binding mode analysis indicates that a highly potent SYK inhibitor might be developed by modifying and optimizing the functional groups that interact with Leu377, Gly378, and Val385 in the G-loop and the nearby region in SYK. In agreement with our structural analysis, one of our SYK inhibitor (SKI-G-618) shows strong inhibitory activities on the ${\beta}$-hexosaminidase release and phosphorylation of SYK/Vav in RBL-2H3 cells. Taken together, our findings have important implications for the design of high affinity SYK inhibitors.

Real-Time Measurement of the Liquid Amount in Cryo-Electron Microscopy Grids Using Laser Diffraction of Regular 2-D Holes of the Grids

  • Ahn, Jinsook;Lee, Dukwon;Jo, Inseong;Jeong, Hyeongseop;Hyun, Jae-Kyung;Woo, Jae-Sung;Choi, Sang-Ho;Ha, Nam-Chul
    • Molecules and Cells
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    • v.43 no.3
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    • pp.298-303
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    • 2020
  • Cryo-electron microscopy (cryo-EM) is now the first choice to determine the high-resolution structures of huge protein complexes. Grids with two-dimensional arrays of holes covered with a carbon film are typically used in cryo-EM. Although semi-automatic plungers are available, notable trial-and-error is still required to obtain a suitable grid specimen. Herein, we introduce a new method to obtain thin ice specimens using real-time measurement of the liquid amounts in cryo-EM grids. The grids for cryo-EM strongly diffracted laser light, and the diffraction intensity of each spot was measurable in real-time. The measured diffraction patterns represented the states of the liquid in the holes due to the curvature of the liquid around them. Using the diffraction patterns, the optimal time point for freezing the grids for cryo-EM was obtained in real-time. This development will help researchers rapidly determine high-resolution protein structures using the limited resource of cryo-EM instrument access.

Size determination of Ecklonia cava for successful transplantation onto artificial seaweed reef

  • Kim, Young Dae;Shim, Jung Min;Park, Mi Seon;Hong, Jung-Pyo;Yoo, Hyun Il;Min, Byung Hwa;Jin, Hyung-Joo;Yarish, Charles;Kim, Jang K.
    • ALGAE
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    • v.28 no.4
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    • pp.365-369
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    • 2013
  • The objective of this study was to determine the optimal blade size and timing to transplant seed-stock of Ecklonia cava Kjellman onto the reef structure. We used the modified artificial stepped reef structure. A total of 14 units (3.0 m length ${\times}$ 3.5 m width ${\times}$ 1.1 m height) were deployed 7-8 m deep under the water to examine the optimal blade size and timing to transplant seed-stock of E. cava onto the structures. Sporophytes of E. cava <1 cm in length were all died within 1 month of transplantation. The blades of 5-10 cm in length which were transplanted in March 2007 survived and grew well on the artificial reefs. Growth rates of 5-10 cm size class were higher than those of longer blade sporophytes (20-30 cm size class, transplanted in April) while the survival rates showed no difference between the classes of blade size. Both classes of 5-10 and 20-30 cm in length grew until July, and a reduction in size had occurred in September. These results indicate the importance of the blade size of E. cava and timing for successful transplantation of the seaweed on artificial reef structures.

Flexural strength and microstructure of two lithium disilicate glass ceramics for CAD/CAM restoration in the dental clinic

  • Kang, Suk-Ho;Chang, Juhea;Son, Ho-Hyun
    • Restorative Dentistry and Endodontics
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    • v.38 no.3
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    • pp.134-140
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    • 2013
  • Objectives: There has been a growing interest in glass ceramic systems with good esthetics, high fracture resistance and bonding durability, and simplified fabrication techniques using CAD/CAM. The aim of this study is to compare flexural strength before and after heat treatment of two lithium disilicate CAD/CAM blocks, IPS e.max CAD (Ivoclar Vivadent) and Rosetta SM (Hass), and to observe their crystalline structures. Materials and Methods: Biaxial flexural strength was tested according to ISO 6872 with 20 disc form specimens sliced from each block before and after heat treatment. Also, the crystalline structures were observed using field-emission scanning microscopy (FE-SEM, Hitachi) and x-ray diffraction (XRD, Rigaku) analysis. The mean values of the biaxial flexural strength were analyzed by the Mann-Whitney U test at a significance level of p = 0.05. Results: There were no statistically significant differences in flexural strength between IPS e.max CAD and Rosetta SM either before heat treatment or after heat treatment. For both ceramics, the initial flexural strength greatly increased after heat treatment, with significant differences (p < 0.05). The FE-SEM images presented similar patterns of crystalline structure in the two ceramics. In the XRD analysis, they also had similar patterns, presenting high peak positions corresponding to the standard lithium metasilicate and lithium disilicate at each stage of heat treatment. Conclusions: IPS e.max CAD and Rosetta SM showed no significant differences in flexural strength. They had a similar crystalline pattern and molecular composition.

Two Polymorphs of Structures of $\alpha,\alpha$-Trehalose Octaacetate Monohydrate

  • Park, Young-Ja;Shin, Jung-Mi
    • Bulletin of the Korean Chemical Society
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    • v.14 no.2
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    • pp.200-206
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    • 1993
  • Structures of two polymorphs of ${\alpha},{\alpha}$-trehalose octaacetate monohydrate, $C_{28}H_{38}O_{19}\;{\cdot}\;H_2O$, have been studied by X-ray diffraction method. ${\alpha},{\alpha}$-trehalose (${\alpha}$-D-glucopyranosyl ${\alpha}$-D-glucopyranoside) is a nonreducing disaccharide. The polymorph I belongs to the monoclinic $P2_1$, and has unit cell parameters of a=10.725(l), b=15.110(4), c=11.199(5) ${\AA}$, ${\beta}=108.16(2)^{\circ}$ and Z=2. The polymorph II is orthorhombic $P2_12_12_1$, with a=13.684(4), b=15.802(4), c=17.990(9) ${\AA}$ and Z=4. The final R and R$_w$ values for monoclinic polymorph I are 0.043 and 0.048 and for orthorhombic polymorph II are 0.116 and 0.118, respectively. Those R values of polymorph II are high because the large thermal motions of acetyl groups and the poor quality of the crystal. The molecular conformations in the two polymorphs are similar. Both D-glucopyranosyl rings have chair $^4C_1$ conformations and atoms of glycosidic chain ${\alpha}(1{\rightarrow}1)$ linkage are coplanar. The primary acetate groups of the pyranose residues assume both gauche-trans conformations. The molecules of two polymorphs have pseudo-C$_2$ symmetry at glycosidic O(1) atom. The bond lengths and angles are normal compared with those in other acetylated sugar compounds. The molecules in the monoclinic crystal are held by the hydrogen bonds with the water molecules and by van der Waals forces.

Structural Insights into Porphyrin Recognition by the Human ATP-Binding Cassette Transporter ABCB6

  • Kim, Songwon;Lee, Sang Soo;Park, Jun Gyou;Kim, Ji Won;Ju, Seulgi;Choi, Seung Hun;Kim, Subin;Kim, Na Jin;Hong, Semi;Kang, Jin Young;Jin, Mi Sun
    • Molecules and Cells
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    • v.45 no.8
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    • pp.575-587
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    • 2022
  • Human ABCB6 is an ATP-binding cassette transporter that regulates heme biosynthesis by translocating various porphyrins from the cytoplasm into the mitochondria. Here we report the cryo-electron microscopy (cryo-EM) structures of human ABCB6 with its substrates, coproporphyrin III (CPIII) and hemin, at 3.5 and 3.7 Å resolution, respectively. Metal-free porphyrin CPIII binds to ABCB6 within the central cavity, where its propionic acids form hydrogen bonds with the highly conserved Y550. The resulting structure has an overall fold similar to the inward-facing apo structure, but the two nucleotide-binding domains (NBDs) are slightly closer to each other. In contrast, when ABCB6 binds a metal-centered porphyrin hemin in complex with two glutathione molecules (1 hemin: 2 glutathione), the two NBDs end up much closer together, aligning them to bind and hydrolyze ATP more efficiently. In our structures, a glycine-rich and highly flexible "bulge" loop on TM helix 7 undergoes significant conformational changes associated with substrate binding. Our findings suggest that ABCB6 utilizes at least two distinct mechanisms to fine-tune substrate specificity and transport efficiency.

Static bending response of axially randomly oriented functionally graded carbon nanotubes reinforced composite nanobeams

  • Ahmed Amine Daikh;Ahmed Drai;Mohamed Ouejdi Belarbi;Mohammed Sid Ahmed Houari;Benoumer Aour;Mohamed A. Eltaher;Norhan A. Mohamed
    • Advances in nano research
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    • v.16 no.3
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    • pp.289-301
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    • 2024
  • In this work, an analytical model employing a new higher-order shear deformation beam theory is utilized to investigate the bending behavior of axially randomly oriented functionally graded carbon nanotubes reinforced composite nanobeams. A modified continuum nonlocal strain gradient theory is employed to incorporate both microstructural effects and geometric nano-scale length scales. The extended rule of mixture, along with molecular dynamics simulations, is used to assess the equivalent mechanical properties of functionally graded carbon nanotubes reinforced composite (FG-CNTRC) beams. Carbon nanotube reinforcements are randomly distributed axially along the length of the beam. The equilibrium equations, accompanied by nonclassical boundary conditions, are formulated, and Navier's procedure is used to solve the resulting differential equation, yielding the response of the nanobeam under various mechanical loadings, including uniform, linear, and sinusoidal loads. Numerical analysis is conducted to examine the influence of inhomogeneity parameters, geometric parameters, types of loading, as well as nonlocal and length scale parameters on the deflections and stresses of axially functionally graded carbon nanotubes reinforced composite (AFG CNTRC) nanobeams. The results indicate that, in contrast to the nonlocal parameter, the beam stiffness is increased by both the CNTs volume fraction and the length-scale parameter. The presented model is applicable for designing and analyzing microelectromechanical systems (MEMS) and nanoelectromechanical systems (NEMS) constructed from carbon nanotubes reinforced composite nanobeams.