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Takahiro Ueno, Takeshi Fujinami, Naohide Matsumoto, Masaki Furusawa, Ryo Irie, Nazzareno Re, Takuya Kanetomo, Takayuki Ishida, Yukinari Sunatsuki
The 1:1 assembly reaction of the racemic form of the cross-linking ligand complex Na[Cu(II)L(dpen(1R2R/1S2S))] with Ln(III)(NO3)3·6H2O gave the centrosymmetric circular (Cu(II)Ln(III))2 complex [Cu(II)L(dpen(1R2R/1S2S))Ln(III)(NO3)2]2 (1Ln: Ln = Gd, Tb, Dy), while the reaction of the enantiopure form Na[Cu(II)L(dpen(1R2R))] with Ln(III)(NO3)3·6H2O gave the chiral chainlike (Cu(II)Ln(III))1∞ complex [Cu(II)L(dpen(1R2R))Ln(III)(NO3)2(CH3CN)]1∞·CH3CN (2Ln: Ln = Gd, Tb, Dy), where {Cu(II)L(dpen(1R2R))}(-) is (N-((1R,2R)-2-(((E)-3-ethoxy-2-oxybenzylidene)amino)-1,2-diphenylethyl)-2-oxybenzamide)copper(II) and {Cu(II)L(dpen(1R2R/1S2S))}(-) is the racemic mixture of {Cu(II)L(dpen(1R2R))}(-) and {Cu(II)L(dpen(1S2S))}(-)...
January 18, 2017: Inorganic Chemistry
Shelly DeForte, Vladimir N Uversky
Intrinsically disordered protein regions (IDPRs) are remarkably common and have unique and important biological functions. Enzymes have long been considered an exception to the rule of protein intrinsic disorder due to the structural requirements for catalysis. Although functionally significant IDPRs have been described in several enzymes, there has been no study quantifying the extent of this phenomenon. We have conducted a multilevel computational analysis of missing regions in X-ray crystal structures in the PDB and predicted disorder in 66 representative proteomes...
January 18, 2017: Molecular BioSystems
Silvano Ferrari, Emanuela Bianchi, Gerhard Kahl
Materials with well-defined architectures are heavily sought after in view of their diverse technological applications. Among the desired target architectures, lamellar phases stand out for their exceptional mechanical and optical features. Here we show that charged colloids, decorated on their poles with two oppositely charged regions possess the unusual ability to spontaneously assemble in different morphologies of (semi-)ordered, layered particle arrangements which maintain their structural stability over a surprisingly large temperature range...
January 18, 2017: Nanoscale
Ji-Hong Jiang, Lin-Chuan Zhang, Ya-Xi Huang, Zhi-Mei Sun, Yuanming Pan, Jin-Xiao Mi
Two challenges to grow KBe2BO3F2 (KBBF), the best known deep-ultraviolet nonlinear optical (NLO) material to date, are the limited crystal sizes and the use of a highly toxic element (Be). Herein we report on the discovery of a novel anhydrous non-centrosymmetric alkali fluorinated borophosphate KB(PO4)F (KBPF) featuring a cut-off wavelength of less than 200 nm and a large second-harmonic generation (SHG) effect similar to KH2PO4 (KDP), hence representing a new promising deep-ultraviolet NLO material. The KBPF crystals consisting of common elements can be grown using green and cost effective processes and do not show any detectable hygroscopicity...
January 18, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
Jianxing Chen, Atsushi Yamagata, Keiko Kubota, Yusuke Sato, Sakurako Goto-Ito, Shuya Fukai
The exocyst complex is a heterooctameric protein complex composed of Sec3, Sec5, Sec6, Sec8, Sec10, Sec15, Exo70 and Exo84. This complex plays an essential role in trafficking secretory vesicles to the plasma membrane through its interaction with phosphatidylinositol 4,5-bisphosphate and small GTPases. To date, the near-full-length structural information of each subunit has been limited to Exo70, although the C-terminal half structures of Sec6, Sec15 and Exo84 and the structures of the small GTPase-binding domains of Sec3, Sec5 and Exo84 have been reported...
January 18, 2017: Scientific Reports
Tengfei Ma, Yingjie Peng, Wei Huang, Jianping Ding
Human NAD-dependent isocitrate dehydrogenase catalyzes the decarboxylation of isocitrate (ICT) into α-ketoglutarate in the Krebs cycle. It exists as the α2βγ heterotetramer composed of the αβ and αγ heterodimers. Previously, we have demonstrated biochemically that the α2βγ heterotetramer and αγ heterodimer can be allosterically activated by citrate (CIT) and ADP. In this work, we report the crystal structures of the αγ heterodimer with the γ subunit bound without or with different activators...
January 18, 2017: Scientific Reports
Francesco De Leonardis, Richard A Soref, Vittorio M N Passaro
In this paper we present a physical discussion of the indirect two-photon absorption (TPA) occuring in silicon carbide with either cubic or wurtzite structure. Phonon-electron interaction is analyzed by finding the phonon features involved in the process as depending upon the crystal symmetry. Consistent physical assumptions about the phonon-electron scattering mechanisms are proposed in order to give a mathematical formulation to predict the wavelength dispersion of TPA and the Kerr nonlinear refractive index n2...
January 18, 2017: Scientific Reports
Dongmei Liu, Dunzhao Wei, Yong Zhang, Zhenhua Chen, Rui Ni, Bo Yang, Xiaopeng Hu, Y Q Qin, S N Zhu, Min Xiao
Diffraction-free beams have attracted increasing research interests because of their unique performances and broad applications in various fields. Although many methods have been developed to produce such beams, it is still challenging to realize a tunable non-diffracting beam. Here, we report the generation of a tunable diffraction-free array through second-harmonic generation in a nonlinear photonic crystal, i.e., a 2D periodically-poled LiTaO3 crystal. In such a crystal, the second-harmonic wave is engineered by properly designing the domain structure based on the Huygens-Fresnel principle...
January 18, 2017: Scientific Reports
Raman Sankar, G Peramaiyan, I Panneer Muthuselvam, Christopher J Butler, Klauss Dimitri, Madhab Neupane, G Narsinga Rao, M-T Lin, F C Chou
High quality single crystal ZrSiS as a theoretically predicted Dirac semimetal has been grown successfully using a vapor phase transport method. The single crystals of tetragonal structure are easy to cleave into perfect square-shaped pieces due to the van der Waals bonding between the sulfur atoms of the quintuple layers. Physical property measurement results including resistivity, Hall coefficient (RH), and specific heat are reported. The transport and thermodynamic properties suggest a Fermi liquid behavior with two Fermi pockets at low temperatures...
January 18, 2017: Scientific Reports
Raman Sankar, G Narsinga Rao, I Panneer Muthuselvam, Tay-Rong Chang, H T Jeng, G Senthil Murugan, Wei-Li Lee, F C Chou
The anisotropic superconducting properties of PbTaSe2 single crystal is reported. Superconductivity with T c  =  3.83  ±  0.02 K has been characterized fully with electrical resistivity ρ(T), magnetic susceptibility χ(T), and specific heat C p (T) measurements using single crystal samples. The superconductivity is type-II with lower critical field H c1 and upper critical field H c2 of 65 and 450 Oe (H⊥  to the ab-plane), 140 and 1500 Oe (H|| to the ab-plane), respectively. These results indicate that the superconductivity of PbTaSe2 is anisotropic...
January 18, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
Feng Xu, He Li, Yan-Ling Luo, Wei Tang
Novel well-defined redox-responsive ferrocene-containing amphiphilic block copolymers (PACMO-b-PAEFC) were synthesized by ATRP, with poly(N-acryloylmorpholine) (PACMO) as hydrophilic blocks and poly(2-acryloyloxyethyl ferrocenecarboxylate) (PAEFC) as hydrophobic blocks. The copolymers were characterized by FTIR, 1H NMR, and gel permeation chromatography, and the crystalline behavior was determined by X-ray diffraction and small-angle X-ray scattering. The results showed that the size of the lamellar crystals and crystallinity vary with the systematic compositions while the periodic structure of the lamellar stacks has no obvious change...
January 18, 2017: ACS Applied Materials & Interfaces
Yinhui Li, Pucha Zhou, Feng An, Yaodong Liu, Chunxiang Lu
The self-stiffening under external dynamic strain has been observed for some artificial materials, especially for nanocomposites. However, few systematic studies have been carried out on their structural evolutions and the effect of the types of nano-fillers was unclear. In this study, we used a semi-crystalline polymer, polyacrylonitrile (PAN), and various types of carbon nanomaterials including C60, carbon nanotube (CNT) and graphene oxide (GO). An external uniaxial dynamic strain at small amplitude of 0...
January 18, 2017: ACS Applied Materials & Interfaces
Junnian Chen, Lin Gan, Fuwei Zhuge, Huiqiao Li, Jizhong Song, Haibo Zeng, Tianyou Zhai
Recent reports demonstrate that a two-dimensional (2D) structural characteristic can endow perovskites with both remarkable photoelectric conversion efficiency and high stability, but the synthesis of ultrathin 2D perovskites with large sizes by facile solution methods is still a challenge. Reported herein is the controlled growth of 2D (C4 H9 NH3 )2 PbBr4 perovskites by a chlorobenzene-dimethylformide-acetonitrile ternary solvent method. The critical factors, including solvent volume ratio, crystallization temperature, and solvent polarity on the growth dynamics were systematically studied...
January 18, 2017: Angewandte Chemie
Juli-Anna Dolyniuk, Julia V Zaikina, Derrick C Kaseman, Sabyasachi Sen, Kirill Kovnir
A new clathrate type has been discovered in the Ba/Cu/Zn/P system. The crystal structure of the Ba8 M24 P28+δ (M=Cu/Zn) clathrate is composed of the pentagonal dodecahedra common to clathrates along with a unique 22-vertex polyhedron with two hexagonal faces capped by additional partially occupied phosphorus sites. This is the first example of a clathrate compound where the framework atoms are not in tetrahedral or trigonal-pyramidal coordination. In Ba8 M24 P28+δ a majority of the framework atoms are five- and six-coordinated, a feature more common to electron-rich intermetallics...
January 18, 2017: Angewandte Chemie
Sotaro Fujii, Hiroya Oki, Kazuki Kawahara, Daisuke Yamane, Masaru Yamanaka, Takahiro Maruno, Yuji Kobayashi, Misa Masanari, Satoshi Wakai, Hirofumi Nishihara, Tadayasu Ohkubo, Yoshihiro Sambongi
Thermophilic Hydrogenophilus thermoluteolus cytochrome c' (PHCP) exhibits higher thermal stability than a mesophilic counterpart, Allochromatium vinosum cytochrome c' (AVCP), which has a homo-dimeric structure and ligand-binding ability. To understand the thermal stability mechanism and ligand-binding ability of the thermally stable PHCP protein, the crystal structure of PHCP was first determined. It formed a homo-dimeric structure, the main chain root mean square deviation (rmsd) value between PHCP and AVCP being 0...
January 18, 2017: Protein Science: a Publication of the Protein Society
Naveed A Nadvi, Noeris K Salam, Joohong Park, Fady N Akladios, Vimal Kapoor, Charles A Collyer, Mark D Gorrell, And W Bret Church
In this study we report two high-resolution structures of the pyridoxal 5' phosphate (PLP)-dependent enzyme kynurenine aminotransferase-I (KAT-I). One is the native structure with the cofactor in the PLP form bound to Lys247 with the highest resolution yet available for KAT-I at 1.28 Å resolution, and the other with the general PLP-dependent aminotransferase inhibitor, aminooxyacetate (AOAA) covalently bound to the cofactor at 1.54 Å. Only small conformational differences are observed in the vicinity of the aldimine (oxime) linkage with which the PLP forms the Schiff base with Lys247 in the 1...
January 18, 2017: Protein Science: a Publication of the Protein Society
Resul Ozdemir, Donghee Choi, Mehmet Ozdemir, Hyekyoung Kim, Sinem Tuncel Kostakoğlu, Mustafa Erkartal, Hyungsug Kim, Choongik Kim, Hakan Usta
A new solution-processable and air-stable liquid-crystalline n-channel organic semiconductor (α,ω-2OD-TIFDMT) employing a donor-acceptor-donor (D-A-D) type of π-conjugation has been designed, synthesized, and fully characterized. The new semiconductor exhibits a low LUMO energy (-4.19 eV) and a narrow optical band gap (1.35 eV). Typical pseudo focal-conic fan-shaped texture of a hexagonal columnar liquid crystalline (LC) phase was observed over a wide temperature range. The spin-coated semiconductor thin-films shows the formation of large (~0...
January 17, 2017: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
Wenqian Xu, Qiang Zhu, Chunhua Tony Hu
Glycine, the simplest amino acid, is also the most polymorphous. Herein, we report the structure determination of a long unknown phase of glycine, which was first reported by Pyne and Suryanarayanan in 2001. To date, this phase has only been prepared at 208 K as nanocrystals within ice. Through computational crystal-structure prediction and powder X-ray diffraction methods, we identified this elusive phase as glycine dihydrate (GDH), representing the first report on the structure of a hydrated glycine structure...
January 18, 2017: Angewandte Chemie
Crystal M David, Katherine S O'Neal, Michael J Miller, Jeremy L Johnson, Ann E Lloyd
OBJECTIVE: Antibiotic misuse contributes to antibiotic-resistant bacterial infections. Patient and prescriber knowledge and behaviors influence antibiotic use. Past research has focused on describing and influencing prescriber behavior with less attention to the patient role in antibiotic use. This study seeks to: (1) develop and deploy a program to enhance patient knowledge about antibiotic use; (2) evaluate whether providing patient education is associated with improvements in antibiotic knowledge in a community-based sample; and (3) explore whether health literacy may be associated with knowledge of appropriate antibiotic use...
January 18, 2017: International Journal of Pharmacy Practice
Philipp Alexander Held, Harald Fuchs, Armido Studer
In this Review article pioneering work and recent achievements in the emerging research area of on-surface chemistry is discussed. On-surface chemistry, sometimes also called two-dimensional chemistry, shows great potential for bottom-up preparation of defined nanostructures. In contrast to traditional organic synthesis, where reactions are generally conducted in well-defined reaction flasks in solution, on-surface chemistry is performed in the cavity of a scanning probe microscope on a metal crystal under ultrahigh vacuum conditions...
January 18, 2017: Chemistry: a European Journal
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