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https://www.readbyqxmd.com/read/27906313/experimental-study-on-the-transition-of-plasmonic-resonance-modes-in-double-ring-dimers-by-conductive-junctions-in-the-terahertz-regime
#1
Huifang Zhang, Chun Li, Caihong Zhang, Xueqian Zhang, Jianqiang Gu, Biaobing Jin, Jiaguang Han, Weili Zhang
Plasmonic dimers that made from two subwavelength particles have drawn much attention in the recent years, which are quite promising in local field enhancement, sensing, high frequency conductance probing and electron tunneling. In this work, we experimentally investigate the mode transition effect of different plasmonic resonances in double-ring dimers when introducing conductive junction at the dimer gap in the terahertz regime. Without the junction, the dimers support a single dipolar bonding dimer plasmonic (BDP) mode...
November 28, 2016: Optics Express
https://www.readbyqxmd.com/read/27905440/organization-and-functions-of-mglu-and-gabab-receptor-complexes
#2
Jean-Philippe Pin, Bernhard Bettler
The neurotransmitters glutamate and γ-aminobutyric acid (GABA) transmit synaptic signals by activating fast-acting ligand-gated ion channels and more slowly acting G-protein-coupled receptors (GPCRs). The GPCRs for these neurotransmitters, metabotropic glutamate (mGlu) and GABAB receptors, are atypical GPCRs with a large extracellular domain and a mandatory dimeric structure. Recent studies have revealed how these receptors are activated through multiple allosteric interactions between subunit domains. It emerges that the molecular complexity of these receptors is further increased through association with trafficking, effector and regulatory proteins...
December 1, 2016: Nature
https://www.readbyqxmd.com/read/27905394/uvr2-ensures-transgenerational-genome-stability-under-simulated-natural-uv-b-in-arabidopsis-thaliana
#3
Eva-Maria Willing, Thomas Piofczyk, Andreas Albert, J Barbro Winkler, Korbinian Schneeberger, Ales Pecinka
Ground levels of solar UV-B radiation induce DNA damage. Sessile phototrophic organisms such as vascular plants are recurrently exposed to sunlight and require UV-B photoreception, flavonols shielding, direct reversal of pyrimidine dimers and nucleotide excision repair for resistance against UV-B radiation. However, the frequency of UV-B-induced mutations is unknown in plants. Here we quantify the amount and types of mutations in the offspring of Arabidopsis thaliana wild-type and UV-B-hypersensitive mutants exposed to simulated natural UV-B over their entire life cycle...
December 1, 2016: Nature Communications
https://www.readbyqxmd.com/read/27905031/modern-approaches-to-studies-of-new-osteogenic-biomaterials-on-the-model-of-regeneration-of-critical-size-cranial-defects-in-rats
#4
M S Bartov, A V Gromov, M S Poponova, D M Savina, K E Nikitin, T M Grunina, V N Manskikh, O A Gra, V G Lunin, A S Karyagina, A L Gintsburg
Osteoinductive characteristics of new osteoplastic materials based on demineralized bone matrix of xenogenic origin with high and controlled degree of purification were studied on the model of regeneration of critical-size cranial defects in rats using modern approaches, including histological analysis, evaluation of morphological parameters of the bone tissue obtained by micro-computed tomography, and estimation of bone tissue growth rate using in vivo fluorochrome label. Demineralized bone matrix and, to a much greater extent, its activated form containing modified recombinant growth factor rhBMP-2 with high content of the dimeric form exhibited osteoinductive activity...
December 1, 2016: Bulletin of Experimental Biology and Medicine
https://www.readbyqxmd.com/read/27904905/idarucizumab-does-not-have-procoagulant-effects-assessment-of-thrombosis-biomarkers-in-healthy-volunteers
#5
Michael Schmohl, Stephan Glund, Akiko Harada, Susumu Imazu, Marina De Smet, Viktoria Moschetti, Steven Ramael, Ippei Ikushima, Fredrik Grünenfelder, Paul Reilly, Joachim Stangier
Idarucizumab, a humanised monoclonal antibody fragment, binds dabigatran with high affinity and immediately, completely and sustainably reverses dabigatran-induced changes on blood coagulation. The present analysis focuses on the evaluation of potential procoagulant properties of idarucizumab when administered in the absence of dabigatran. As part of two Phase I studies conducted in healthy Caucasian and Japanese male volunteers, the effect of idarucizumab (8 g as a 1-hour [h] infusion and 4 g as a 5-minute [min] infusion) and placebo on calibrated automated thrombography (CAT) was assessed using platelet-poor plasma samples...
December 1, 2016: Thrombosis and Haemostasis
https://www.readbyqxmd.com/read/27904899/dependence-of-magnetic-coupling-on-ligands-at-the-axial-positions-of-ni-ii-in-phenoxido-bridged-dimers-experimental-observations-and-dft-studies
#6
Monotosh Mondal, Sanjib Giri, Pampa M Guha, Ashutosh Ghosh
A nickel(ii) complex [Ni2L(R)2(CH3CN)4](ClO4)2·2CH3CN (1) has been synthesized by using a tridentate reduced Schiff base ligand, HL(R), 2-[(3-methylamino-propylamino)-methyl]-4-nitrophenol and Ni(ClO4)2·6H2O. Stoichiometrically controlled addition of NH4SCN to the acetonitrile-water solution of 1 produced two other complexes, [Ni2L(R)2(μ1,1-NCS)(CH3CN)2](ClO4)·CH3CN (2) and [Ni2L(R)2(NCS)2 (CH3CN)2] (3) by replacing one and two coordinated CH3CN by NCS(-), respectively. The dinuclear Ni(II) complexes 1 and 3 are structurally very similar containing a diphenoxido bridge between the Ni(II) ions...
December 1, 2016: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/27904853/effects-of-postoperative-parenteral-nutrition-with-different-lipid-emulsions-in-patients-undergoing-major-abdominal-surgery
#7
Seher Demirer, Ali Sapmaz, Ahmet Serdar Karaca, Ilknur Kepenekci, Semih Aydintug, Deniz Balci, Pinar Sonyurek, Kenan Kose
PURPOSE: This study was designed to investigate the effects of total parenteral nutrition (PN) using different lipid emulsions in patients undergoing major abdominal surgery. METHODS: Fifty-two patients were randomized to receive soybean oil + medium chain triglycerides (MCT) (group I), soybean oil + olive oil (group II), soybean oil + olive oil + fish oil (group III) as a lipid source. PN was started on postoperative day 1 and patients were maintained on PN for a minimum period of 4 days...
December 2016: Annals of Surgical Treatment and Research
https://www.readbyqxmd.com/read/27904094/design-and-synthesis-of-functional-molecules-based-on-complexation-and-their-biological-applications
#8
Yosuke Hisamatsu
 In this review, we introduce the development of supermolecules, host-guest complexes, and metal complexes formed from the combination of non-covalent interactions and/or coordination bonds, as well as their biological applications. An adenine selective host molecule 1 provides a correctly oriented array of complementary hydrogen bonding sites for the adenine nucleobase. Furthermore, the new DDAA (D: hydrogen bond donor, A: hydrogen bond acceptor) module 4 and ADDA module 7 have been developed as quadruple hydrogen-bonding modules...
2016: Yakugaku Zasshi: Journal of the Pharmaceutical Society of Japan
https://www.readbyqxmd.com/read/27903803/the-human-cytomegalovirus-ie1-protein-antagonizes-pml-nuclear-body-mediated-intrinsic-immunity-via-the-inhibition-of-pml-de-novo-sumoylation
#9
Eva-Maria Schilling, Myriam Scherer, Nina Reuter, Johannes Schweininger, Yves A Muller, Thomas Stamminger
: PML nuclear bodies (NBs) are accumulations of cellular proteins embedded in a scaffold-like structure built by SUMO-modified PML/TRIM19. PML and other NB proteins act as cellular restriction factors against human cytomegalovirus (HCMV), however, this intrinsic defense is counteracted by the immediate-early protein 1 (IE1) of HCMV. IE1 directly interacts with the PML coiled-coil domain via its globular core region and disrupts NB foci by inducing a loss of PML SUMOylation. Here, we demonstrate that IE1 acts via abrogating the de novo SUMOylation of PML...
November 30, 2016: Journal of Virology
https://www.readbyqxmd.com/read/27903463/her2-transmembrane-mutations-v659-g660-that-stabilize-homo-and-hetero-dimerization-are-rare-oncogenic-drivers-in-lung-adenocarcinoma-that-respond-to-afatinib
#10
Sai-Hong Ignatius Ou, Alexa B Schrock, Eduard V Bocharov, Samuel J Klempner, Carolina Kawamura Haddad, Gary Steinecker, Melissa Johnson, Barbara J Gitlitz, Jon Chung, Paulo V Campregher, Jeffrey S Ross, Philip J Stephens, Vincent A Miller, James H Suh, Siraj M Ali, Vamsidhar Velcheti
INTRODUCTION: HER2 transmembrane domain (TMD) mutations (HER2(V659E), HER2(G660D)) have previously been identified in lung adenocarcinomas, but their frequency and clinical significance is unknown. METHODS: We prospectively analyzed 8,551 consecutive lung adenocarcinomas using hybrid-capture based comprehensive genomic profiling (CGP) at the request of the individual treating physicians for the purpose of making therapy decisions. RESULTS: We identified 15 cases (0...
November 26, 2016: Journal of Thoracic Oncology
https://www.readbyqxmd.com/read/27901172/conformational-states-of-hamp-domains-interacting-with-sensory-rhodopsin-membrane-systems-an-integrated-all-atom-and-coarse-grained-molecular-dynamics-simulation-approach
#11
Bikash Ranjan Sahoo, Toshimichi Fujiwara
Understanding the downstream signaling mechanism of sensory rhodopsin and its cognate transducer complex (srII-htrII) has long been a challenge in the field of photoreceptor research. Here, an integration of all-atom and coarse-grained (CG) molecular dynamics (MD) simulations in different srII-htrII complex states is carried out. It is shown that the cytoplasmic four-helix HAMP dimer gives rise to a gear-box model interaction with discrete hydrophobic packing in Natronomonas pharaonis (Np). Structural analysis in all-atom and CG-MD reveals a stable conformational state in the physiological environment (323 K and 1...
November 30, 2016: Molecular BioSystems
https://www.readbyqxmd.com/read/27901142/an-optimized-charge-penetration-model-for-use-with-the-amoeba-force-field
#12
Joshua A Rackers, Qiantao Wang, Chengwen Liu, Jean-Philip Piquemal, Pengyu Ren, Jay W Ponder
The principal challenge of using classical physics to model biomolecular interactions is capturing the nature of short-range interactions that drive biological processes from nucleic acid base stacking to protein-ligand binding. In particular most classical force fields suffer from an error in their electrostatic models that arises from an ability to account for the overlap between charge distributions occurring when molecules get close to each other, known as charge penetration. In this work we present a simple, physically motivated model for including charge penetration in the AMOEBA (Atomic Multipole Optimized Energetics for Biomolecular Applications) force field...
November 30, 2016: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/27901138/understanding-the-self-assembly-of-amino-ester-based-benzene-1-3-5-tricarboxamides-using-molecular-dynamics-simulations
#13
Karteek K Bejagam, Richard C Remsing, Michael L Klein, Sundaram Balasubramanian
Amino ester-based benzene-1,3,5-tricarboxamides (BTAs) are widely studied experimentally for their facile self-assembly, which leads to strong three-fold hydrogen bonded supramolecular polymers. Understanding the supramolecular assembly of these BTAs is complicated by the presence of two types of dimers, based on the nature of the intermolecular hydrogen bonding pattern: amide-amide (AA) and amide-carboxylate (AC). AA dimers form three hydrogen bonds between the two molecules, are typical of BTA stacks, and act as a basic building block of assembly...
November 30, 2016: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/27900859/metal-ion-hydrocarbon-bidentate-bonding-in-alkyl-acetates-methyl-alkanoates-alcohols-and-1-alkenes-a-comparative-study
#14
Peter C Burgers, John L Holmes, Johan K Terlouwc
The relative affinity of the monovalent metal ions Li(+), Na(+), Cu(+) and Ag(+) towards a series of aliphatic alkyl acetates and some selected 1-alkenes (P) was examined using the kinetic method. A detailed analysis of the dissociation characteristics of a series of mixed metal-bound dimer ions of the type P1-M(+)-P2 and the evaluated proton affinities (PAs) of the monomers shows that the affinity of the cation towards long-chain alkyl acetates and alkenes (having a chain length ≤ C4) is markedly enhanced...
2016: European Journal of Mass Spectrometry
https://www.readbyqxmd.com/read/27900815/selective-3-1-fragmentations-of-p4-by-p-transfer-from-a-lewis-acid-stabilized-rp4-butterfly-anion
#15
Jaap E Borger, Andreas W Ehlers, Martin Lutz, J Chris Slootweg, Koop Lammertsma
Two [3+1] fragmentations of the Lewis acid stabilized bicyclo[1.1.0]tetraphosphabutanide Li[Mes*P4 ⋅ BPh3 ] (Mes*=2,4,6-tBu3 C6 H2 ) are reported. The reactions proceed by extrusion of a P1 fragment, induced by either an imidazolium salt or phenylisocyanate, with release of the transient triphosphirene Mes*P3 , which was isolated as a dimer and trapped by 1,3-cyclohexadiene as a Diels-Alder adduct. DFT quantum chemical computations were used to delineate the reaction mechanisms. These unprecedented pathways grant access to both P1 - and P3 -containing organophosphorus compounds in two simple steps from white phosphorus...
November 30, 2016: Angewandte Chemie
https://www.readbyqxmd.com/read/27900812/spontaneous-assembly-of-an-organic-inorganic-nucleic-acid-z-dna-double-helix-structure
#16
Vladislav Kulikov, Naomi A B Johnson, Andrew J Surman, Marie Hutin, Sharon M Kelly, Mohammed Hezwani, De-Liang Long, Gerd Meyer, Leroy Cronin
Herein, we report a hybrid polyoxometalate organic-inorganic compound, Na2 [(HGMP)2 Mo5 O15 ]⋅7 H2 O (1; where GMP=guanosine monophosphate), which spontaneously assembles into a structure with dimensions that are strikingly similar to those of the naturally occurring left-handed Z-form of DNA. The helical parameters in the crystal structure of the new compound, such as rise per turn and helical twist per dimer, are nearly identical to this DNA conformation, allowing a close comparison of the two structures...
November 30, 2016: Angewandte Chemie
https://www.readbyqxmd.com/read/27900790/revealing-germylene-compounds-to-attain-superbasicity-with-sigma-donor-substituents-a-density-functional-theory-study
#17
Bishwajit Ganguly, Abul Kalam Biswas
This study reports for the first time that compounds of Ge (II) can function as superbases. Two B(N=PiPr3)2 groups attached to a germanium (II) center show a gas phase proton affinity of 296.2 kcal/mol, close to the range of a hyperbase as revealed by B3LYP-D3/6-31G(2d,p) level of theory. These DFT calculations showed better agreement of geometrical parameters for the reported stable germylene compound 1 than previously reported calculations at the B3LYP/6-31G(2d,p) and PBE/DZP level of theory. A systematic study performed with different substitutions of Ge(II) revealed that such system can achieve basicity close to a hyperbase...
November 30, 2016: Chemistry: a European Journal
https://www.readbyqxmd.com/read/27900636/cardamonin-represses-proliferation-invasion-and-causes-apoptosis-through-the-modulation-of-signal-transducer-and-activator-of-transcription-3-pathway-in-prostate-cancer
#18
Jingwen Zhang, Sakshi Sikka, Kodappully S Siveen, Jong Hyun Lee, Jae-Young Um, Alan Prem Kumar, Arunachalam Chinnathambi, Sulaiman Ali Alharbi, Basappa, Kanchugarakoppal S Rangappa, Gautam Sethi, Kwang Seok Ahn
The pleiotropic transcription factor, signal transducer and activator of transcription 3 (STAT3) is often aberrantly activated in a wide variety of cancers and plays a pivotal role in tumor initiation, promotion and progression. Targeting deregulated STAT3 activation by small molecule inhibitors is generally considered as an important therapeutic strategy. Hence, in the present study, we evaluated the potential of cardamonin (CD), a 2',4'-dihydroxy-6'-methoxychalcone, to modulate STAT3 activation in prostate cancer (PC) cells and found that this chalcone can indeed exhibit significant anticancer effects through negatively regulating STAT3 activation by diverse molecular mechanism(s)...
November 29, 2016: Apoptosis: An International Journal on Programmed Cell Death
https://www.readbyqxmd.com/read/27900378/mesogenic-gold-complexes-showing-aggregation-induced-enhancement-of-phosphorescence-in-both-crystalline-and-liquid-crystalline-phases
#19
Shigeyuki Yamada, Yuki Rokusha, Ryo Kawano, Kaori Fujisawa, Osamu Tsutsumi
Mesogenic Au complexes with a biphenyl core were synthesized as new AIEgens, and their thermodynamic and photophysical properties were discussed. Similar to Au complexes with a phenyl core which have been reported previously, the complexes with a short alkoxy chain formed dimers in the crystal form. However, the complexes with a long alkoxy chain formed two-dimensional layer structures through multiple intermolecular interactions in both the crystalline and liquid-crystalline (LC) phases. The present Au complexes showed a high thermochemical stability against thermal decomposition and a high thermodynamic stability of the LC phase...
November 30, 2016: Faraday Discussions
https://www.readbyqxmd.com/read/27900375/aie-phenomena-of-a-cyanostilbene-derivative-as-a-probe-of-molecular-assembly-processes
#20
Fuyuki Ito, Jun-Ichi Fujimori, Narumi Oka, Michel Sliwa, Cyril Ruckebusch, Syoji Ito, Hiroshi Miyasaka
The initial processes of the crystallization of a solute molecule, 1-cyano-trans-1,2-bis-(4'-methylbiphenyl)-ethylene (CN-MBE) in binary solution (water and acetone), were investigated by means of fluorescence spectroscopy as well as scanning electron microscopy (SEM). With an increase in the volume fraction (Vw) of the poor solvent (water) in the solution, a drastic change in the fluorescence spectra and intensity of CN-MBE was observed. This change was attributed to aggregation induced emission (AIE). By analyzing the evolution of AIE by multivariate curve resolution-alternating least squares (MCR-ALS), it was revealed that four main species appeared in the solution depending on the Vw values...
November 30, 2016: Faraday Discussions
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