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51.
Silly F Shaw AQ Castell MR Briggs GA 《Chemical communications (Cambridge, England)》2008,(16):1907-1909
The mixing of perylene-3,4,9,10-tetracarboxylic diimide (PTCDI) and 1,3,5-triazine-2,4,6-triamine (melamine) at room temperature in a ratio of 3 : 4 on Au(111) leads to the formation of a new chiral "pinwheel" structure. 相似文献
52.
The exchange narrowing of the J band of certain dye monomers upon aggregation in solution has been known since the 1930s. Here, we analyze the theoretical explanations put forward to account for these narrow absorption bands. Although the theories range from models of identical monomers interacting with vibrations to the opposite of rigid monomers with statistically distributed electronic site energies, all approaches exhibit exchange narrowing. However, we show that the origins of the narrowing are different. A unified theory incorporating the two approaches is presented in which features of both narrowing mechanisms are evident. 相似文献
53.
Chamberlain TW Camenisch A Champness NR Briggs GA Benjamin SC Ardavan A Khlobystov AN 《Journal of the American Chemical Society》2007,129(27):8609-8614
A range of fullerenes (C60) functionalized with long alkyl chains have been synthesized and inserted into single-walled carbon nanotubes. The impact of the alkyl chain length and of the type of linker between the addend and the fullerene cage on the geometry of molecular arrays in nanotube has been studied by high-resolution transmission electron microscopy. In the presence of functional groups the mean interfullerene separations are significantly increased by 2-8 nm depending on the length of the alkyl chain, but the periodicity of the fullerene arrays is disrupted due to the conformational flexibility of the alkyl groups. 相似文献
54.
J.S. Briggs J.M. Rost 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2000,10(3):311-318
It is shown that the time-dependent equations (Schr?dinger and Dirac) for a quantum system can be derived from the time-independent
equation for the larger object of the system interacting with its environment, in the limit that the dynamical variables of
the environment can be treated semiclassically. The time which describes the quantum evolution is then provided parametrically
by the classical evolution of the environment variables. The method used is a generalization of that known for a long time
in the field of ion-atom collisions, where it appears as a transition from the full quantum mechanical perturbed stationary states to the impact parameter method in which the projectile ion beam is treated classically.
Received 25 October 1999 相似文献
55.
Tommaso R.I. Cataldi Ian G. Blackham G.Andrew D. Briggs John B. Pethica H.Alien O. Hill 《Journal of Electroanalytical Chemistry》1990,290(1-2)
The successful expansion which the scanning tunneling microscopy (STM) has had is dependent on its ability to examine surfaces on a sub-nanometric scale and on providing in situ (i.e. in the presence of bulk electrolyte) sample examination. In addition to the ability to study metals and semiconductors in vacuo, the application of the technique to surfaces in contact with an electrolytic solution has prompted increased interest amongst electrochemists. We discuss herein the technique, with particular reference to advances in electrochemical applications. A new scanning tunneling microscope for operation in electrolytic environments is described. Atomic force microscopy, scanning electrochemical microscopy and scanning ion-conducting microscopy are compared with the STM. 相似文献
56.
Briggs BN McMillin DR Todorova TK Gagliardi L Poineau F Czerwinski KR Sattelberger AP 《Dalton transactions (Cambridge, England : 2003)》2010,39(47):11322-11324
The emission spectra of the solids [n-Bu(4)N](2)Tc(2)X(8) (X = Cl, Br) have been investigated at room temperature and 77 K. In each case, the emission originates in the (1)δ-δ* excited state, as with the rhenium homologues, but has a shorter lifetime. 相似文献
57.
A single isomer of a monofunctionalised C70 fullerene is isolated and characterised using variable temperature NMR spectroscopy. Pendant methylene bromide groups allow for further cycloaddition reactions and a C60-C70 asymmetric fullerene dimer is thus prepared. 相似文献
58.
We report a new structure-based strategy for the identification of novel inhibitors. This approach has been applied to Bacillus stearothermophilus alanine racemase (AlaR), an enzyme implicated in the biosynthesis of the bacterial cell wall. The enzyme catalyzes the racemization of l- and d-alanine using pyridoxal 5-phosphate (PLP) as a cofactor. The restriction of AlaR to bacteria and some fungi and the absolute requirement for d-alanine in peptidoglycan biosynthesis make alanine racemase a suitable target for drug design. Unfortunately, known inhibitors of alanine racemase are not specific and inhibit the activity of other PLP-dependent enzymes, leading to neurological and other side effects.This article describes the development of a receptor-based pharmacophore model for AlaR, taking into account receptor flexibility (i.e. a `dynamic' pharmacophore model). In order to accomplish this, molecular dynamics (MD) simulations were performed on the full AlaR dimer from Bacillus stearothermophilus (PDB entry, 1sft) with a d-alanine molecule in one active site and the non-covalent inhibitor, propionate, in the second active site of this homodimer. The basic strategy followed in this study was to utilize conformations of the protein obtained during MD simulations to generate a dynamic pharmacophore model using the property mapping capability of the LigBuilder program. Compounds from the Available Chemicals Directory that fit the pharmacophore model were identified and have been submitted for experimental testing.The approach described here can be used as a valuable tool for the design of novel inhibitors of other biomolecular targets. 相似文献
59.
Tiwari A Dantelle G Porfyrakis K Taylor RA Watt AA Ardavan A Briggs GA 《The Journal of chemical physics》2007,127(19):194504
Low temperature photoluminescence (PL) and photoluminescence excitation (PLE) spectroscopy of high purity ErSc(2)N@C(80) and Er(2)ScN@C(80) fullerenes reveal at least two metastable configurations of the Er(3+) ion within the cage, consistent with previous observations from x-ray diffraction. Using PLE measurements at a number of different emission wavelengths we have characterized the ground state, (4)I(152), and the first excited state, (4)I(132), of the various Er(3+) configurations and their crystal-field splitting. We present detailed energy level diagrams for the ground and excited states of the two dominant configurations of ErSc(2)N@C(80) and Er(2)ScN@C(80). 相似文献