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1.
Ash WW Band HR Blume HT Camporesi T Chadwick GB Coombes RW Delfino MC Fernandez E Ford WT Gettner MW Goderre GP Groom DE Heltsley BK Hurst RB Johnson JR Lau KH Lavine TL Leedy RE Lippi I Maruyama T Messner RL Moromisato JH Moss LJ Muller F Nelson HN Peruzzi I Piccolo M Prepost R Qi N Read AL Ritson DM Rosenberg LJ Shambroom WD Sleeman JC Smith JG Venuti JP von Goeler E Verdini P Wald HB Weinstein R Wiser DE Zdarko RW 《Physical review letters》1985,55(20):2118-2121
2.
Fernandez E Ford WT Qi N Read AL Smith JG Camporesi T De Sangro R Marini A Peruzzi I Piccolo M Ronga F Blume HT Hurst RB Venuti JP Wald HB Weinstein R Band HR Gettner MW Goderre GP Meyer OA Moromisato JH Shambroom WD Sleeman JC von Goeler E Ash WW Chadwick GB Clearwater SH Coombes RW Kaye HS Lau KH Leedy RE Lynch HL Messner RL Moss LJ Muller F Nelson HN Ritson DM Rosenberg LJ Wiser DE Zdarko RW Groom DE Lee H Delfino MC Heltsley BK Johnson JR Lavine TL Maruyama T Prepost R 《Physical review letters》1985,54(15):1620-1623
3.
Dr. Colin R. Groom Dr. Frank H. Allen 《Angewandte Chemie (International ed. in English)》2014,53(3):662-671
The Cambridge Crystallographic Data Centre (CCDC) was established in 1965 to record numerical, chemical and bibliographic data relating to published organic and metal–organic crystal structures. The Cambridge Structural Database (CSD) now stores data for nearly 700 000 structures and is a comprehensive and fully retrospective historical archive of small‐molecule crystallography. Nearly 40 000 new structures are added each year. As X‐ray crystallography celebrates its centenary as a subject, and the CCDC approaches its own 50th year, this article traces the origins of the CCDC as a publicly funded organization and its onward development into a self‐financing charitable institution. Principally, however, we describe the growth of the CSD and its extensive associated software system, and summarize its impact and value as a basis for research in structural chemistry, materials science and the life sciences, including drug discovery and drug development. Finally, the article considers the CCDC’s funding model in relation to open access and open data paradigms. 相似文献
4.
Tartakovskii AI Cahill J Makhonin MN Whittaker DM Wells JP Fox AM Mowbray DJ Skolnick MS Groom KM Steer MJ Hopkinson M 《Physical review letters》2004,93(5):057401
The temperature dependence of spin coherence in InGaAs quantum dots is obtained from quantum beats observed in polarization-resolved pump-probe experiments. Within the same sample we clearly distinguish between coherent spin dynamics leading to quantum beats and incoherent long-lived spin-memory effects. Analysis of the coherent data using a theoretical model reveals approximately 10 times greater stability of the spin coherence at high temperature compared to that found previously for exciton states in four-wave-mixing experiments by Borri et al. [Phys. Rev. Lett. 87, 157401 (2001)]]. The data on incoherent polarization reveal a new form of spin memory based on charged quantum dots. 相似文献
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Liebeschuetz J Hennemann J Olsson T Groom CR 《Journal of computer-aided molecular design》2012,26(2):169-183
The protein databank now contains the structures of over 11,000 ligands bound to proteins. These structures are invaluable
in applied areas such as structure-based drug design, but are also the substrate for understanding the energetics of intermolecular
interactions with proteins. Despite their obvious importance, the careful analysis of ligands bound to protein structures
lags behind the analysis of the protein structures themselves. We present an analysis of the geometry of ligands bound to
proteins and highlight the role of small molecule crystal structures in enabling molecular modellers to critically evaluate
a ligand model’s quality and investigate protein-induced strain. 相似文献
9.
Halasz A Groom C Zhou E Paquet L Beaulieu C Deschamps S Corriveau A Thiboutot S Ampleman G Dubois C Hawari J 《Journal of chromatography. A》2002,963(1-2):411-418
Polynitro organic explosives [hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX), octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and 2,4,6-trinitrotoluene (TNT)] are typical labile environmental pollutants that can biotransform with soil indigenous microorganisms, photodegrade by sunlight and migrate through subsurface soil to cause groundwater contamination. To be able to determine the type and concentration of explosives and their (bio)transformation products in different soil environments, a comprehensive analytical methodology of sample preparation, separation and detection is thus required. The present paper describes the use of supercritical carbon dioxide (SC-CO2), acetonitrile (MeCN) (US Environmental Protection Agency Method 8330) and solid-phase microextraction (SPME) for the extraction of explosives and their degradation products from various water, soil and plant tissue samples for subsequent analysis by either HPLC-UV, capillary electrophoresis (CE-UV) or GC-MS. Contaminated surface and subsurface soil and groundwater were collected from either a TNT manufacturing facility or an anti-tank firing range. Plant tissue samples were taken fromplants grown in anti-tank firing range soil in a greenhouse experiment. All tested soil and groundwater samples from the former TNT manufacturing plant were found to contain TNT and some of its amino reduced and partially denitrated products. Their concentrations as determined by SPME-GC-MS and LC-UV depended on the location of sampling at the site. In the case of plant tissues, SC-CO2 extraction followed by CE-UV analysis showed only the presence of HMX. The concentrations of HMX (<200 mg/kg) as determined by supercritical fluid extraction (SC-CO2)-CE-UV were comparable to those obtained by MeCN extraction, although the latter technique was found to be more efficient at higher concentrations (>300 mg/kg). Modifiers such as MeCN and water enhanced the SC-CO2 extractability of HMX from plant tissues. 相似文献
10.
Ford WT Qi N Read AL Smith JG Camporesi T De Sangro R Peruzzi I Piccolo M Hurst RB Pyrlik J Venuti JP Weinstein R Gettner MW Goderre GP Sleeman JC von Goeler E Chadwick GB Leedy RE Messner RL Moss LJ Muller F Nelson HN Ritson DM Rosenberg LJ Wiser DE Zdarko RW Groom DE Verdini PG Band HR Delfino MC Johnson JR Lavine TL Maruyama T Prepost R 《Physical review D: Particles and fields》1989,40(5):1385-1396