The structure and fluxional character of derivatives of [B9H14]– containing anionic or neutral ligands has been investigated by high-field 11B and 1H n.m.r. spectroscopy. The anionic derivatives [B9H13(NCS)]– and [B9H13(NC)BH3]– showed significant dynamic and structural differences from those of the parent ion [B9H14]– or the neutral compounds B9H13(SMe2), B9H13(SEt2), and B9H13(CH3CN). The synthesis of the anionic derivatives led to interesting side-reactions in which [B8H12(NCS)]– was produced and the dual chemical character of [BH3(CN)]– was illustrated as both a two-electron σ-donor ligand and hydride-transfer reagent.
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
The Structure-Function Linkage Database (SFLD, http://sfld.rbvi.ucsf.edu/) is a manually curated classification resource describing structure-function relationships for functionally diverse enzyme superfamilies.Members of such superfamilies are diverse in their overall reactions yet share a common ancestor and some conserved active site features associated with conserved functional attributes such as a partial reaction.Thus, despite their different functions, members of these superfamilies 'look alike', making them easy to misannotate.To address this complexity and enable rational transfer of functional features to unknowns only for those members for which we have sufficient functional information, we subdivide superfamily members into subgroups using sequence information, and lastly into families, sets of enzymes known to catalyze the same reaction using the same mechanistic strategy.Browsing and searching options in the SFLD provide access to all of these levels.The SFLD offers manually curated as well as automatically classified superfamily sets, both accompanied by search and download options for all hierarchical levels.Additional information includes multiple sequence alignments, tab-separated files of functional and other attributes, and sequence similarity networks.The latter provide a new and intuitively powerful way to visualize functional trends mapped to the context of sequence similarity.
Summary A review of the stratigraphy, sedimentology, petrography, and structure of the Ordovician and Silurian rocks of the Southern Uplands (Scotland) and the Longford-Down zone (Ireland) identifies many features which are typical of accretionary wedges developed at Mesozoic-Recent subduction zones. The bedding becomes gradually more inverted in the west and northwest parts of the Longford-Down zone. Slumping becomes increasingly important along strike southwestwards from Scotland to Ireland. The roles of transform movement along the continental margin and of back arc spreading are also considered.
The study of mechanistically diverse enzyme superfamiliescollections of enzymes that perform different overall reactions but share both a common fold and a distinct mechanistic step performed by key conserved residueshelps elucidate the structure−function relationships of enzymes. We have developed a resource, the structure−function linkage database (SFLD), to analyze these structure−function relationships. Unique to the SFLD is its hierarchical classification scheme based on linking the specific partial reactions (or other chemical capabilities) that are conserved at the superfamily, subgroup, and family levels with the conserved structural elements that mediate them. We present the results of analyses using the SFLD in correcting misannotations, guiding protein engineering experiments, and elucidating the function of recently solved enzyme structures from the structural genomics initiative. The SFLD is freely accessible at http://sfld.rbvi.ucsf.edu.
Cytoscape is the premiere platform for interactive analysis, integration and visualization of network data. While Cytoscape itself delivers much basic functionality, it relies on community-written apps to deliver specialized functions and analyses. To date, Cytoscape's CyREST feature has allowed researchers to write workflows that call basic Cytoscape functions, but provides no access to its high value app-based functions. With Cytoscape Automation, workflows can now call apps that have been upgraded to expose their functionality. This article collection is a resource to assist readers in quickly and economically leveraging such apps in reproducible workflows that scale independently to large data sets and production runs.
This species is referred to in Dr. Fitton's Memoir on the Section at Atherfield (Quart. Geol. Jour. vol. iii.) under the name of Nautilus Saxbianus ( vide Table, p. 289). Its general form is like that of Ammonites Fittoni (d'Archiac), and Am. splendens (Sow.). It also closely resembles the N. mesodicus (Quenstedt), but differs from it in being of less breadth, having a smaller umbilicus, and in the greater number of the septa.
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