11 research outputs found
Geospatial Semantics
Geospatial semantics is a broad field that involves a variety of research
areas. The term semantics refers to the meaning of things, and is in contrast
with the term syntactics. Accordingly, studies on geospatial semantics usually
focus on understanding the meaning of geographic entities as well as their
counterparts in the cognitive and digital world, such as cognitive geographic
concepts and digital gazetteers. Geospatial semantics can also facilitate the
design of geographic information systems (GIS) by enhancing the
interoperability of distributed systems and developing more intelligent
interfaces for user interactions. During the past years, a lot of research has
been conducted, approaching geospatial semantics from different perspectives,
using a variety of methods, and targeting different problems. Meanwhile, the
arrival of big geo data, especially the large amount of unstructured text data
on the Web, and the fast development of natural language processing methods
enable new research directions in geospatial semantics. This chapter,
therefore, provides a systematic review on the existing geospatial semantic
research. Six major research areas are identified and discussed, including
semantic interoperability, digital gazetteers, geographic information
retrieval, geospatial Semantic Web, place semantics, and cognitive geographic
concepts.Comment: Yingjie Hu (2017). Geospatial Semantics. In Bo Huang, Thomas J. Cova,
and Ming-Hsiang Tsou et al. (Eds): Comprehensive Geographic Information
Systems, Elsevier. Oxford, U
Comparison of Implicit and Explicit Solvation Models for <i>Iota</i>-Cyclodextrin Conformation Analysis from Replica Exchange Molecular Dynamics
Large
ring cyclodextrins have become increasingly important for
drug delivery applications. In this work, we have performed replica-exchange
molecular dynamics simulations using both implicit and explicit water
solvation models to study the conformational diversity of <i>iota</i>-cyclodextrin containing 14 α-1,4 glycosidic linked d-glucopyranose units (CD14). The new quantifiable calculation
methods are proposed to analyze the openness, bending, and twisted
conformation of CD14 in terms of circularity, biplanar angle, and
one-directional conformation (ODC). CD14 in GB implicit water model
(Igb5) was found mostly in an opened conformation with average circularity
of 0.39 ± 0.16 and a slight bend with average biplanar angle
of 145.5 ± 16.0°. In contrast, CD14 in TIP3P explicit water
solvation is significantly twisted with average circularity of 0.16 ±
0.10, while 29.1% are ODCs. In addition, classification of CD14 conformations
using a Gaussian mixture model (GMM) shows that 85.0% of all CD14
in implicit water at 300 K correspond to the elliptical conformation,
in contrast to 82.3% in twisted form in explicit water. GMM clustering
also reveals minority conformations of CD14 such as the 8-shape, boat-form,
and twisted conformations. This work provides fundamental insights
into CD14 conformation, influence of solvation models, and also proposes
new quantifiable analysis techniques for molecular conformation studies
in the future
Geoparsing and geocoding places in a dynamic space context: The case of hiking descriptions
International audienceThe backbone of the proposal in this chapter is an automatic parser and a formal encoder of information describing places, spatial and verbal relations in textual documents in order to reconstruct and map the textually described itinerary. These tools allow us to show how to combine the information expressed in French texts, referring to places, spatial actions associated with them, and data found in external geographical resources to build a geocoded representation of an itinerary. Our approach focuses on the automatic reconstruction of routes and transcribes them in their geographical setting, identifying locations and routes by interpreting spatial information in a dynamic space context