Using crystallography, topology and graph set analysis for the description of the hydrogen bond network of triamterene: a rational approach to solid form selection
نویسندگان
چکیده
This study has demonstrated the use of crystallography, topology and graph set analysis in the description and classification of the complex hydrogen bonded network of triamterene. The aim is to give a brief overview of the methodology used to discuss the crystal structure of triamterene with a view to extending the study to include the solvates, cocrystals and salts of this compound. Graphical abstract One of the structurally significant dimers (supramolecular synthons) of triamterene identified by this study.
منابع مشابه
TOPOLOGY OPTIMIZATION OF PLANE STRUCTURES USING BINARY LEVEL SET METHOD AND ISOGEOMETRIC ANALYSIS
This paper presents the topology optimization of plane structures using a binary level set (BLS) approach and isogeometric analysis (IGA). In the standard level set method, the domain boundary is descripted as an isocountour of a scalar function of a higher dimensionality. The evolution of this boundary is governed by Hamilton–Jacobi equation. In the BLS method, the interfaces of subdomai...
متن کاملISOGEOMETRIC TOPOLOGY OPTIMIZATION OF STRUCTURES USING LEVEL SET METHOD INCORPORATING SENSITIVITY ANALYSIS
This study focuses on the topology optimization of structures using a hybrid of level set method (LSM) incorporating sensitivity analysis and isogeometric analysis (IGA). First, the topology optimization problem is formulated using the LSM based on the shape gradient. The shape gradient easily handles boundary propagation with topological changes. In the LSM, the topological gradient method as ...
متن کاملA Novel Approach for Detecting Relationships in Social Networks Using Cellular Automata Based Graph Coloring
All the social networks can be modeled as a graph, where each roles as vertex and each relationroles as an edge. The graph can be show as G = [V;E], where V is the set of vertices and E is theset of edges. All social networks can be segmented to K groups, where there are members in eachgroup with same features. In each group each person knows other individuals and is in touch ...
متن کاملBeeID: intrusion detection in AODV-based MANETs using artificial Bee colony and negative selection algorithms
Mobile ad hoc networks (MANETs) are multi-hop wireless networks of mobile nodes constructed dynamically without the use of any fixed network infrastructure. Due to inherent characteristics of these networks, malicious nodes can easily disrupt the routing process. A traditional approach to detect such malicious network activities is to build a profile of the normal network traffic, and then iden...
متن کاملSampling from social networks’s graph based on topological properties and bee colony algorithm
In recent years, the sampling problem in massive graphs of social networks has attracted much attention for fast analyzing a small and good sample instead of a huge network. Many algorithms have been proposed for sampling of social network’ graph. The purpose of these algorithms is to create a sample that is approximately similar to the original network’s graph in terms of properties such as de...
متن کامل