Parabolic subgroups in FC-type Artin groups

Parabolic subgroups are the building blocks of Artin groups. This paper extends previous results of Cumplido, Gebhardt, Gonzales-Meneses and Wiest, known only for parabolic subgroups of finite type Artin groups, to parabolic subgroups of FC-type Artin groups. We show that the class of finite type parabolic subgroups is closed under intersection. We also study an analog of the curve complex for mapping class group constructed by Cumplido et al. using parabolic subgroups. We extend the construction of this complex, called the complex of parabolic subgroups, to FC-type Artin groups. We show that this simplicial complex is, in most cases, infinite diameter and conjecture that it is δ-hyperbolic.     

On distance-regular Cayley graphs of generalized dicyclic groups

Let G be a generalized dicyclic group with identity 1. An inverse closed subset S of $G?\{1\}$ is called minimal if $〈S〉=G$ and there exists some $s\in S$ such that $〈S?\{s,s^{?1}\}〉\ne G$. In this paper, we characterize distance-regular Cayley graphs $\mathrm{Cay}(G,S)$ of G under the condition that S is minimal.     

Vertex-disjoint rainbow triangles in edge-colored graphs

Let $G$ be an edge-colored graph of order $n$. The minimum color degree of $G$, denoted by ${\delta }^c\left(G\right)$, is the largest integer $k$ such that for every vertex $v$, there are at least $k$ distinct colors on edges incident to $v$. We say that an edge-colored graph is rainbow if all its edges have different colors. In this paper, we consider vertex-disjoint rainbow triangles in edge-colored graphs. Li (2013) showed that if ${\delta }^c\left(G\right)\ge (n+1)∕2$, then $G$ contains a rainbow triangle and the lower bound is tight. Motivated by this result, we prove that if $n\ge 20$ and ${\delta }^c\left(G\right)\ge (n+2)∕2$, then $G$ contains two vertex-disjoint rainbow triangles. In particular, we conjecture that if ${\delta }^c\left(G\right)\ge (n+k)∕2$, then $G$ contains $k$ vertex-disjoint rainbow triangles. For any integer $k\ge 2$, we show that if $n\ge 16k-12$ and ${\delta }^c\left(G\right)\ge n∕2+k-1$, then $G$ contains $k$ vertex-disjoint rainbow triangles. Moreover, we provide sufficient conditions for the existence of $k$ edge-disjoint rainbow triangles.     

Identifying aspirin polymorphs from combined DFT-based crystal structure prediction and solid-state NMR

A combined experimental and computational approach was used to distinguish between different polymorphs of the pharmaceutical drug aspirin. This method involves the use of ab initio random structure searching (AIRSS), a density functional theory (DFT)-based crystal structure prediction method for the high-accuracy prediction of polymorphic structures, with DFT calculations of nuclear magnetic resonance (NMR) parameters and solid-state NMR experiments at natural abundance. AIRSS was used to predict the crystal structures of form-I and form-II of aspirin. The root-mean-square deviation between experimental and calculated ¹H chemical shifts was used to identify form-I as the polymorph present in the experimental sample, the selection being successful despite the large similarities between the molecular environments in the crystals of the two polymorphs.