Characterisation of leather candidate certified reference materials for their mass fractions of aromatic amines

Three batches of leather samples were coloured with nine azo dyes that can yield eight proven or suspected carcinogenic aromatic amines under reduction conditions. The samples were milled to grains and bottled in jars. A group of five laboratories has established the mass fraction of the amines in a ring test using different analytical methods. The methods included a reduction step in order to cleave the azo dyes into the aromatic amines. Quantification was by standard addition: sub-samples of the leathers were spiked with known amounts of azo dyes of known purity. It was possible to establish the mass fractions of six of the eight aromatic amines in three of the leather samples.     

Poly(benzimidazobenzophenanthroline)-Ladder-Type Two-Dimensional Conjugated Covalent Organic Framework for Fast Proton Storage**

Electrochemical proton storage plays an essential role in designing next-generation high-rate energy storage devices, e.g., aqueous batteries. Two-dimensional conjugated covalent organic frameworks (2D c-COFs) are promising electrode materials, but their competitive proton and metal-ion insertion mechanisms remain elusive, and proton storage in COFs is rarely explored. Here, we report a perinone-based poly(benzimidazobenzophenanthroline) (BBL)-ladder-type 2D c-COF for fast proton storage in both a mild aqueous Zn-ion electrolyte and strong acid. We unveil that the discharged C−O⁻ groups exhibit largely reduced basicity due to the considerable π-delocalization in perinone, thus affording the 2D c-COF a unique affinity for protons with fast kinetics. As a consequence, the 2D c-COF electrode presents an outstanding rate capability of up to 200 A g⁻¹ (over 2500 C), surpassing the state-of-the-art conjugated polymers, COFs, and metal–organic frameworks. Our work reports the first example of pure proton storage among COFs and highlights the great potential of BBL-ladder-type 2D conjugated polymers in future energy devices.     

Direct computation of the twist elastic coefficient of a nematic liquid crystal via Monte Carlo simulations

A direct method for the computation of the twist Frank elasticity coefficient of a nematic liquid crystal is presented. The method, suitable for numerical calculations, is tested and applied in Monte Carlo simulations for a model system. The dependence of the elasticity coefficient on the temperature and density and its relation to the nematic order parameter are analyzed and discussed.     

On the Structure of Graphs with Bounded Asteroidal Number

 A set A⊆V of the vertices of a graph G=(V,E) is an asteroidal set if for each vertex a∈A, the set A\{a} is contained in one component of G−N[a]. The maximum cardinality of an asteroidal set of G, denoted by an (G), is said to be the asteroidal number of G. We investigate structural properties of graphs of bounded asteroidal number. For every k≥1, an (G)≤k if and only if an (H)≤k for every minimal triangulation H of G. A dominating target is a set D of vertices such that D∪S is a dominating set of G for every set S such that G[D∪S] is connected. We show that every graph G has a dominating target with at most an (G) vertices. Finally, a connected graph G has a spanning tree T such that d _T (x,y)−d _G (x,y)≤3·|D|−1 for every pair x,y of vertices and every dominating target D of G. Received: July 3, 1998 Final version received: August 10, 1999     

On a disparity between relative cliquewidth and relative NLC-width

Cliquewidth and NLC-width are two closely related parameters that measure the complexity of graphs. Both clique- and NLC-width are defined to be the minimum number of labels required to create a labelled graph by certain terms of operations. Many hard problems on graphs become solvable in polynomial-time if the inputs are restricted to graphs of bounded clique- or NLC-width. Cliquewidth and NLC-width differ at most by a factor of two.The relative counterparts of these parameters are defined to be the minimum number of labels necessary to create a graph while the tree-structure of the term is fixed. We show that Relative Cliquewidth and Relative NLC-width differ significantly in computational complexity. While the former problem is NP-complete the latter is solvable in polynomial time. The relative NLC-width can be computed in O(n³) time, which also yields an exact algorithm for computing the NLC-width in time O(3ⁿn). Additionally, our technique enables a combinatorial characterisation of NLC-width that avoids the usual operations on labelled graphs.     

Electrospray mass spectrometry analysis of dendritic branches bearing peripheral fullerene subunits

The electrospray mass spectrometric characterization of neutral dendrons with a carboxylic acid function or a t-butyl ester moiety at the central point and up to eight peripheral C₆₀ subunits has been performed and is described in detail. Molecules bearing a carboxylic acid group at the center turned out to be preferentially ionized by deprotonation, whereas those with a t-butyl ester head group were ionized by reduction of the C₆₀ units in the infusion capillary of the electrospray source. Electronic supplementary material Supplementary material is available for this article at and is accessible for authorized users.     

Synthesis of fullerodendrons with an ammonium unit at the focal point and their cooperative self-assembly on a fluorescent ditopic crown ether receptor

Dendritic branches with 1, 2, or 4 peripheral fullerene subunits and an ammonium function at the focal point have been prepared. Their ability to form self-assembled dendritic structures with oligophenylenevinylene receptors bearing one or two crown ether moieties has been evidenced by ES-MS studies for the first time. These supramolecular complexes are multicomponent photoactive devices in which the emission of the central receptor is dramatically quenched by the fullerene units. This new property resulting from the association of the different molecular subunits allowed detailed investigations of the self-assembly process by means of fluorescence titrations. The binding studies have revealed positive cooperative effects for the assembly of the fullerodendrimers with the ditopic receptor. Interestingly, the stability of the supramolecular 2:1 structures increases as the size of the dendritic unit increases. This positive dendritic effect has been explained by the larger number of possible intramolecular fullerene-fullerene interactions between the two dendritic guests when the number of fullerene subunits is increased.     

Lattice Opening upon Bulk Reductive Covalent Functionalization of Black Phosphorus

The chemical bulk reductive covalent functionalization of thin‐layer black phosphorus (BP) using BP intercalation compounds has been developed. Through effective reductive activation, covalent functionalization of the charged BP by reaction with organic alkyl halides is achieved. Functionalization was extensively demonstrated by means of several spectroscopic techniques and DFT calculations; the products showed higher functionalization degrees than those obtained by neutral routes.     

Partial Orders on Weak Orders Convex Subsets

We study a visibility relation on the nonempty connected convex subsets of a finite partially ordered set and we investigate the partial orders representable as a visibility relation of such subsets of a weak order. Moreover, we consider restrictions where the subsets of the weak order are total orders or isomorphic total orders.