On Cyclic Edge-Connectivity of Fullerenes

A graph is said to be cyclic $k$-edge-connected, if at least $k$ edges must be removed to disconnect it into two components, each containing a cycle. Such a set of $k$ edges is called a cyclic-$k$-edge cutset and it is called a trivial cyclic-$k$-edge cutset if at least one of the resulting two components induces a single $k$-cycle. It is known that fullerenes, that is, 3-connected cubic planar graphs all of whose faces are pentagons and hexagons, are cyclic 5-edge-connected. In this article it is shown that a fullerene $F$ containing a nontrivial cyclic-5-edge cutset admits two antipodal pentacaps, that is, two antipodal pentagonal faces whose neighboring faces are also pentagonal. Moreover, it is shown that $F$ has a Hamilton cycle, and as a consequence at least $15\cdot 2^{\lfloor \frac{n}{20}\rfloor}$ perfect matchings, where $n$ is the order of $F$.Comment: 11 pages, 9 figure

Calculating the number of Hamilton cycles in layeredpolyhedral graphs

We describe a method for computing the number of Hamilton cycles in cubic polyhedral graphs. The Hamilton cycle counts are expressed in terms of a finite-state machine, and can be written as a matrix expression. In the special case of polyhedral graphs with repeating layers, the state machines become cyclic, greatly simplifying the expression for the exact Hamilton cycle counts, and let us calculate the exact Hamilton cycle counts for infinite series of graphs that are generated by repeating the layers. For some series, these reduce to closed form expressions, valid for the entire infinite series. When this is not possible, evaluating the number of Hamiltonian cycles admitted by the series' k-layer member is found by computing a (k - 1)th matrix power, requiring O(log(2)(k)) matrix-matrix multiplications. We demonstrate our technique for the two infinite series of fullerene nanotubes with the smallest caps. In addition to exact closed form and matrix expressions, we provide approximate exponential formulas for the number of Hamilton cycles.Peer reviewe

Fullerenes with the maximum Clar number

The Clar number of a fullerene is the maximum number of independent resonant hexagons in the fullerene. It is known that the Clar number of a fullerene with n vertices is bounded above by [n/6]-2. We find that there are no fullerenes whose order n is congruent to 2 modulo 6 attaining this bound. In other words, the Clar number for a fullerene whose order n is congruent to 2 modulo 6 is bounded above by [n/6]-3. Moreover, we show that two experimentally produced fullerenes C80:1 (D5d) and C80:2 (D2) attain this bound. Finally, we present a graph-theoretical characterization for fullerenes, whose order n is congruent to 2 (respectively, 4) modulo 6, achieving the maximum Clar number [n/6]-3 (respectively, [n/6]-2)

Relations between global forcing number and maximum anti-forcing number of a graph

The global forcing number of a graph G is the minimal cardinality of an edge subset discriminating all perfect matchings of G, denoted by gf(G). For any perfect matching M of G, the minimal cardinality of an edge subset S in E(G)-M such that G-S has a unique perfect matching is called the anti-forcing number of M,denoted by af(G, M). The maximum anti-forcing number of G among all perfect matchings is denoted by Af(G). It is known that the maximum anti-forcing number of a hexagonal system equals the famous Fries number. We are interested in some comparisons between the global forcing number and the maximum anti-forcing number of a graph. For a bipartite graph G, we show that gf(G)is larger than or equal to Af(G). Next we mainly extend such result to non-bipartite graphs, which is the set of all graphs with a perfect matching which contain no two disjoint odd cycles such that their deletion results in a subgraph with a perfect matching. For any such graph G, we also have gf(G) is larger than or equal to Af(G) by revealing further property of non-bipartite graphs with a unique perfect matching. As a consequence, this relation also holds for the graphs whose perfect matching polytopes consist of non-negative 1-regular vectors. In particular, for a brick G, de Carvalho, Lucchesi and Murty [4] showed that G satisfying the above condition if and only if G is solid, and if and only if its perfect matching polytope consists of non-negative 1-regular vectors. Finally, we obtain tight upper and lower bounds on gf(G)-Af(G). For a connected bipartite graph G with 2n vertices, we have that 0 \leq gf(G)-Af(G) \leq 1/2 (n-1)(n-2); For non-bipartite case, -1/2 (n^2-n-2) \leq gf(G)-Af(G) \leq (n-1)(n-2).Comment: 19 pages, 11 figure

The topology of fullerenes

Fullerenes are carbon molecules that form polyhedral cages. Their bond structures are exactly the planar cubic graphs that have only pentagon and hexagon faces. Strikingly, a number of chemical properties of a fullerene can be derived from its graph structure. A rich mathematics of cubic planar graphs and fullerene graphs has grown since they were studied by Goldberg, Coxeter, and others in the early 20th century, and many mathematical properties of fullerenes have found simple and beautiful solutions. Yet many interesting chemical and mathematical problems in the field remain open. In this paper, we present a general overview of recent topological and graph theoretical developments in fullerene research over the past two decades, describing both solved and open problems. WIREs Comput Mol Sci 2015, 5:96–145. doi: 10.1002/wcms.1207 Conflict of interest: The authors have declared no conflicts of interest for this article. For further resources related to this article, please visit the WIREs website

European Journal of Combinatorics Index, Volume 27

BACKGROUND: Diabetes is an inflammatory condition associated with iron abnormalities and increased oxidative damage. We aimed to investigate how diabetes affects the interrelationships between these pathogenic mechanisms. METHODS: Glycaemic control, serum iron, proteins involved in iron homeostasis, global antioxidant capacity and levels of antioxidants and peroxidation products were measured in 39 type 1 and 67 type 2 diabetic patients and 100 control subjects. RESULTS: Although serum iron was lower in diabetes, serum ferritin was elevated in type 2 diabetes (p = 0.02). This increase was not related to inflammation (C-reactive protein) but inversely correlated with soluble transferrin receptors (r = - 0.38, p = 0.002). Haptoglobin was higher in both type 1 and type 2 diabetes (p &lt; 0.001) and haemopexin was higher in type 2 diabetes (p &lt; 0.001). The relation between C-reactive protein and haemopexin was lost in type 2 diabetes (r = 0.15, p = 0.27 vs r = 0.63, p &lt; 0.001 in type 1 diabetes and r = 0.36, p = 0.001 in controls). Haemopexin levels were independently determined by triacylglycerol (R(2) = 0.43) and the diabetic state (R(2) = 0.13). Regarding oxidative stress status, lower antioxidant concentrations were found for retinol and uric acid in type 1 diabetes, alpha-tocopherol and ascorbate in type 2 diabetes and protein thiols in both types. These decreases were partially explained by metabolic-, inflammatory- and iron alterations. An additional independent effect of the diabetic state on the oxidative stress status could be identified (R(2) = 0.5-0.14). CONCLUSIONS: Circulating proteins, body iron stores, inflammation, oxidative stress and their interrelationships are abnormal in patients with diabetes and differ between type 1 and type 2 diabetes</p