Megakaryocyte Motility and Platelet Formation

The mechanism of platelet formation is reviewed with special emphasis on the role of the cytoskeleton. The three major theories for platelet formation are by cytoplasmic budding, cytoplasmic dissolution or pseudopod formation. Most evidence indicates that platelets form as fragments of megakaryocyte pseudopodia. Pseudopodia formation is stimulated in vitro by thrombocytopenic rabbit plasma. It is inhibited by vincristine and altered by taxol. Cytochalasins cause pseudopodia to form in isolated megakaryocytes. Therefore, normal pseudopodia formation may depend on a combination of microfilament disorganization and microtubule elongation

Development of an Advanced Force Field for Water using Variational Energy Decomposition Analysis

Given the piecewise approach to modeling intermolecular interactions for force fields, they can be difficult to parameterize since they are fit to data like total energies that only indirectly connect to their separable functional forms. Furthermore, by neglecting certain types of molecular interactions such as charge penetration and charge transfer, most classical force fields must rely on, but do not always demonstrate, how cancellation of errors occurs among the remaining molecular interactions accounted for such as exchange repulsion, electrostatics, and polarization. In this work we present the first generation of the (many-body) MB-UCB force field that explicitly accounts for the decomposed molecular interactions commensurate with a variational energy decomposition analysis, including charge transfer, with force field design choices that reduce the computational expense of the MB-UCB potential while remaining accurate. We optimize parameters using only single water molecule and water cluster data up through pentamers, with no fitting to condensed phase data, and we demonstrate that high accuracy is maintained when the force field is subsequently validated against conformational energies of larger water cluster data sets, radial distribution functions of the liquid phase, and the temperature dependence of thermodynamic and transport water properties. We conclude that MB-UCB is comparable in performance to MB-Pol, but is less expensive and more transferable by eliminating the need to represent short-ranged interactions through large parameter fits to high order polynomials

Complexity of Coloring Graphs without Paths and Cycles

Let $P_t$ and $C_\ell$ denote a path on $t$ vertices and a cycle on $\ell$ vertices, respectively. In this paper we study the $k$-coloring problem for $(P_t,C_\ell)$-free graphs. Maffray and Morel, and Bruce, Hoang and Sawada, have proved that 3-colorability of $P_5$-free graphs has a finite forbidden induced subgraphs characterization, while Hoang, Moore, Recoskie, Sawada, and Vatshelle have shown that $k$-colorability of $P_5$-free graphs for $k \geq 4$ does not. These authors have also shown, aided by a computer search, that 4-colorability of $(P_5,C_5)$-free graphs does have a finite forbidden induced subgraph characterization. We prove that for any $k$, the $k$-colorability of $(P_6,C_4)$-free graphs has a finite forbidden induced subgraph characterization. We provide the full lists of forbidden induced subgraphs for $k=3$ and $k=4$. As an application, we obtain certifying polynomial time algorithms for 3-coloring and 4-coloring $(P_6,C_4)$-free graphs. (Polynomial time algorithms have been previously obtained by Golovach, Paulusma, and Song, but those algorithms are not certifying); To complement these results we show that in most other cases the $k$-coloring problem for $(P_t,C_\ell)$-free graphs is NP-complete. Specifically, for $\ell=5$ we show that $k$-coloring is NP-complete for $(P_t,C_5)$-free graphs when $k \ge 4$ and $t \ge 7$; for $\ell \ge 6$ we show that $k$-coloring is NP-complete for $(P_t,C_\ell)$-free graphs when $k \ge 5$, $t \ge 6$; and additionally, for $\ell=7$, we show that $k$-coloring is also NP-complete for $(P_t,C_7)$-free graphs if $k = 4$ and $t\ge 9$. This is the first systematic study of the complexity of the $k$-coloring problem for $(P_t,C_\ell)$-free graphs. We almost completely classify the complexity for the cases when $k \geq 4, \ell \geq 4$, and identify the last three open cases