Structural characterization of crystalline ternary inclusion compounds at the air-water interface

Crystalline ternary inclusion monolayers consisting of a two-dimensional hydrogen-bonded host network of guanidinium (G) ions and organosulfonate (S) amphiphiles, and biphenylalkane guests, can be generated at the air-water interface through synergistic structural enforcement by hydrogen bonding and host-guest packing. Surface pressure-area isotherms of the 4'-hexadecylbiphenyl-4-sulfonate (C16BPS) amphiphile in the presence of G, with or without guest, are characterized by lift-off molecular areas expected for the GS sheet based on single-crystal X-ray structures of homologous bulk crystals. Intercalation of biphenylalkane guests (4-C(n)()H(2)(n)()(+1)-C(6)H(4)-C(6)H(5), n = 1, 4, 6, 10, 16; denoted CnBP) between organosulfonate hydrophobes, which define pocketlike cavities in the GS monolayer host, afford ternary inclusion monolayers with a 1:1 host-guest stoichiometry. These inclusion monolayers are less compressible than the guest-free host, consistent with dense packing of the biphenylalkane moieties of the host and the biphenylalkane guests. The inclusion monolayers are distinguished from the amorphous guest-free host and from selected guanidinium-free mixed monolayers by structural characterization with grazing-angle incidence X-ray diffraction (GIXD). The GIXD data for the ternary (G)C16BPS:C16BP and (G)C16BPS:C6BP inclusion monolayers obtained upon compression are consistent with a rectangular unit cell. The dimensions of these unit cells and refinement of the GIXD data suggest a "rotated shifted ribbon" GS hydrogen-bonding motif similar to that observed in some bulk GS crystals, including (G)(ethylbiphenylsulfonate). GIXD reveals that (G)C16BPS:C16BP and (G)C16BPS:C6BP are more crystalline than the corresponding guanidinium-free mixed monolayers. The (G)C16BPS:C6BP inclusion monolayer is stable upon compression, even though the alkyl-alkyl host-guest interactions are reduced due to the shorter hexyl substituents of the guest, demonstrating an important reinforcing role for the hydrogen-bonded GS sheet. The structure of a C16BPS:tetracosane (C24) mixed monolayer is independent of G; the unit cell symmetry and dimensions suggest a structure governed by alkyl-alkane interactions that prohibit formation of a GS network. These results illustrate that the existence of ternary inclusion monolayers with an intact GS network requires guest molecules that are structurally homologous with the hydrophobes of the host, in this case biphenylalkanes. The observation of these inclusion compounds suggests an approach for introducing functional nonamphiphilic molecules to an air-water interface through inclusion in a well-defined host.     

Experimental evidence for a light and broad scalar resonance in D(+) --> pi(-)pi(+)pi(+) decay

From a sample of 1172 +/- 61 D(+)-->pi(-)pi(+)pi(+) decays, we find gamma(D(+)-->pi(-)pi(+)pi(+))/gamma(D(+)-->K-pi(+)pi(+)) = 0.0311 +/- 0.0018(+0.0016)(-0.0026). Using a coherent amplitude analysis to fit the Dalitz plot of these decays, we find strong evidence that a scalar resonance of mass 478(+24)(-23) +/- 17 MeV/c(2) and width 324(+42)(-40) +/- 21 MeV/c(2) accounts for approximately half of all decays.     

Empirical analysis of the evolution of a scientific collaboration network

We present an analysis of the temporal evolution of a scientific coauthorship network, the genetic programming network. We find evidence that the network grows according to preferential attachment, with a slightly sublinear rate. We empirically find how a giant component forms and develops, and we characterize the network by several other time-varying quantities: the mean degree, the clustering coefficient, the average path length, and the degree distribution. We find that the first three statistics increase over time in the growing network; the degree distribution tends to stabilize toward an exponentially truncated power-law. We finally suggest an effective network interpretation that takes into account the aging of collaboration relationships.     

L p boundedness of Marcinkiewicz integrals with H 1 kernels

We establish the L^p boundedness of Marcinkiewicz integral operators with kernels in theHardy space on a compact submanifold of finite type. Previously such boundedness properties were obtained when the submanifold is a sphere. Our result shows that what matters is not the symmetry, but a certain type of curvature property of the submanifold.     

MAOS ls for the general synthesis and lead optimization of 3,6-disubstituted-[1,2,4]triazolo[4,3-b]pyridazines

General, high-yielding MAOS protocols for the expedient synthesis of functionalized 3,6-disubstituted-[1,2,4]triazolo[4,3-b]pyridazines are described amenable to an iterative analog library synthesis strategy for the lead optimization of an M1 antagonist screening hit. Optimized compounds proved to be highly selective M1 antagonists.