Investigation of low-lying electronic states in nitromethane by electron-impact spectroscopy

Low energy, variable angle, electron-impact energy-loss spectra of nitromethane have been obtained. A previously unreported singlet → triplet excitation with maximum intensity at 3.8 eV energy loss is observed and its relevance to the gas phase photochemistry of nitromethane is discussed. An additional weak transition with maximum intensity at 4.45 eV energy loss is tentatively assigned to a symmetry-forbidden transition.     

Electron-impact investigation of excited singlet states in 1,3-butadiene

Electron-impact energy-loss spectra of 1,3-butadiene have been obtained at impact energies from 35 eV to 90 eV, at a scattering angle of 0°, and at a     

Measurement of the isospin amplitude ∣M012∣ in the reaction γn → ϱ0(pπ−) at 7.5 GeV

The cross-channel isospin amplitude $\text{∣M}{}_0{}^{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}\text{∣}$ is measured in the single reaction γn → ?⁰(pπ^?) at 7.5 GeV assuming the ?⁰ dominance model. A low-mass enhancement is found for $\text{∣M}{}_0{}^{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}\text{∣}{}^2$ in the range of m(pπ^?) of ～1.2 to ～1.7 GeV. The reaction strongly violates s-channel helicity conservation but is consistent with t-channel helicity conservation. The $\text{∣M}{}_0{}^{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}\text{∣}$ features are found to be very similar to those obtained in previous analyses of πp → π(Nπ) reactions.     

Two-settlement electricity markets with price caps and Cournot generation firms

We compare two alternative mechanisms for capping prices in two-settlement electricity markets. With sufficient lead time, forward market prices are implicitly capped by competitive pressure of potential entry that will occur when forward prices rise above some backstop price. Another more direct approach is to cap spot prices through a regulatory intervention. In this paper we explore the implications of these two alternative mechanisms in a two-settlement Cournot equilibrium framework. We formulate the market equilibrium as a stochastic equilibrium problem with equilibrium constraints (EPEC) capturing congestion effects, probabilistic contingencies and horizontal market power. As an illustrative test case, we use the 53-bus Belgian electricity network with representative generator costs but hypothetical demand and ownership structure. Compared to a price-uncapped two-settlement system, a forward cap increases firms’ incentives for forward contracting, whereas a spot cap reduces such incentives. Moreover, in both cases, more forward contracts are committed as the generation resource ownership structure becomes more diversified.     

Effect of molecular conformations on the adsorption behavior of gold-binding peptides

Despite extensive recent reports on combinatorially selected inorganic-binding peptides and their bionanotechnological utility as synthesizers and molecular linkers, there is still only limited knowledge about the molecular mechanisms of peptide binding to solid surfaces. There is, therefore, much work that needs to be carried out in terms of both the fundamentals of solid-binding kinetics of peptides and the effects of peptide primary and secondary structures on their recognition and binding to solid materials. Here we discuss the effects of constraints imposed on FliTrx-selected gold-binding peptide molecular structures upon their quantitative gold-binding affinity. We first selected two novel gold-binding peptide (AuBP) sequences using a FliTrx random peptide display library. These were, then, synthesized in two different forms: cyclic (c), reproducing the original FliTrx gold-binding sequence as displayed on bacterial cells, and linear (l) dodecapeptide gold-binding sequences. All four gold-binding peptides were then analyzed for their adsorption behavior using surface plasmon resonance spectroscopy. The peptides exhibit a range of binding affinities to and adsorption kinetics on gold surfaces, with the equilibrium constant, Keq, varying from 2.5x10(6) to 13.5x10(6) M(-1). Both circular dichroism and molecular mechanics/energy minimization studies reveal that each of the four peptides has various degrees of random coil and polyproline type II molecular conformations in solution. We found that AuBP1 retained its molecular conformation in both the c- and l-forms, and this is reflected in having similar adsorption behavior. On the other hand, the c- and l-forms of AuBP2 have different molecular structures, leading to differences in their gold-binding affinities.     

X-ray structure and DFT study of C1-C60(CF3)12. A high-energy, kinetically-stable isomer prepared at 500 degrees C

The title compound, prepared from C(60) and CF(3)I at 500 degrees C, exhibits an unusual fullerene(X)12 addition pattern that is 40 kJ mol(-1) less stable than the previously reported C(60)(CF(3))12 isomer.