On the calculation of surface energies

A simple formalism based on response theory is used to evaluate expressions for the surface energy of a uniform dielectric or metallic medium and the change in surface energy of a dielectric solvent when a dilute electrolyte is dissolved in it. The latter result coincides with the result of Onsager and Samaras.     

Metalation of unsaturated polymers by using activated organolithium compounds and the formation of graft copolymers. II

Polybutadiene was successfully metalated by use of tert-butyllithium activated with alkoxides of Group I metals without chain degradation. The metalated polymer was grafted with styrene and 1,3-butadiene to give novel graft copolymers of varying microstructure. This metalating system was found to be highly efficient; however, its catalyst effectiveness is less than that of organolithium-TMEDA metalation agent.     

Synthesis and characterization of ionic liquids containing copper, manganese, or zinc coordination cations

Copper-, manganese-, and zinc-based ionic liquids (Cu{NH(2)CH(2)CH(2)OH}(6)[CH(3)(CH(2))(3)CH(C(2)H(5))CO(2)](2) (2), Cu{NH(CH(2)CH(2)OH)(2)}(6)[CH(3)(CH(2))(3)CH(C(2)H(5))CO(2)](2) (3A), Cu{NH(CH(2)CH(2)OH)(2)}(6)[CF(3)SO(3)](2) (3B), Cu{NH(CH(2)CH(2)OH)(2)}(6)[(CF(3)SO(2))(2)N](2) (3C), Mn{NH(CH(2)CH(2)OH)(2)}(6)[CF(3)SO(3)](2) (4), and Zn{NH(2)CH(2)CH(2)OH}(6)[CF(3)SO(3)](2) (5)) are synthesized in a single-step reaction. Infrared data suggest that ethanolamine preferentially coordinates to the metal center through the amine group in 2 and the hydroxyl group in 5. In addition, diethanolamine coordinates through the amine group in 3A, 3C, and 4 and the hydroxyl group in 3B. The compounds are viscous (>1000 cP) at room temperature, but two (3C and 4) display specific conductivities that are reasonably high for ionic liquids (>20 mS cm(-1)). All of the compounds display a glass transition (T(g)) below -50 °C. The cyclic voltammograms (CVs) of 2, 3A, 3B, and 3C display a single quasi-reversible wave associated with Cu(II)/Cu(I) reduction and re-oxidation while 5 shows a wave attributed to Zn(II)/Zn(0) reduction and stripping (re-oxidation). Compound 4 is the first in this new family of transition metal-based ionic liquids (MetILs) to display reversible Mn(II)/Mn(III) oxidation and re-reduction at 50 mV s(-1) using a glassy carbon working electrode.     

The computation of laminar flames

Hydrocarbon fuels will remain a major source of energy well into the second half of the 21st century and, despite dire warnings about their limited supply, known resources have actually increased over the past decade. Nevertheless, finite supplies and increasing demand will exert pressure on the efficient use of these fuels, especially if their price continues to climb. Specifically, electricity generation and propulsion will continue to rely heavily upon the burning of hydrocarbon fuels for many years to come. Although an understanding of combustion in practical combustors is essential to the goals of reducing pollution and increasing energy efficiency, three-dimensional models of these systems with detailed transportation fuel chemistry and complex transport are beyond our current computational capabilities. Instead, one can study flames with complex chemistry in simpler laminar configurations to provide insight into the chemical and physical processes occurring in many engineered systems. In this paper, we trace the development of mathematical models and computational methods for laminar flame problems, with a particular emphasis on numerical algorithms that enable their coupled solution. While most of the focus is on steady systems, we also discuss issues related to time-dependent flames.     

Topological K-Theory of Algebraic K-Theory Spectra

Let KX denote the algebraic K-theory spectrum of a regular Noetherian scheme X. Under mild additional hypotheses on X, we construct a spectral sequence converging to the topological K-theory of KX. The spectral sequence starts from the étale homology of X with coefficients in a certain copresheaf constructed from roots of unity. As examples we consider number rings, number fields, local fields, smooth curves over a finite field, and smooth varieties over the complex numbers.     

Polarization measurements in high-energy deuteron photodisintegration

We present measurements of the recoil proton polarization for the d(gamma-->,p-->)n reaction at straight theta(c.m.) = 90 degrees for photon energies up to 2.4 GeV. These are the first data in this reaction for polarization transfer with circularly polarized photons. The induced polarization p(y) vanishes above 1 GeV, contrary to meson-baryon model expectations, in which resonances lead to large polarizations. However, the polarization transfer Cx does not vanish above 1 GeV, inconsistent with hadron helicity conservation. Thus, we show that the scaling behavior observed in the d(gamma,p)n cross sections is not a result of perturbative QCD. These data should provide important tests of new nonperturbative calculations in the intermediate energy regime.     

A high performance low magnetic field internal electrospray ionization-fourier transform ion cyclotron resonance mass spectrometer

A new in-magnetic field electrospray ionization (ESI) and Fourier transform ion cyclotron resonance mass spectrometer has been constructed and evaluated. This system is characterized by the use of multiple concentric cryopanels to achieve ultrahigh vacuum in the ion cyclotron resonance cell region, a probe-mounted internal ESI source, and a novel in-field shutter. Initial experiments demonstrate high resolution mass measurement capability at a field strength of 1 T. Mass resolution of 700,000 has been obtained for the 3+ charge state of Met-Lys-bradykinin (at m/z 440) generated by electrospray ionization. When electron impact ionization was employed, resolution in excess of 9,200,000 was achieved for nitrogen molecular ions (N ₂ ⁺ ). Isotopic resolution for molecular ions of bovine ubiquitin (MW=8565 µ) also was achieved by using small ion populations.     

Magnetic resonance in the era of molecular imaging of cancer

Magnetic resonance imaging (MRI) has played an important role in the diagnosis and management of cancer since it was first developed, but other modalities also continue to advance and provide complementary information on the status of tumors. In the future, there will be a major continuing role for noninvasive imaging in order to obtain information on the location and extent of cancer, as well as assessments of tissue characteristics that can monitor and predict treatment response and guide patient management. Developments are currently being undertaken that aim to provide improved imaging methods for the detection and evaluation of tumors, for identifying important characteristics of tumors such as the expression levels of cell surface receptors that may dictate what types of therapy will be effective and for evaluating their response to treatments. Molecular imaging techniques based mainly on radionuclide imaging can depict numerous, specific, cellular and molecular markers of disease and have unique potential to address important clinical and research challenges. In this review, we consider what continuing and evolving roles will be played by MRI in this era of molecular imaging. We discuss some of the challenges for MRI of detecting imaging agents that report on molecular events, but highlight also the ability of MRI to assess other features such as cell density, blood flow and metabolism which are not specific hallmarks of cancer but which reflect molecular changes. We discuss the future role of MRI in cancer and describe the use of selected quantitative imaging techniques for characterizing tumors that can be translated to clinical applications, particularly in the context of evaluating novel treatments.