1,823 research outputs found
Interaction of Natural Organic Matter with Layered Minerals: Recent Developments in Computational Methods at the Nanoscale
The role of mineral surfaces in the adsorption, transport, formation, and degradation of natural organic matter (NOM) in the biosphere remains an active research area owing to the difficulties in identifying proper working models of both NOM and mineral phases present in the environment. The variety of aqueous chemistries encountered in the subsurface (e.g., oxic vs. anoxic, variable pH) further complicate this field of study. Recently, the advent of nanoscale probes such as X-ray adsorption spectroscopy and surface vibrational spectroscopy applied to study such complicated interfacial systems have enabled new insight into NOM-mineral interfaces. Additionally, due to increasing capabilities in computational chemistry, it is now possible to simulate molecular processes of NOM at multiple scales, from quantum methods for electron transfer to classical methods for folding and adsorption of macroparticles. In this review, we present recent developments in interfacial properties of NOM adsorbed on mineral surfaces from a computational point of view that is informed by recent experiments
Vibrations and Berry Phases of Charged Buckminsterfullerene
A simple model of electron-vibron interactions in buckminsterfullerene ions
is solved semiclassically. Electronic degeneracies of C induce
dynamical Jahn-Teller distortions, which are unimodal for and
bimodal for . The quantization of motion along the Jahn-Teller
manifold leads to a symmetric-top rotator Hamiltonian. I find Molecular
Aharonov-Bohm effects where electronic Berry phases determine the vibrational
spectra, zero point fluctuations, and electrons' pair binding energies. The
latter are relevant to superconductivity in alkali-fullerenes.Comment: Latex 11 pages. IIT-00
Neurocognitive Development of Motivated Behavior: Dynamic Changes across Childhood and Adolescence
Dynamics of Excited Electrons in Copper and Ferromagnetic Transition Metals: Theory and Experiment
Both theoretical and experimental results for the dynamics of photoexcited
electrons at surfaces of Cu and the ferromagnetic transition metals Fe, Co, and
Ni are presented. A model for the dynamics of excited electrons is developed,
which is based on the Boltzmann equation and includes effects of
photoexcitation, electron-electron scattering, secondary electrons (cascade and
Auger electrons), and transport of excited carriers out of the detection
region. From this we determine the time-resolved two-photon photoemission
(TR-2PPE). Thus a direct comparison of calculated relaxation times with
experimental results by means of TR-2PPE becomes possible. The comparison
indicates that the magnitudes of the spin-averaged relaxation time \tau and of
the ratio \tau_\uparrow/\tau_\downarrow of majority and minority relaxation
times for the different ferromagnetic transition metals result not only from
density-of-states effects, but also from different Coulomb matrix elements M.
Taking M_Fe > M_Cu > M_Ni = M_Co we get reasonable agreement with experiments.Comment: 23 pages, 11 figures, added a figure and an appendix, updated
reference
Isolation and Monitoring of the Endohedral Metallofullerenes Y@C82 and Sc3@C82:On-Line Chromatographic Separation with EPR Detection
The direct coupling of high-performance liquid chromatography (HPLC) with on-line electron paramagnetic resonance (EPR) detection is demonstrated for monitoring separations of endohedral metallofullerenes (M@C2n). The HPLC-EPR approach readily permits detection of the paramagnetic species, such as Y@C82 and Sc3@C82, in the presence of the dominant empty-cage fullerenes (C60, C70) and diamagnetic metallofullerenes (e.g., M2@C2n). The results indicate that on-line EPR provides a noninvasive, selective detector for HPLC metallofullerene separations that is readily adaptable to air-sensitive and/or labile compounds. Specifically, the âEPR-activeâ metallofullerenes, Y@C82 and Sc3@C82, are selectively monitored on-line for an initial separation of the metallofullerene fraction from the dominant empty-cage fullerenes utilizing a combination of polystyrene columns. This preparative âcleanupâ procedure is followed by HPLC-EPR separation and monitoring of Y@C82 and Sc3@C82 species using a selective tripodal Ï-acidic-phase column (Trident-Tri-DNP) for the final stages of isolation
Body Fixed Frame, Rigid Gauge Rotations and Large N Random Fields in QCD
The "body fixed frame" with respect to local gauge transformations is
introduced. Rigid gauge "rotations" in QCD and their \Sch equation are studied
for static and dynamic quarks. Possible choices of the rigid gauge field
configuration corresponding to a nonvanishing static colormagnetic field in the
"body fixed" frame are discussed. A gauge invariant variational equation is
derived in this frame. For large number N of colors the rigid gauge field
configuration is regarded as random with maximally random probability
distribution under constraints on macroscopic--like quantities. For the uniform
magnetic field the joint probability distribution of the field components is
determined by maximizing the appropriate entropy under the area law constraint
for the Wilson loop. In the quark sector the gauge invariance requires the
rigid gauge field configuration to appear not only as a background but also as
inducing an instantaneous quark-quark interaction. Both are random in the large
N limit.Comment: 29 pages LATEX, Weizmann Institute preprint WIS-93/40/Apr -P
390 GEOMETRY OF THE ARTICULAR CARTILAGE OF THE TIBIAL PLATEAU IS RELATED TO ANTERIOR CRUCIATE LIGAMENT INJURY RISK
Gravitational waves from rapidly rotating neutron stars
Rapidly rotating neutron stars in Low Mass X-ray Binaries have been proposed
as an interesting source of gravitational waves. In this chapter we present
estimates of the gravitational wave emission for various scenarios, given the
(electromagnetically) observed characteristics of these systems. First of all
we focus on the r-mode instability and show that a 'minimal' neutron star model
(which does not incorporate exotica in the core, dynamically important magnetic
fields or superfluid degrees of freedom), is not consistent with observations.
We then present estimates of both thermally induced and magnetically sustained
mountains in the crust. In general magnetic mountains are likely to be
detectable only if the buried magnetic field of the star is of the order of
G. In the thermal mountain case we find that gravitational
wave emission from persistent systems may be detected by ground based
interferometers. Finally we re-asses the idea that gravitational wave emission
may be balancing the accretion torque in these systems, and show that in most
cases the disc/magnetosphere interaction can account for the observed spin
periods.Comment: To appear in 'Gravitational Waves Astrophysics: 3rd Session of the
Sant Cugat Forum on Astrophysics, 2014', Editor: Carlos F. Sopuert
Supplementing feedlot steers and heifers with Zilmax increases proportions of strip loin, chuck clod, and top sirloin steaks exceeding Warner-Bratzler shear force thresholds, whereas aging moderates this effect
Ractopamine hydrochloride (Elanco, Greenfield, IN) and Zilmax (zilpaterol hydrochloride; Intervet/Schering-Plough, Millsboro, DE) are ÎČ-adrenergic agonists approved in the United States and several other countries to increase growth rate, improve efficiency of feed utilization, and increase carcass meat yield. Zilmax has been shown to improve feed efficiency by 26% and increase hot carcass weight, longissimus muscle area, and meat yield. However, a few studies have shown that Zilmax significantly increased Warner-Bratzler shear force values (decreased tenderness). The objectives of our research were to determine the effects of supplementing feedlot diets of steers and heifers with Zilmax for 0, 20, 30, or 40 days before harvest and the subsequent effects of 7, 14, and 21 days of aging on tenderness of steer and heifer Longissimus lumborum (from strip loins) and heifer Triceps brachii (from chuck clods) and Gluteus medius (from top sirloin butts) muscles
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