The Fate of Anthropogenic Organic Pollutants in Soil: Adsorption/Desorption of Pesticides Possessing Endocrine Disruptor Activity by Natural Organic Matter (Humic Substances)

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Direct Measurement of Competing Quantum Effects on the Kinetic Energy of Heavy Water upon Melting

Even at room temperature, quantum mechanics plays a major role in determining the quantitative behaviour of light nuclei, changing significantly the values of physical properties such as the heat capacity. However, other observables appear to be only weakly affected by nuclear quantum effects (NQEs): for instance, the melting temperatures of light and heavy water differ by less than 4 K. Recent theoretical work has attributed this to a competition between intra and inter molecular NQEs, which can be separated by computing the anisotropy of the quantum kinetic energy tensor. The principal values of this tensor change in opposite directions when ice melts, leading to a very small net quantum mechanical effect on the melting point. This paper presents the first direct experimental observation of this phenomenon, achieved by measuring the deuterium momentum distributions n(p) in heavy water and ice using Deep Inelastic Neutron Scattering (DINS), and resolving their anisotropy. Results from the experiments, supplemented by a theoretical analysis, show that the anisotropy of the quantum kinetic energy tensor can also be captured for heavier atoms such as oxygen

Extensions and block decompositions for finite-dimensional representations of equivariant map algebras

Suppose a finite group acts on a scheme $X$ and a finite-dimensional Lie algebra $\mathfrak{g}$. The associated equivariant map algebra is the Lie algebra of equivariant regular maps from $X$ to $\mathfrak{g}$. The irreducible finite-dimensional representations of these algebras were classified in previous work with P. Senesi, where it was shown that they are all tensor products of evaluation representations and one-dimensional representations. In the current paper, we describe the extensions between irreducible finite-dimensional representations of an equivariant map algebra in the case that $X$ is an affine scheme of finite type and $\mathfrak{g}$ is reductive. This allows us to also describe explicitly the blocks of the category of finite-dimensional representations in terms of spectral characters, whose definition we extend to this general setting. Applying our results to the case of generalized current algebras (the case where the group acting is trivial), we recover known results but with very different proofs. For (twisted) loop algebras, we recover known results on block decompositions (again with very different proofs) and new explicit formulas for extensions. Finally, specializing our results to the case of (twisted) multiloop algebras and generalized Onsager algebras yields previously unknown results on both extensions and block decompositions.Comment: 41 pages; v2: minor corrections, formatting changed to match published versio

The quantum nature of the OH stretching mode in ice and water probed by neutron scattering experiments

The OH stretching vibrational spectrum of water was measured in a wide range of temperatures across the triple point, 269 K <T < 296 K, using Inelastic Neutron Scattering (INS). The hydrogen projected density of states and the proton mean kinetic energy, ⟨E K ⟩ OH , were determined for the first time within the framework of a harmonic description of the proton dynamics. We found that in the liquid the value of ⟨E K ⟩ OH is nearly constant as a function of T, indicating that quantum effects on the OH stretching frequency are weakly dependent on temperature. In the case of ice, ab initio electronic structure calculations, using non-local van der Waals functionals, provided ⟨E K ⟩ OH values in agreement with INS experiments. We also found that the ratio of the stretching (⟨E K ⟩ OH ) to the total (⟨E K ⟩ exp ) kinetic energy, obtained from the present measurements, increases in going from ice, where hydrogen bonding is the strongest, to the liquid at ambient conditions and then to the vapour phase, where hydrogen bonding is the weakest. The same ratio was also derived from the combination of previous deep inelastic neutron scattering data, which does not rely upon the harmonic approximation, and the present measurements. We found that the ratio of stretching to the total kinetic energy shows a minimum in the metastable liquid phase. This finding suggests that the strength of intermolecular interactions increases in the supercooled phase, with respect to that in ice, contrary to the accepted view that supercooled water exhibits weaker hydrogen bonding than ice

FlhF, a signal recognition particle-like GTPase, is involved in the regulation of flagellar arrangement, motility behaviour and protein secretion in Bacillus cereus

Flagellar arrangement is a highly conserved feature within bacterial species. However, only a few genes regulating cell flagellation have been described in polar flagellate bacteria. This report demonstrates that the arrangement of flagella in the peritrichous flagellate Bacillus cereus is controlled by flhF. Disruption of flhF in B. cereus led to a reduction in the number of flagella from 10-12 to 1-3 filaments per cell in the insertion mutant MP06. Moreover, compared to the parental strain, MP06 exhibited: (i) shorter smooth swimming phases, causing reduced swimming motility but not affecting chemotaxis; (ii) complete inhibition of swarming motility, as differentiated swarm cells were never detected; (iii) an increased amount of extracellular proteins; and (iv) differential export of virulence determinants, such as haemolysin BL (HBL), phosphatidylcholine-preferring phospholipase C (PC-PLC) and non-haemolytic enterotoxin (NHE). Introduction of a plasmid harbouring flhF (pDGflhF) into MP06 completely restored the wild-type phenotype in the trans-complemented strain MP07. B. cereus flhF was found to constitute a monocistronic transcriptional unit and its overexpression did not produce abnormal features in the wild-type background. Characterization of a B. cereus mutant (MP05) carrying a partial flhF deletion indicated that the last C-terminal domain of FlhF is involved in protein export while not required for flagellar arrangement and motility behaviour. Taken together, these data suggest that B. cereus FlhF is a promising candidate for connecting diverse cellular functions, such as flagellar arrangement, motility behaviour, pattern of protein secretion and virulence phenotype

Contribution of Surfactin and SwrA to Flagellin Expression, Swimming, and Surface Motility in Bacillus subtilis.

Multicellular communities produced by Bacillus subtilis can adopt sliding or swarming to translocate over surfaces. While sliding is a flagellum-independent motility produced by the expansive forces in a growing colony, swarming requires flagellar functionality and is characterized by the appearance of hyperflagellated swarm cells that associate in bundles or rafts during movement. Previous work has shown that swarming by undomesticated B. subtilis strains requires swrA, a gene that upregulates the expression of flagellar genes and increases swimming motility, and surfactin, a lipopeptide biosurfactant that also facilitates sliding. Through an analysis of swrA(+) and swrA mutant laboratory strains with or without a mutation in sfp (a gene involved in surfactin production), we show that both swrA and surfactin upregulate the transcription of the flagellin gene and increase bacterial swimming. Surfactin also allows the nonswarming swrA mutant strain to efficiently colonize moist surfaces by sliding. Finally, we reconfirm the essential role of swrA in swarming and show that surfactin, which increases surface wettability, allows swrA(+) strains to produce swarm cells on media at low humidity

More than one dynamic crossover in protein hydration water

Studies of liquid water in its supercooled region have led to many insights into the structure and behavior of water. While bulk water freezes at its homogeneous nucleation temperature of approximately 235 K, for protein hydration water, the binding of water molecules to the protein avoids crystallization. Here we study the dynamics of the hydrogen bond (HB) network of a percolating layer of water molecules, comparing measurements of a hydrated globular protein with the results of a coarse-grained model that has been shown to successfully reproduce the properties of hydration water. With dielectric spectroscopy we measure the temperature dependence of the relaxation time of protons charge fluctuations. These fluctuations are associated to the dynamics of the HB network of water molecules adsorbed on the protein surface. With Monte Carlo (MC) simulations and mean--field (MF) calculations we study the dynamics and thermodynamics of the model. In both experimental and model analyses we find two dynamic crossovers: (i) one at about 252 K, and (ii) one at about 181 K. The agreement of the experiments with the model allows us to relate the two crossovers to the presence of two specific heat maxima at ambient pressure. The first is due to fluctuations in the HB formation, and the second, at lower temperature, is due to the cooperative reordering of the HB network

YAP scintillators for resonant detection of epithermal neutrons at pulsed neutron sources

Recent studies indicate the resonance detector (RD) technique as an interesting approach for neutron spectroscopy in the electron volt energy region. This work summarizes the results of a series of experiments where RD consisting of YAlO3 (YAP) scintillators were used to detect scattered neutrons with energy in the range 1-200 eV. The response of YAP scintillators to radiative capture gamma emission from a U-238 analyzer foil was characterized in a series of experiments performed on the VESUVIO spectrometer at the ISIS pulsed neutron source. In these experiments a biparametric data acquisition allowed the simultaneous measurements of both neutron time-of-flight and gamma pulse height (energy) spectra. The analysis of the gamma pulse height and neutron time of flight spectra permitted to identify and distinguish the signal and background components. These measurements showed that a significant improvement in the signal-to-background ratio can be achieved by setting a lower level discrimination on the pulse height at about 600 keV equivalent photon energy. Present results strongly indicate YAP scintillators as the ideal candidate for neutron scattering studies with epithermal neutrons at both very low (<5degrees) and intermediate scattering angles. (C) 2004 American Institute of Physics