2,125 research outputs found

    Haze in the Klang Valley of Malaysia

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    Continuous measurements of dry aerosol light scattering (Bsp) were made at two sites in the Klang Valley of Malaysia between December 1998 and December 2000. In addition 24-h PM2.5 samples were collected on a one-day-in-six cycle and the chemical composition of the aerosol was determined. Periods of excessive haze were defined as 24-h average Bsp values greater than 150 Mm-1 and these occurred on a number of occasions, between May and September 1999, during May 2000, and between July and September 2000. The evidence for smoke being a significant contributor to aerosol during periods of excessive haze is discussed and includes features of the aerosol chemistry, the diurnal cycle of Bsp, and the coincidence of forest fires on Sumatra during the southwest (SW) monsoon period, as well as transport modelling for one week of the southwest Monsoon of 2000. The study highlights that whilst transboundary smoke is a major contributor to poor visibility in the Klang Valley, smoke from fires on Peninsular Malaysia is also a contributor, and at all times, the domestic source of secondary particle production is present

    Charge Transfer in Partition Theory

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    The recently proposed Partition Theory (PT) [J.Phys.Chem.A 111, 2229 (2007)] is illustrated on a simple one-dimensional model of a heteronuclear diatomic molecule. It is shown that a sharp definition for the charge of molecular fragments emerges from PT, and that the ensuing population analysis can be used to study how charge redistributes during dissociation and the implications of that redistribution for the dipole moment. Interpreting small differences between the isolated parts' ionization potentials as due to environmental inhomogeneities, we gain insight into how electron localization takes place in H2+ as the molecule dissociates. Furthermore, by studying the preservation of the shapes of the parts as different parameters of the model are varied, we address the issue of transferability of the parts. We find good transferability within the chemically meaningful parameter regime, raising hopes that PT will prove useful in chemical applications.Comment: 12 pages, 16 figure

    Randomized trial of polychromatic blue-enriched light for circadian phase shifting, melatonin suppression, and alerting responses.

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    Wavelength comparisons have indicated that circadian phase-shifting and enhancement of subjective and EEG-correlates of alertness have a higher sensitivity to short wavelength visible light. The aim of the current study was to test whether polychromatic light enriched in the blue portion of the spectrum (17,000 K) has increased efficacy for melatonin suppression, circadian phase-shifting, and alertness as compared to an equal photon density exposure to a standard white polychromatic light (4000 K). Twenty healthy participants were studied in a time-free environment for 7 days. The protocol included two baseline days followed by a 26-h constant routine (CR1) to assess initial circadian phase. Following CR1, participants were exposed to a full-field fluorescent light (1 × 10 14 photons/cm 2 /s, 4000 K or 17,000 K, n = 10/condition) for 6.5 h during the biological night. Following an 8 h recovery sleep, a second 30-h CR was performed. Melatonin suppression was assessed from the difference during the light exposure and the corresponding clock time 24 h earlier during CR1. Phase-shifts were calculated from the clock time difference in dim light melatonin onset time (DLMO) between CR1 and CR2. Blue-enriched light caused significantly greater suppression of melatonin than standard light ((mean ± SD) 70.9 ± 19.6% and 42.8 ± 29.1%, respectively, p \u3c 0.05). There was no significant difference in the magnitude of phase delay shifts. Blue-enriched light significantly improved subjective alertness (p \u3c 0.05) but no differences were found for objective alertness. These data contribute to the optimization of the short wavelength-enriched spectra and intensities needed for circadian, neuroendocrine and neurobehavioral regulation

    Modeling sea-salt aerosols in the atmosphere: 2. Atmospheric concentrations and fluxes

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    Atmospheric sea-salt aerosol concentrations are studied using both long-term observations and model simulations of Na+ at seven stations around the globe. Good agreement is achieved between observations and model predictions in the northern hemisphere. A stronger seasonal variation occurs in the high-latitude North Atlantic than in regions close to the equator and in high-latitude southern hemisphere. Generally, concentrations are higher for both boreal and austral winters. With the model, the production flux and removal flux at the atmosphere-ocean interface was calculated and used to estimate the global sea-salt budget. The flux also shows seasonal variation similar to that of sea-salt concentration. Depending on the geographic location, the model predicts that dry deposition accounts for 60–70% of the total sea-salt removed from the atmosphere while in-cloud and below-cloud precipitation scavenging accounts for about 1% and 28–39% of the remainder, respectively. The total amount of sea-salt aerosols emitted from the world oceans to the atmosphere is estimated to be in the vicinity of 1.17×1016 g yr−1. Approximately 99% of the sea-salt aerosol mass generated by wind falls back to the sea with about 1–2% remaining in the atmosphere to be exported from the original grid square (300×300 km). Only a small portion of that exported (∼4%) is associated with submicron particles that are likely to undergo long-range transport

    Quasiparticle properties in a density functional framework

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    We propose a framework to construct the ground-state energy and density matrix of an N-electron system by solving selfconsistently a set of single-particle equations. The method can be viewed as a non-trivial extension of the Kohn-Sham scheme (which is embedded as a special case). It is based on separating the Green's function into a quasi-particle part and a background part, and expressing only the background part as a functional of the density matrix. The calculated single-particle energies and wave functions have a clear physical interpretation as quasiparticle energies and orbitals.Comment: 12 pages, 1 figure, to be published in Phys. Rev.

    Collagen IV levels are elevated in the serum of patients with primary breast cancer compared to healthy volunteers

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    Collagen IV is a major component of the vascular basement membrane and may be a marker of angiogenesis. Serum levels of this protein are elevated in some human cancers. Our objectives were to compare collagen IV levels in the serum of breast cancer patients and healthy women and to examine changes during preoperative chemotherapy. Sera from 51 patients with stage II–III breast cancer and 55 healthy controls were analysed. Collagen IV level was measured by a commercially available sandwich enzyme link immunoassay. Baseline serum levels were compared between cancer patients and healthy women and paired pre- and post-chemotherapy measurements were also performed in 39 patients who received preoperative chemotherapy and were correlated with response to therapy. The median serum collagen IV concentration was significantly higher in cancer patients (166 μg l−1) than in healthy women (115 μg l−1), P<0.001. Chemotherapy induced a significant further increase in serum collagen IV (167 μg l−1 prechemo vs 206 μg l−1 postchemo, P=0.001). There were no correlations between baseline collagen IV levels and response to therapy, age, clinical stage or HER2 status. In conclusion, patients with breast cancer have elevated levels of collagen IV compared to healthy women and collagen IV levels increase further during chemotherapy

    Coupling-constant expression and exact relations for the kinetic-energy functional in pair-density-functional theory

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    We derive the coupling-constant expression for the kinetic energy (KE) functional of the pair-density-functional theory. Such the expression can be effectively used in developing the approximate KE functional. Indeed, on the basis of this expression, we present an approximate form of the KE functional by means of the perturbation theory. Furthermore, as the first step of an alternative way of obtaining the approximate KE functional, we derive several relations and bounds for the KE functional by investigating how the KE functional changes with the nonuniform scaling, rotation, and translation of electron coordinates. Such relations and bounds can be utilized as restrictive conditions on the approximate form. Thus, the coupling-constant expression, relations and bounds obtained here provide useful tools for devising various types of the approximate KE functional that is indispensable for advancing the pair-density-functional theory
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