The tendency of organic contaminants
(OCs) to partition
between
different phases is a key set of properties that underlie their human
and ecological health impacts and the success of remediation efforts.
A significant challenge associated with these efforts is the need
for accurate partitioning data for an ever-expanding list of OCs and
breakdown products. All-atom molecular dynamics (MD) simulations have
the potential to help generate these data, but existing studies have
applied these techniques only to a limited variety of OCs. Here, we
use established MD simulation approaches to examine the partitioning
of 82 OCs, including many compounds of critical concern, at the water–air
interface. Our predictions of the Henry’s law constant (K
H) and interfacial adsorption coefficients (K
iw, K
ia) correlate
strongly with experimental results, indicating that MD simulations
can be used to predict K
H, K
iw, and K
ia values with mean
absolute deviations of 1.1, 0.3, and 0.3 logarithmic units after correcting
for systematic bias, respectively. A library of MD simulation input
files for the examined OCs is provided to facilitate future investigations
of the partitioning of these compounds in the presence of other phases.
The optical effects of laser irradiation on whole human blood were studied. The normal blood samples were taken from healthy persons and the blood samples were exposed to laser beam. Three wavelengths of continuous wave (CW) for diode pumped solid state
lasers (DPSSL S) were used to irradiate the blood samples. The wavelengths are (632 nm, 532 nm,473nm and405 nm ) and output varied between ( 3.9, 50,20 and 4.5) mW respectively. The laser exposure time fixed between (5 and 10 ) min for each wavelength. Laser radiation has a great role in the absorption properties of the normal human blood after being compered with absorption spectrum of a non-irradiated sample.
The blood of human has a number of optical characteristics resulting from irradiation by the beam of laser were studied. The samples of healthy blood were collimated of normal persons and persons with thalassemia, the sample of blood were exposed to laser beam. Continuous wave (CW) for diode pumped solid state lasers (DPSSL’S) were utilized in irradiate the samples of blood with wavelength (473 nm, 20 mW). The laser exposure time varied between (5 and10) min for each sample. Laser radiation has a great role in the absorption effects of the normal human blood after being compered with absorption spectrum of donors with thalassemia.
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