406 research outputs found
The fate of pesticides in soil and aquifers taking a small-scale view: Does spatial heterogeneity in degradation potentials have an impact?
From plant to field: a novel mechanistic approach to modeling soil-plant-atmosphere interactions at the watershed scale
Monitoring and Modeling Farmland Productivity Along the Venice Coastland, Italy
AbstractThe southern portion of the Venice coastland is a very precarious environment and salt contamination of land and groundwater is a severe problem that is seriously impacting the farmland productivity. Geophysical surveys, lab testing and continuous monitoring of hydrological parameters together with crop yield distribution were performed and acquired from 2010 to 2012 in a 21ha basin cultivated with maize crop and representative of the area. The dataset is here used to set-up a numerical model of soil moisture dynamics coupled with plant transpiration, photosynthesis and growth. The hydraulic model is linked to the atmosphere by the calculation of the stomatal conductance which is optimized for maximum carbon gain. The model is applied to the field site to understand the impact of land elevation, soil heterogeneities, and seawater contamination on land productivity
Sulfide-binding hemoglobins: Effects of mutations on active-site flexibility
The dynamics of Hemoglobin I (HbI) from the clam Lucina pectinata, from wild-type sperm whale (SW) myoglobin, and from the L29F/H64Q/V68F triple mutant of SW, both unligated and bound to hydrogen sulfide (H2S), have been studied in molecular dynamics simulations. Features that account for differences in H2S affinity among the three have been examined. Our results verify the existence of an unusual heme rocking motion in unligated HbI that can promote the entrance of large ligands such as H2S. The FQF-mutant partially reproduces the amplitude and relative orientation of the motion of HbI's heme group. Therefore, besides introducing favorable electrostatic interactions with H2S, the three mutations in the distal pocket change the dynamic properties of the heme group. The active-site residues Gln-64(E7), Phe-43(CD1), and His-93(F8) are also shown to be more flexible in unligated HbI than in FQF-mutant and SW. Further contributions to H2S affinity come from differences in hydrogen bonding between the heme propionate groups and nearby amino acid residues.Instituto de Investigaciones FisicoquĂmicas TeĂłricas y Aplicada
Sulfide-binding hemoglobins: Effects of mutations on active-site flexibility
The dynamics of Hemoglobin I (HbI) from the clam Lucina pectinata, from wild-type sperm whale (SW) myoglobin, and from the L29F/H64Q/V68F triple mutant of SW, both unligated and bound to hydrogen sulfide (H2S), have been studied in molecular dynamics simulations. Features that account for differences in H2S affinity among the three have been examined. Our results verify the existence of an unusual heme rocking motion in unligated HbI that can promote the entrance of large ligands such as H2S. The FQF-mutant partially reproduces the amplitude and relative orientation of the motion of HbI's heme group. Therefore, besides introducing favorable electrostatic interactions with H2S, the three mutations in the distal pocket change the dynamic properties of the heme group. The active-site residues Gln-64(E7), Phe-43(CD1), and His-93(F8) are also shown to be more flexible in unligated HbI than in FQF-mutant and SW. Further contributions to H2S affinity come from differences in hydrogen bonding between the heme propionate groups and nearby amino acid residues.Instituto de Investigaciones FisicoquĂmicas TeĂłricas y Aplicada
Moir\'e patterns on STM images of graphite from surface and subsurface rotated layer
We have observed with STM moir\'e patterns corresponding to the rotation of
one graphene layer on HOPG surface. The moir\'e patterns were characterized by
rotation angle and extension in the plane. Additionally, by identifying border
domains and defects we can discriminate between moir\'e patterns due to
rotation on the surface or subsurface layer. For a better understanding of
moir\'e patterns formation we have studied by first principles an array of
three graphene layers where the top or the middle layer appears rotated around
the stacking axis. We compare the experimental and theoretical results and we
show the strong influence of rotations both in surface and subsurface layers
for moir\'e patterns formation in corresponding STM images.Comment: 5 pages, 6 figure
Quorum Sensing N-acyl Homoserine Lactones-SdiA Suppresses Escherichia coli-Pseudomonas aeruginosa Conjugation through Inhibiting traI Expression
- …