RESUMEN
Introduction: Automated plant-based measurements of water stress have the potential to advance precision irrigation in orchard crops. Previous studies have shown correlations between sap flow, line variable differential transform (LVDT) dendrometers and fruit tree drought response. Here we report season-long automated measurement of maximum daily change in trunk diameter using band dendrometers and heated needles to measure a simplified sap flow index (SFI). Methods: Measurements were made on two apple cultivars that were stressed at 7 to 12 day intervals by withholding irrigation until the average stem water potential (ΨStem) dropped below -1.5 MPa, after which irrigation was restored and the drought cycle repeated. Results: Dendrometer measurements of maximum daily trunk shrinkage (MDS) were highly correlated (r² = 0.85) with pressure chamber measurements of stem water potential. The SFI measurements were less correlated with stem water potential but were highly correlated with evaporative demand (r² = 0.82) as determined by the Penman-Monteith equation (ETr). Discussion: The high correlation of SFI to ETr suggests that high-density orchards resemble a continuous surface, unlike orchards with widely spaced trees. The correlations of MDS and SFI to ΨStem were higher during the early season than the late season growth. Band dendrometers are less labor intensive to install than LVDT dendrometers and are non-invasive so are well suited to commercialization.
RESUMEN
The nature of the chemical bonding of a pentacene molecule to a gold surface is studied. The calculations are carried out using two very different methodologies, the ab inito gaussian molecular orbital method and a numerical atomic orbital method, developed from the well tested SIESTA approach. Using the GAUSSIAN 09 package, we employ both local density B3LYP, and long-range correlated functionals CAM-B3LYP, ωB97, and ωB97X. For comparison, we also calculate the adsorption energy using the ATOMISTIX TOOLKIT with the revised PBE functional. Within computational and experimental errors we find that the best description of the binding energies can be obtained from GAUSSIAN calculations using long-range ωB97 and ωB97X exchange functionals. Thus the nature of chemical bonding of a pentacene to gold is a van der Waals type. To understand the large variation in the geometries computed by different methods, we calculate energy profiles in both X- and Y-directions. The energy barriers appear to be very small and comparable with the value of room temperature. Thus a pentacene molecule moves on a gold surface with almost no friction at room temperatures. An estimation of the work function is often obtained from a simple electrostatic approach. We test this estimation and find that this approach cannot be used because it significantly underestimates the work function. This investigation gives insights into the structure and bonding of pentacene to a gold surface and provides ideas for the improvement of methodologies for computing the properties of van der Waals adsorbates.