Computer Modeling: The Adjunct Micro Technique for Lipids

Chemistry by computer provides access to microsystem information not readily achieved by other means. Simple computational analysis of saturated triglyceride polymorphism by molecular mechanics within constraints provided by X-ray data show that polymethylene interactions determine hydrocarbon crystal properties when they account for more than 60 percent of the total molecular interaction energy. Modeling predicts multiple , nearly equivalent, a -form triglycerides and a -form character in liquid near-crystalline triglycerides. Symmetrical molecules pack better than asymmetric molecules in a-form configurations and transform readily to 13\u27forms if activated sufficiently to disrupt lateral chain interaction and allow dimensional displacements during transformation. The formation of P\u27-forms, thought important for quality in certain foods, may depend on controlling both the configuration of a-form precursors and the sequence of molecular events during the transformation

Influence of environmental factors during seed development and after full-ripeness on pre-harvest sprouting in wheat

Results on environmental and genotypic factors influencing preharvest sprouting of wheat are summarized. Other possible areas where additional research is needed is suggested

Solutions to Maxwell's Equations using Spheroidal Coordinates

Analytical solutions to the wave equation in spheroidal coordinates in the short wavelength limit are considered. The asymptotic solutions for the radial function are significantly simplified, allowing scalar spheroidal wave functions to be defined in a form which is directly reminiscent of the Laguerre-Gaussian solutions to the paraxial wave equation in optics. Expressions for the Cartesian derivatives of the scalar spheroidal wave functions are derived, leading to a new set of vector solutions to Maxwell's equations. The results are an ideal starting point for calculations of corrections to the paraxial approximation

Improved seasonal prediction of European summer temperatures with new five-layer soil-hydrology scheme

We evaluate the impact of a new 5-layer soil-hydrology scheme on seasonal hindcast skill of 2-meter temperatures over Europe obtained with the Max Planck Institute Earth System Model (MPI-ESM). Assimilation experiments from 1981 to 2010 and 10-member seasonal hindcasts initialized on 1 May each year are performed with MPI-ESM in two soil configurations, one using a bucket scheme and one a new 5-layer soil-hydrology scheme. We find the seasonal hindcast skill for European summer temperatures to improve with the 5-layer scheme compared to the bucket scheme, and investigate possible causes for these improvements. First, improved indirect soil moisture assimilation allows for enhanced soil moisture-temperature feedbacks in the hindcasts. Additionally, this leads to improved prediction of anomalies in the 500 hPa geopotential height surface, reflecting more realistic atmospheric circulation patterns over Europe

Density matrix calculation of optical constants from optical to x-ray frequencies

We present a theory of linear optical constants based on a single-particle density matrix and implemented in an extension of the real-space multiple scattering code FEFF. This approach avoids the need to compute wave-functions explicitly, and yields efficient calculations for frequencies ranging from the IR to hard x-rays, and applicable to arbitrary aperiodic systems. Our approach is illustrated with calculations of optical properties and applications for several materials

Frustration driven lattice distortion; an NMR investigation of Y2Mo2O7

We have investigated the 89Y NMR spectrum and spin lattice relaxation, T1, in the magnetically frustrated pyrochlore Y2Mo2O7. We find that upon cooling the spectrum shifts, and broadens asymmetrically. A detailed examination of the low T spectrum reveals that it is constructed from multiple peaks, each shifted by a different amount. We argue that this spectrum is due to discrete lattice distortions, and speculate that these distortions relieve the frustration and reduce the system's energy.Comment: To be published in Phys. Rev. Let

Quantum generalized constant coupling model for geometrically frustrated antiferromagnets

A generalized constant coupling approximation for quantum geometrically frustrated antiferromagnets is presented. Starting from a frustrated unit, we introduce the interactions with the surrounding units in terms of an internal effective field which is fixed by a self consistency condition. Results for the static magnetic susceptibility and specific heat are compared with previous results in the framework of this same model for the classical limit. The range of applicability of the model is discussed.Comment: 11 pages, 6 figures, 1 Tables, typeset using RevTeX 4, small correction in Table

Chemical control of Heterodera schachtii on sugarbeet in California

RESP-790

A global assessment of the impact of climate change on water scarcity

This paper presents a global scale assessment of the impact of climate change on water scarcity. Patterns of climate change from 21 Global Climate Models (GCMs) under four SRES scenarios are applied to a global hydrological model to estimate water resources across 1339 watersheds. The Water Crowding Index (WCI) and the Water Stress Index (WSI) are used to calculate exposure to increases and decreases in global water scarcity due to climate change. 1.6 (WCI) and 2.4 (WSI) billion people are estimated to be currently living within watersheds exposed to water scarcity. Using the WCI, by 2050 under the A1B scenario, 0.5 to 3.1 billion people are exposed to an increase in water scarcity due to climate change (range across 21 GCMs). This represents a higher upper-estimate than previous assessments because scenarios are constructed from a wider range of GCMs. A substantial proportion of the uncertainty in the global-scale effect of climate change on water scarcity is due to uncertainty in the estimates for South Asia and East Asia. Sensitivity to the WCI and WSI thresholds that define water scarcity can be comparable to the sensitivity to climate change pattern. More of the world will see an increase in exposure to water scarcity than a decrease due to climate change but this is not consistent across all climate change patterns. Additionally, investigation of the effects of a set of prescribed global mean temperature change scenarios show rapid increases in water scarcity due to climate change across many regions of the globe, up to 2°C, followed by stabilisation to 4°C