University of California

About: University of California is a education organization based out in Oakland, California, United States. It is known for research contribution in the topics: Population & Layer (electronics). The organization has 55175 authors who have published 52933 publications receiving 1491169 citations. The organization is also known as: UC & University of California System.

FreeSolv: a database of experimental and calculated hydration free energies, with input files

Abstract: This work provides a curated database of experimental and calculated hydration free energies for small neutral molecules in water, along with molecular structures, input files, references, and annotations. We call this the Free Solvation Database, or FreeSolv. Experimental values were taken from prior literature and will continue to be curated, with updated experimental references and data added as they become available. Calculated values are based on alchemical free energy calculations using molecular dynamics simulations. These used the GAFF small molecule force field in TIP3P water with AM1-BCC charges. Values were calculated with the GROMACS simulation package, with full details given in references cited within the database itself. This database builds in part on a previous, 504-molecule database containing similar information. However, additional curation of both experimental data and calculated values has been done here, and the total number of molecules is now up to 643. Additional information is now included in the database, such as SMILES strings, PubChem compound IDs, accurate reference DOIs, and others. One version of the database is provided in the Supporting Information of this article, but as ongoing updates are envisioned, the database is now versioned and hosted online. In addition to providing the database, this work describes its construction process. The database is available free-of-charge via http://www.escholarship.org/uc/item/6sd403pz .

Method and apparatus for fabricating self-assembling microstructures

Abstract: A method and apparatus for assembling microstructures onto a substrate through fluid transport. The microstructures being shaped blocks self-align into recessed regions located on a substrate such that the microstructure becomes integral with the substrate. The improved method includes a step of transferring the shaped blocks into a fluid to create a slurry. Such slurry is then dispensed evenly or circulated over the top surface of a substrate having recessed regions thereon. The microstructure via the shape and fluid tumbles onto the surface of the substrate, self-aligns, and engages into a recessed region.

Silicon-based sleeve devices for chemical reactions

Abstract: A silicon-based sleeve type chemical reaction chamber (41) that combines heaters, such as doped polysilicon for heating, and bulk silicon for convection cooling. The reaction chamber combines a critical ratio of silicon and silicon nitride to the volume of material to be heated (e.g., a liquid) in order to provide uniform heating, yet low power requirements. The reaction chamber will also allow the introduction of a secondary tube (45) (e.g., plastic) into the reaction sleeve that contains the reaction mixture thereby alleviating any potential materials incompatibility issues. The reaction chamber may be utilized in any chemical reaction system for synthesis or processing of organic, inorganic, or biochemical reactions, such as the polymerase chain reaction (PCR) and/or other DNA reactions, such as the ligase chain reaction, which are examples of a synthetic, thermal-cycling-based reaction. The reaction chamber may be used in synthesis instruments, particularly those for DNA amplification and synthesis.

The energy balance experiment EBEX-2000. Part I: Overview and energy balance

Abstract: An overview of the Energy Balance Experiment (EBEX-2000) is given. This experiment studied the ability of state-of-the-art measurements to close the surface energy balance over a surface (a vegetative canopy with large evapotranspiration) where closure has been difficult to obtain. A flood-irrigated cotton field over uniform terrain was used, though aerial imagery and direct flux measurements showed that the surface still was inhomogeneous. All major terms of the surface energy balance were measured at nine sites to characterize the spatial variability across the field. Included in these observations was an estimate of heat storage in the plant canopy. The resultant imbalance still was 10%, which exceeds the estimated measurement error. We speculate that horizontal advection in the layer between the canopy top and our flux measurement height may cause this imbalance, though our estimates of this term using our measurements resulted in values less than what would be required to balance the budget.

Notes on factorial invariance

Abstract: Lawley's selection theorem is applied to subpopulations derived from a parent in which the classical factor model holds for a specified set of variables. The results show that there exists an invariant factor pattern matrix that describes the regression of observed on factor variables in every subpopulation derivable by selection from the parent, given that selection does not occur directly on the observable variables and does not reduce the rank of the system. However, such a factor pattern matrix is not unique, which in turn implies that if a simple structure factor pattern matrix can be satisfactorily determined in one such subpopulation the same simple structure can be found in any subpopulation derivable by selection. The implications of these results for “parallel proportional profiles” and “factor matching” techniques are discussed.