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NMR and NEXAFS Study of Various Graphite Fluorides

Graphite fluorides with different structural types (CyF)(n) (y = 2.5, 2, and 1) and room temperature graphite fluorides were studied by solid state,NMR and NEXAFS. Data extracted from those two techniques are complementary, providing information about the C-F bonding and the hybridization character of the carbon atom valence states. The comparison of data obtained by different methods such as NMR,

Coupled-Cluster Interaction Energies for 200-Atom Host-Guest Systems

We have developed a method to calculate interaction energies of large systems (such as host-guest or even protein-ligand systems) at the local coupled-cluster with singles, doubles, and perturbative triples level, and with extrapolation to the limit of a complete basis set. The method is based on the polarizable multipole interactions with supermolecular pairs molecular fractionation approach, whi

Stabilizing Single Ni Adatoms on a Two-Dimensional Porous Titania Overlayer at the SrTiO3(110) Surface.

Nickel vapor-deposited on the SrTiO3(110) surface was studied using scanning tunneling microscopy, photoemission spectroscopy (PES), and density functional theory calculations. This surface forms a (4 × 1) reconstruction, composed of a 2-D titania structure with periodic six- and ten-membered nanopores. Anchored at these nanopores, Ni single adatoms are stabilized at room temperature. PES measurem

Using sustainability criteria in law

The purpose of the article is to raise interest for using sustainability criteria as a means to promote and safeguard sustainability for traded products and their production. The focus is put on how sustainability criteria can be efficiently used in legal constructions. Practical examples from the biofuel sector are provided.

Simulating space heating demand with respect to non-constant heat gains from household electricity

It is crucial to perform energy simulations during the building process to design a building that meets requirements regarding low energy use. In a low energy building, internal heat gains such as excess heat from household electricity are a large part of the heat balance of the building. The internal heat gains depend on the occupants and are not constant, although they are often assumed constant

Electrical properties of GaSb/InAsSb core/shell nanowires

Temperature dependent electronic properties of GaSb/InAsSb core/shell and GaSb nanowires have been studied. Results from two-probe and four-probe measurements are compared to distinguish between extrinsic (contact-related) and intrinsic (nanowire) properties. It is found that a thin (2-3 nm) InAsSb shell allows low barrier charge carrier injection to the GaSb core, and that the presence of the she

Cataract surgeons outperform medical students in Eyesi virtual reality cataract surgery: evidence for construct validity.

Purpose: To investigate construct validity for modules hydromaneuvers and phaco on the Eyesi surgical simulator. Methods: Seven cataract surgeons and 17 medical students performed capsulorhexis, hydromaneuvers, phaco, navigation, forceps, cracking and chopping modules in a standardized manner. Three trials were performed on each module (two on phaco) in the above order. Performance parameters

Equation of state for Eu-doped SrSi2O2N2

alpha-SrSi2O2N2 is one of the recently studied oxonitridosilicates applicable in optoelectronics, in particular in white LEDs. Its elastic properties remain unknown. A survey of literature shows that, up to now, nine oxonitridosilicate materials have been identified. For most of these compounds, doped with rare earths and manganese, a luminescence has been reported at a wavelength characteristic f

Primary cilia mechanics affects cell mechanosensation: A computational study.

Primary cilia (PC) are mechanical cell structures linked to the cytoskeleton and are central to how cells sense biomechanical signals from their environment. However, it is unclear exactly how PC mechanics influences cell mechanosensation. In this study we investigate how the PC mechanical characteristics are involved in the mechanotransduction process whereby cilium deflection under fluid flow in

ESS Cryogenic System Process Design

The European Spallation Source (ESS) is a neutron-scattering facility funded and supported in collaboration with 17 European countries in Lund, Sweden. Cryogenic cooling at ESS is vital particularly for the linear accelerator, the hydrogen target moderators, a test stand for cryomodules, the neutron instruments and their sample environments. The paper will focus on specific process design criteria

Weight change in middle adulthood and breast cancer risk in the EPIC-PANACEA study

Long-term weight gain (i.e., weight gain since age 20) has been related to higher risk of postmenopausal breast cancer, but a lower risk of premenopausal breast cancer. The effect of weight change in middle adulthood is unclear. We investigated the association between weight change in middle adulthood (i.e., women aged 40-50 years) and the risk of breast cancer before and after the age of 50. We i

Green roof performance towards management of runoff water quantity and quality: A review

This review paper addresses the role of green roofs in urban drainage considering both management of water quantity and quality. Results from investigation of full scale installations as well as from laboratory models are reviewed. The following factors affecting runoff dynamics from green roofs are discussed: type of green roof and its geometrical properties (slope): soil moisture characteristics

Dynamics of the echolocation beam during prey pursuit in aerial hawking bats.

In the evolutionary arms race between prey and predator, measures and countermeasures continuously evolve to increase survival on both sides. Bats and moths are prime examples. When exposed to intense ultrasound, eared moths perform dramatic escape behaviors. Vespertilionid and rhinolophid bats broaden their echolocation beam in the final stage of pursuit, presumably as a countermeasure to keep ev

Collective physician perspectives on non-oral medication approaches for the management of clinically relevant unresolved issues in Parkinson's disease: Consensus from an international survey and discussion program.

Navigate PD was an educational program established to supplement existing guidelines and provide recommendations on the management of Parkinson's disease (PD) refractory to oral/transdermal therapies. It involved 103 experts from 13 countries overseen by an International Steering Committee (ISC) of 13 movement disorder specialists. The ISC identified 71 clinical questions important for device-aide