Structure and Dynamics of the Quasi-Liquid Layer at the Surface of Ice from Molecular Simulations

We characterized the structural and dynamical properties of the quasi-liquid layer (QLL) at the surface of ice by molecular dynamics simulations with a thermodynamically consistent water model. Our simulations show that for three low-index ice surfaces only the outermost molecular layer presents short-range and mid-range disorder and is diffusive. The onset temperature for normal diffusion is much higher than the glass temperature of supercooled water, although the diffusivity of the QLL is higher than that of bulk water at the corresponding temperature. The underlying subsurface layers impose an ordered template, which produces a regular patterning of the ice/water interface at any temperature, and is responsible for the major differences between QLL and bulk water, especially for what concern the dynamics and the mid-range structure of the hydrogen-bonded network. Our work highlights the need of a holistic approach to the characterization of QLL, as a single experimental technique may probe only one specific feature, missing part of the complexity of this fascinating system.Comment: 6 Figure

Self-assembly and electron-beam-induced direct etching of suspended graphene nanostructures

We report on suspended single-layer graphene deposition by a transfer-printing approach based on polydimethylsiloxane stamps. The transfer printing method allows the exfoliation of graphite flakes from a bulk graphite sample and their residue-free deposition on a silicon dioxide substrate. This deposition system creates a blistered graphene surface due to strain induced by the transfer process itself. Single-layer-graphene deposition and its "blistering" on the substrate are demonstrated by a combination of Raman spectroscopy, scanning electron microscopy and atomic-force microscopy measurements. Finally, we demonstrate that blister-like suspended graphene are self-supporting single-layer structures and can be flattened by employing a spatially-resolved direct-lithography technique based on electron-beam induced etching.Comment: 17 pages, 5 figure

Spin-Mediated Consciousness Theory: An Approach Based On Pan-Protopsychism

As an alternative to our original dualistic approach, we present here our spin-mediated consciousness theory based on pan-protopsychism. We postulate that consciousness is intrinsically connected to quantum mechanical spin since said spin is embedded in the microscopic structure of spacetime and may be more fundamental than spacetime itself. Thus, we theorize that consciousness emerges quantum mechanically from the collective dynamics of "protopsychic" spins under the influence of spacetime dynamics. That is, spin is the "pixel" of mind. The unity of mind is achieved by quantum entanglement of the mind-pixels. Applying these ideas to the particular structures and dynamics of the brain, we postulate that the human mind works as follows: The nuclear spin ensembles ("NSE") in both neural membranes and proteins quantum mechanically process consciousness-related information such that conscious experience emerges from the collapses of entangled quantum states of NSE under the influence of the underlying spacetime dynamics. Said information is communicated to NSE through strong spin-spin couplings by biologically available unpaired electronic spins such as those carried by rapidly diffusing oxygen molecules and neural transmitter nitric oxides that extract information from their diffusing pathways in the brain. In turn, the dynamics of NSE has effects through spin chemistry on the classical neural activities such as action potentials and receptor functions thus influencing the classical neural networks of said brain. We also present supporting evidence and make important predictions. We stress that our theory is experimentally verifiable with present technologies

Functionalized Single-walled Nanotubes And Methods Thereof

Described are single-walled metal oxide nanotubes having a plurality of organic functional units or moieties bonded generally in a covalent manner to the inner wall of the single-walled nanotubes. Functionalization of the single-walled metal oxide nanotubes is performed in a single-step during synthesis of the nanotubes. The organic functional units are found dispersed throughout the length of the inner wall and not sterically hindered or contained at only the mouth or ends of the single-walled metal oxide nanotubes.Georgia Tech Research Corporatio

Student-generated submicro diagrams : a useful tool for teaching and learning chemical equations and stoichiometry

This paper reports on a pedagogical approach to the teaching of chemical equations introduced to first year university students with little previous chemical knowledge. During the instruction period students had to interpret and construct diagrams of reactions at the submicro level, and relate them to chemical equations at the symbolic level with the aim of improving their conceptual understanding of chemical equations and stoichiometry. Students received instruction in symbol conventions, practice through graded tutorial tasks, and feedback on their efforts over the semester. Analysis of the student responses to formative test and summative exam items over consecutive years indicates that there was a consistent improvement in the abilities of the various cohorts to answer stoichiometry questions correctly. The responses provide evidence for diagrams of the submicro level being used as tools for reasoning in solving chemical problems, to recognise misconceptions of chemical formulae and to recognise the value of using various multiple representations of chemical reactions connecting the submicro and symbolic levels of representation. The student-generated submicro diagrams serve as a visualisation tool for teaching and learning abstract concepts in solving stoichiometric problems. We argue that the use of diagrams of the submicro level provides a more complete picture of the reaction, rather than a net summary of a chemical equation, leading to a deeper conceptual understanding.<br /

Stereo-Aware Extension of HOSE Codes

The file attached to this record is the author's final peer reviewed version. The Publisher's final version can be found by following the DOI link.Descriptions of molecular environments have many applications in chemoinformatics, including chemical shift prediction. Hierarchically ordered spherical environment (HOSE) codes are the most popular such descriptions. We developed a method to extend these with stereochemistry information. It enables distinguishing atoms which would be considered identical in traditional HOSE codes. The use of our method is demonstrated by chemical shift predictions for molecules in the nmrshiftdb2 database. We give a full specification and an implementation