Non-Linear Transport through a Molecular Nanojunction

We present a simple model of electrical transport through a metal-molecule-metal nanojunction that includes charging effects as well as aspects of the electronic structure of the molecule. The interplay of a large charging energy and an asymmetry of the metal-molecule coupling can lead to various effects in non-linear electrical transport. In particular, strong negative differential conductance is observed under certain conditions.Comment: 7 pages, 5 figures, accepted by Europhys. Let

The Singing Brooklet

https://digitalcommons.library.umaine.edu/mmb-ps/3632/thumbnail.jp

On Gallai's decomposition theorem for graphs

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Characterization and Dynamics of Substituted Ruthenacyclobutanes Relevant to the Olefin Cross-Metathesis Reaction

The reaction of the phosphonium alkylidene [(H_(2)IMes)RuCl2═CHP(Cy)_3)]^(+) BF_(4)^− with propene, 1-butene, and 1-hexene at −45 °C affords various substituted, metathesis-active ruthenacycles. These metallacycles were found to equilibrate over extended reaction times in response to decreases in ethylene concentrations, which favored increased populations of α-monosubstituted and α,α′-disubstituted (both cis and trans) ruthenacycles. On an NMR time scale, rapid chemical exchange was found to preferentially occur between the β-hydrogens of the cis and trans stereoisomers prior to olefin exchange. Exchange on an NMR time scale was also observed between the α- and β-methylene groups of the monosubstituted ruthenacycle (H_(2)IMes)Cl_(2)Ru(CHRCH_(2)CH_(2)) (R = CH_3, CH_(2)CH_3, (CH_2)_)_(3)CH_3). EXSY NMR experiments at −87 °C were used to determine the activation energies for both of these exchange processes. In addition, new methods have been developed for the direct preparation of metathesis-active ruthenacyclobutanes via the protonolysis of dichloro(1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene)(benzylidene) bis(pyridine)ruthenium(II) and its 3-bromopyridine analogue. Using either trifluoroacetic acid or silica-bound toluenesulfonic acid as the proton source, the ethylene-derived ruthenacyclobutane (H_(2)IMes)Cl_(2)Ru(CH_(2)CH_(2)CH_(2)) was observed in up to 98% yield via NMR at −40 °C. On the basis of these studies, mechanisms accounting for the positional and stereochemical exchange within ruthenacyclobutanes are proposed, as well as the implications of these dynamics toward olefin metathesis catalyst and reaction design are described

Sipping Fuel and Saving Lives: Increasing Fuel Economy without Sacrificing Safety

Demonstrates how new fuel-efficiency technologies make it possible, and advisable, to significantly increase the fuel economy of motor vehicles without compromising their safety

Online Drift Compensation for Chemical Sensors Using Estimation Theory

Sensor drift from slowly changing environmental conditions and other instabilities can greatly degrade a chemical sensor\u27s performance, resulting in poor identification and analyte quantification. In the present work, estimation theory (i.e., various forms of the Kalman filter) is used for online compensation of baseline drift in the response of chemical sensors. Two different cases, which depend on the knowledge of the characteristics of the sensor system, are studied. First, an unknown input is considered, which represents the practical case of analyte detection and quantification. Then, the more general case, in which the sensor parameters and the input are both unknown, is studied. The techniques are applied to simulated sensor data, for which the true baseline and response are known, and to actual liquid-phase SH-SAW sensor data measured during the detection of organophosphates. It is shown that the technique is capable of estimating the baseline signal and recovering the true sensor signal due only to the presence of the analyte. This is true even when the baseline drift changes rate or direction during the detection process or when the analyte is not completely flushed from the system

Global land use implications of biofuels: State of the art conference and workshop on modelling global land use implications in the environmental assessment of biofuels

Background, Aims and Scope On 4¿5 June 2007, an international conference was held in Copenhagen. It provided an interdisciplinary forum where economists and geographers met with LCA experts to discuss the challenges of modelling the ultimate land use changes caused by an increased demand for biofuels. Main Features The main feature of the conference was the cross-breeding of experience from the different approaches to land use modelling: The field of LCA could especially benefit from economic modelling in the identification of marginal crop production and the resulting expansion of the global agricultural area. Furthermore, the field of geography offers insights in the complexity behind new land cultivation and practical examples of where this is seen to occur on a regional scale. Results Results presented at the conference showed that the magnitude and location of land use changes caused by biofuels demand depend on where the demand arises. For instance, mandatory blending in the EU will increase land use both within and outside of Europe, especially in South America. A key learning for the LCA society was that the response to a change in demand for a given crop is not presented by a single crop supplier or a single country, but rather by responses from a variety of suppliers of several different crops in several countries. Discussion The intensification potential of current and future crop and biomass production was widely discussed. It was generally agreed that some parts of the third world hold large potentials for intensification, which are not realised due to a number of barriers resulting in so-called yield gaps. Conclusions Modelling the global land use implications of biofuels requires an interdisciplinary approach optimally integrating economic, geographical, biophysical, social and possibly other aspects in the modelling. This interdisciplinary approach is necessary but also difficult due to different perspectives and mindsets in the different disciplines. Recommendations and Perspectives The concept of a location dependent marginal land use composite should be introduced in LCA of biofuels and it should be acknowledged that the typical LCA assumption of linear substitution is not necessarily valid. Moreover, fertiliser restrictions/accessibility should be included in land use modelling and the relation between crop demand and intensification should be further explored. In addition, environmental impacts of land use intensification should be included in LCA, the powerful concept of land use curves should be further improved, and so should the modelling of diminishing returns in crop production