Oak Ridge National Laboratory

About: Oak Ridge National Laboratory is a facility organization based out in Oak Ridge, Tennessee, United States. It is known for research contribution in the topics: Neutron & Ion. The organization has 31868 authors who have published 73724 publications receiving 2633689 citations. The organization is also known as: ORNL.

Supramolecular binding and separation of hydrocarbons within a functionalized porous metal–organic framework

Abstract: Supramolecular interactions are fundamental to host-guest binding in chemical and biological processes. Direct visualisation of such supramolecular interactions within host-guest systems is extremely challenging but crucial for the understanding of their function. We report a comprehensive study combining neutron scattering with synchrotron X-ray and neutron diffraction, coupled with computational modelling, to define the detailed binding at a molecular level of acetylene, ethylene and ethane within the porous host NOTT-300. This study reveals the simultaneous and cooperative hydrogen-bonding, π···π stacking interactions and inter-molecular dipole interactions in the binding of acetylene and ethylene to give up to twelve individual weak supramolecular interactions aligned within the host to form an optimal geometry for intelligent, selective binding of hydrocarbons. We also report, for the first time, the cooperative binding of a mixture of acetylene and ethylene within the porous host together with the corresponding breakthrough experiment and analysis of mixed gas adsorption isotherms.

Evaluating environmental consequences of producing herbaceous crops for bioenergy.

Abstract: The environmental costs and benefits of producing bioenergy crops can be measured both in terms of the relative effects on soil, water and wildlife habitat quality of replacing alternate cropping systems with the designated bioenergy system, and in terms of the quality and amount of energy that is produced per unit of energy expended. While many forms of herbaceous and woody energy crops will likely contribute to future biofuels systems, The Department of Energy's Bioenegy Feedstock Development Program (BFDP), has chosen to focus its primary herbaceous crops research emphasis on a perennial grass species, switchgrass ( Panicum virgatum) . The choice of switchgrass as a model bioenergy species was based on its high yields, high nutrient use efficiency and wide geographic distribution. Another important consideration was its positive environmental attributes. The latter include its positive effects on soil quality and stability, its cover value for wildlife, and relatively low inputs of energy, water and agrochemicals required per unit of energy produced. A comparison of the energy budgets for corn, which is the primary current source of bioethanol, and switchgrass reveals that the efficiency of energy production for a perennial grass system can exceed that for an energy intensive annual row crop by as much as 15 times. In addition potential reductions in CO 2 emissions, tied to the energetic efficiency of producing transportation fuels and replacing non-renewable petrochemical fuels with ethanol derived from grasses are very promising. Calculated carbon sequestration rates may exceed those of annual crops by as much as 20–30 times, due in part to carbon storage in the soil. These differences have major implications for both the rate and efficiency with which fossil energy sources can be replaced with cleaner burning biofuels. Current research is emphasizing quantification of changes in soil nutrients and soil organic matter to provide improved understanding of the long term changes in soil quality associated with annual removal of high yields of herbaceous energy crops.

A catalytic beacon sensor for uranium with parts-per-trillion sensitivity and millionfold selectivity

Abstract: Here, we report a catalytic beacon sensor for uranyl (UO22+) based on an in vitro-selected UO22+-specific DNAzyme. The sensor consists of a DNA enzyme strand with a 3′ quencher and a DNA substrate with a ribonucleotide adenosine (rA) in the middle and a fluorophore and a quencher at the 5′ and 3′ ends, respectively. The presence of UO22+ causes catalytic cleavage of the DNA substrate strand at the rA position and release of the fluorophore and thus dramatic increase of fluorescence intensity. The sensor has a detection limit of 11 parts per trillion (45 pM), a dynamic range up to 400 nM, and selectivity of >1-million-fold over other metal ions. The most interfering metal ion, Th(IV), interacts with the fluorescein fluorophore, causing slightly enhanced fluorescence intensity, with an apparent dissociation constant of ≈230 μM. This sensor rivals the most sensitive analytical instruments for uranium detection, and its application in detecting uranium in contaminated soil samples is also demonstrated. This work shows that simple, cost-effective, and portable metal sensors can be obtained with similar sensitivity and selectivity as much more expensive and sophisticated analytical instruments. Such a sensor will play an important role in environmental remediation of radionuclides such as uranium.

Dual-frequency resonance-tracking atomic force microscopy

Abstract: A dual-excitation method for resonant-frequency tracking in scanning probe microscopy based on amplitude detection is developed. This method allows the cantilever to be operated at or near resonance for techniques where standard phase locked loops are not possible. This includes techniques with non-acoustic driving where the phase of the driving force is frequency and/or position dependent. An example of the latter is piezoresponse force microscopy (PFM), where the resonant frequency of the cantilever is strongly dependent on the contact stiffness of the tip–surface junction and the local mechanical properties, but the spatial variability of the drive phase rules out the use of a phase locked loop. Combined with high-voltage switching and imaging, dual-frequency, resonance-tracking PFM allows reliable studies of electromechanical and elastic properties and polarization dynamics in a broad range of inorganic and biological systems, and is illustrated using lead zirconate–titanate, rat tail collagen, and native and switched ferroelectric domains in lithium niobate.