Cobalt-Catalyzed Green Cross-Dehydrogenative C(sp<Superscript>2</Superscript>)-H/P-H Coupling Reactions

Joined electrolysis of arenes (benzene or coumarin derivatives) and diethyl-H-phosphonate (EtO)₂P(O)H in the presence of [CoCl₂(bpy)] catalyst (5%) in an ethanol-aqueous solution in reductive conditions allows obtaining the desired products in a single step by aromatic C–H bonds phosphonation with yields up to 70%. The only by-product is hydrogen; the reaction proceeds at room temperature and does not require specially added reducing agents and oxidants or other initiators. Radical mechanism has been confirmed for the catalytic reaction proceeding via bicobalt phosphonates with Co–P bond, the structure of which also has been identified.     

Predicting phase behavior in aqueous systems without fitting binary parameters I: CP‐PC‐SAFT EOS,aromatic compounds

This study examines an accuracy of CP‐PC‐SAFT attached by the 4C cross‐association scheme and zero values of binary parameters in predicting the high temperature‐high pressure phase behavior in aqueous systems of aromatic compounds containing one and two benzoic rings, CO₂ and cis‐decalin. In spite of the noteworthy complexity of these systems and the entirely predictive nature of the current approach, it correctly predicts the topology of phase behavior and typically yields the quantitatively accurate estimations of critical loci and the hydrocarbon–rich liquid phases in wide range of conditions. The available single phase volumetric data are also predicted accurately. Unfortunately, it is not a case of the water–rich phases exhibiting very small hydrocarbon concentrations. Nevertheless, the model is still capable of capturing the solubility minima characteristic for these phases around the room temperature. Predictions of the recent version of Simplified PC‐SAFT proposed by Liang et al. (2014) are also discussed. © 2017 American Institute of Chemical Engineers AIChE J, 63: 4124–4135, 2017     

RNA‐Cleaving Deoxyribozyme Sensor for Nucleic Acid Analysis: The Limit of Detection

Along with biocompatibility, chemical stability, and simplicity of structural prediction and modification, deoxyribozyme‐based molecular sensors have the potential of an improved detection limit due to their ability to catalytically amplify signal. This study contributes to the understanding of the factors responsible for the limit of detection (LOD) of RNA‐cleaving deoxyribozyme sensors. A new sensor that detects specific DNA/RNA sequences was designed from deoxyribozyme OA‐II [Chiuman, W.; Li, Y. (2006) J. Mol. Biol. 357, 748–754]. The sensor architecture allows for a unique combination of high selectivity, low LOD and the convenience of fluorescent signal monitoring in homogeneous solution. The LOD of the sensor was found to be ～1.6×10^?10 M after 3 h of incubation. An equation that allows estimation of the lowest theoretical LOD using characteristics of parent deoxyribozymes and their fluorogenic substrates was derived and experimentally verified. According to the equation, “catalytically perfect” enzymes can serve as scaffolds for the design of sensors with the LOD not lower than ～2×10^?15 M after 3 h of incubation. A new value termed the detection efficiency (DE) is suggested as a time‐independent characteristic of a sensor's sensitivity. The expressions for the theoretical LOD and DE can be used to evaluate nucleic acid and protein enzymes for their application as biosensing platforms.     

Characterization of Ni-Coated WS2 Nanotubes for Hydrodesulfurization Catalysis

A reactivity screening of new nano-hydrodesulfurization (HDS) catalysts was conducted using an ambient pressure flow reactor as well as ultra-high vacuum kinetics techniques. Thiophene was used as a probe molecule. Clean multiwall WS₂ nanotubes (INT-WS₂) as well as Ni- and Co-coated INT-WS₂ were considered. In addition, undoped MoS₂ and Re-doped nanoparticles with fullerene-like structures were studied. Commercial Ni and Co HDS catalysts from Haldor Topsoe (Denmark) as well as “nano MoS₂” from Impex Corp. (USA) were considered as reference materials. The lab-synthesized and commercial systems broke down thiophene into quite similar non-sulfur containing products, as identified by a gas chromatograph. The Ni and Co promoted catalysts showed similar thiophene conversion rates. Although the commercial catalysts had larger thiophene conversion rates than the laboratory-synthesized systems, the Re-doped nano-HDS catalyst showed quite low rates of formation of H₂S, an undesirable by-product.     

Strain mapping of a triple junction in nanocrystalline Pd

Aberration-corrected transmission electron microscopy was used to provide structural information on a triple junction in nanocrystalline Pd. This triple junction consists of two intersecting Σ3 twin boundaries with a Σ9 grain boundary and is connected to a quadruple point via the Σ9 grain boundary. A comprehensive strain analysis of this triple junction using geometric phase analysis is presented and compared with a molecular dynamics simulation. The main results are: (i) the strain field of the core of the triple junction shows dislocation character and extends over a distance of about 0.5 nm; (ii) the intersecting boundaries result in a net translation of , which corresponds to a Burgers vector of an dislocation in the fcc lattice; (iii) a disclination emerging from the triple junction along the Σ9 grain boundary is balanced by a disclination of opposite sign emerging from the quadruple point. Based on the observation that the core of the triple junction can be described by the strain field of a dislocation, its energy was estimated using to be about 1.7 × 10⁻⁹ J m⁻¹. The presence of a disclination dipole is thought to be essential for stabilization of the structure observed.     

Sustainability of electricity supply technology portfolio

This paper outlines the approach to the evaluation of sustainability of current and future electricity supply options of interest for a major Swiss utility Axpo Holding AG. The motivation behind this effort has been to provide a solid basis for a state-of-the-art interdisciplinary assessment and use this framework within a dialog with a wide spectrum of stakeholders. The development and implementation of the methodology was coordinated by Axpo in co-operation with the Paul Scherrer Institut (PSI) and other scientific institutions.     

Generalist Genes and Learning Disabilities.

The authors reviewed recent quantitative genetic research on learning disabilities that led to the conclusion that genetic diagnoses differ from traditional diagnoses in that the effects of relevant genes are largely general rather than specific. This research suggests that most genes associated with common learning disabilities--language impairment, reading disability, and mathematics disability--are generalists in 3 ways. First, genes that affect common learning disabilities are largely the same genes responsible for normal variation in learning abilities. Second, genes that affect any aspect of a learning disability affect other aspects of the disability. Third, genes that affect one learning disability are also likely to affect other learning disabilities. These quantitative genetic findings have far-reaching implications for molecular genetics and neuroscience as well as psychology. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

A new method for the detection of microorganisms in blood cultures: Part I. Theoretical analysis and simulation of blood culture processes

The physical and chemical changes occurring in blood as a consequence of microbial activity can be used as quantitative indicators of the presence of microorganisms in blood cultures. This paper reports on the theoretical analysis and computer simulation of the changes in the physical and chemical properties of blood expected as a result of the presence of microorganisms and explores the possibilities of spectrophotometric systems for the early detection of pathogens. It is concluded that multi‐wavelength reflectance methods are suitable and that the approach reported herein can lead to considerable simplifications and cost reduction of blood culture systems.     

Starch-Coated Magnetic Iron Oxide Nanoparticles for Affinity Purification of Recombinant Proteins

Starch-coated magnetic iron oxide nanoparticles have been synthesized by a simple, fast, and cost-effective co-precipitation method with cornstarch as a stabilizing agent. The structural and magnetic characteristics of the synthesized material have been studied by transmission electron microscopy, Mössbauer spectroscopy, and vibrating sample magnetometry. The nature of bonds between ferrihydrite nanoparticles and a starch shell has been examined by Fourier transform infrared spectroscopy. The data on the magnetic response of the prepared composite particles have been obtained by magnetic measurements. The determined magnetic characteristics make the synthesized material a good candidate for use in magnetic separation. Starch-coated magnetic iron oxide nanoparticles have been tested as an affinity sorbent for one-step purification of several recombinant proteins (cardiac troponin I, survivin, and melanoma inhibitory activity protein) bearing the maltose-binding protein as an auxiliary fragment. It has been shown that, due to the highly specific binding of this fragment to the starch shell, the target fusion protein is selectively immobilized on magnetic nanoparticles and eluted with the maltose solution. The excellent efficiency of column-free purification, high binding capacity of the sorbent (100–500 µg of a recombinant protein per milligram of starch-coated magnetic iron oxide nanoparticles), and reusability of the obtained material have been demonstrated.