Neutron diffraction study of magnetic properties of TmCo2

The present neutron diffraction studies have confirmed that TmCo₂ represents an exception within the RCo₂ series. It was found that, in contrast with other heavy RCo₂ compounds, the Co sublattice in TmCo₂ does not order magnetically below the Curie temperature (T_c = 3.9 K). This is assumed to be due the fact that in TmCo₂ the intersublattice (f-d) molecular field is smaller than the critical field necessary to induce magnetic order within the Co sublattice, as is the case in other RCo₂ compounds. Furthermore, we show that the magnetic structure and the onset of long-range order in TmCo₂ depend sensitively on the sample preparation, which partly explains the differing results published earlier.     

Noncatalytic hydrophosphorylation and hydrothiophosphorylation of hydroxyaldehydes

Nucleophilic addition of secondary phosphone oxides and phosphine sulfides to 2-hydroxyacet-, 2-hydroxybenz-, and 3,4-dihydroxybenzaldehydes proceeds under mild conditions (48–50°C, THF) and allows tertiary phosphine oxides and phosphine sulfides with several hydroxyl groups to be prepared.     

Some Transformations of 3-(2,2-Dimethyltetrahydro-2H-pyran-4-yl-2-thioxo-2,3-dihydro-1H-spiro(benzo[h]quinazoline-5,1'-cycloheptan)-4(6H)-one

Russian Journal of Organic Chemistry - Starting from 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-thioxo-2,3-dihydro-1H-spiro(benzo[h]quinazoline-5,1'-cycloheptan)-4(6H)-one, a series of...     

Magnetic resonance in a [{Cr(CN)<Subscript>6</Subscript>} {Mn(S)-<Emphasis Type="Italic">pn</Emphasis>H-(H<Subscript>2</Subscript>O)}] · H<Subscript>2</Subscript>O single-crystal molecular ferrimagnet

The variations in the magnetic resonance spectra accompanying the transition from the paramagnetic to ferrimagnetic state in [{Cr(CN)₆} {Mn(S)-pnH-(H₂O) }] · H₂O orthorhombic chiral molecular crystals were studied. The dependence of the EPR linewidth on temperature in the proximity of the transition point T_C = 38 K argues for the two-dimensional character of spin ordering. The spin resonance line was found to undergo exchange narrowing at T > T_C. The ferrimagnetic phase has an easy magnetization axis coinciding with the a crystallographic axis.     

Temperature-induced itinerant electron metamagnetism in intermetallic RCo<Subscript>3</Subscript> compounds

The phenomenon of temperature-induced itinerant electron metamagnetism in a zero external field is of the same nature as the widely investigated metamagnetic transitions induced by magnetic fields (external or internal). Recently, temperature-induced itinerant metamagnetism was discovered in the rareearth intermetallic RCo₃ compounds. Systematic investigations of the RCo₃ series made it possible to determine many specific features of this new phenomenon and to formulate criteria to reveal such transitions in other magnetic materials as well. This paper presents a brief review of the existing works and original results on temperature-induced itinerant-electron metamagnetism in substituted RCo₃ compounds.     

Comparison of two types of vertically aligned ZnO NRs for highly efficient polymer solar cells

Vertically aligned ZnO nanorods (NR) are prepared by two different syntheses methods and applied on polymer solar cells (PSCs). The ZnO electrodes work as the electron transport layer with the P3HT:PCBM blend acting as the active material. Several organic blend solution conditions are optimized: concentration, solvent, and deposition speed. The effect of different NR electrode morphologies is analyzed on the solar cell performance and characterized by current–voltage curves and IPCE analyses. The photovoltaic performance of the solar cells was observed to be influenced by many factors, among them infiltration of the organic P3HT:PCBM blend within the ZnO NR layer. The infiltration of the active layer was monitored by cross section SEM and energy dispersive X-ray spectroscopy analyses. Our results show that higher power conversion efficiencies are achieved when shorter NRs lengths are applied. The best power conversion efficiency obtained was 2.0% for a 400 nm ZnO NR electrode. © 2012 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2013     

Probability distribution analysis of single-molecule fluorescence anisotropy and resonance energy transfer

Analysis of anisotropy in single-molecule fluorescence experiments using the probability distribution analysis (PDA) method is presented. The theory of anisotropy-PDA is an extension of the PDA theory recently developed for the analysis of F?rster resonance energy transfer (FRET) signals [Antonik, M.; et al. J. Phys. Chem. B 2006, 110, 6970]. The PDA method predicts the shape of anisotropy histograms for any given expected ensemble anisotropy, signal intensity distribution, and background. Further improvements of the PDA theory allow one to work with very low photon numbers, i.e., starting from the level of background signal. Analysis of experimental and simulated data shows that PDA has the major advantage to unambiguously distinguish between shot noise broadening and broadening caused by heterogeneities in the sample. Fitting of experimental histograms yields anisotropy values of individual species, which can be directly compared with those measured in ensemble experiments. Excellent agreement between the ensemble data and the results of PDA demonstrates a good absolute accuracy of the PDA method. The precision in determination of mean values depends mainly on the total number of photons, whereas the ability of PDA to detect the presence of heterogeneities strongly depends on the time window length. In its present form PDA can be also applied to computed fluorescence parameters such as FRET efficiency and scatter-corrected fluorescence anisotropy. Extension of the PDA theory to low photon numbers makes it possible to apply PDA to dynamic systems, for which high time resolution is required. In this way PDA is developed as a sensitive tool to detect biomolecular heterogeneities in space and time.     

Disjunctivity and Alternativity in Projection Logics

We study the notions of disjunctivity and alternativity of orthomodular posets inthe context of orthoprojections or skew projections in C ^*-algebras.     

BROMOC-D: Brownian Dynamics/Monte-Carlo Program Suite to Study Ion and DNA Permeation in Nanopores

A theoretical framework is presented to model ion and DNA translocation across a nanopore confinement under an applied electric field. A combined Grand Canonical Monte Carlo Brownian Dynamics (GCMC/BD) algorithm offers a general approach to study ion permeation through wide molecular pores with a direct account of ion-ion and ion-DNA correlations. This work extends previously developed theory by incorporating the recently developed coarse-grain polymer model of DNA by de Pablo and colleagues [Knotts, T. A.; Rathore, N.; Schwartz, D. C.; de Pablo, J. J. J. Chem. Phys. 2007, 126] with explicit ions for simulations of polymer dynamics. Atomistic MD simulations were used to guide model developments. The power of the developed scheme is illustrated with studies of single-stranded DNA (ss-DNA) oligomer translocation in two model cases: a cylindrical pore with a varying radius and a well-studied experimental system, the staphylococcal α-hemolysin channel. The developed model shows good agreement with experimental data for model studies of two homopolymers: ss-poly(dA)(n) and ss-poly(dC)(n). The developed protocol allows for direct evaluation of different factors (charge distribution and pore shape and size) controlling DNA translocation in a variety of nanopores.