Elastic AlignedSENSE for Dynamic MR Reconstruction: A Proof of Concept in Cardiac Cine

Numerous methods in the extensive literature on magnetic resonance imaging (MRI) reconstruction exploit temporal redundancy to accelerate cardiac cine. Some of them include motion compensation, which involves high computational costs and long runtimes. In this work, we proposed a method—elastic alignedSENSE (EAS)—for the direct reconstruction of a motion-free image plus a set of nonrigid deformations to reconstruct a 2D cardiac sequence. The feasibility of the proposed approach was tested in 2D Cartesian and golden radial multi-coil breath-hold cardiac cine acquisitions. The proposed approach was compared against parallel imaging compressed sense (sPICS) and group-wise motion corrected compressed sense (GWCS) reconstructions. EAS provides better results on objective measures with considerable less runtime when an acceleration factor is higher than 10×. Subjective assessment of an expert, however, invited proposing the combination of EAS and GWCS as a preferable alternative to GWCS or EAS in isolation.     

On Sectional Paths in a Category of Complexes of Fixed Size

We show how to build the Auslander-Reiten quiver of the category C _n (proj Λ) of complexes of size n ≥ 2, for any artin algebra Λ. We also give conditions over the complexes in C _n (proj Λ) under which the composition of irreducible morphisms in sectional paths vanishes.     

Characterization of Phenolics in Lavandula angustifolia

ABSTRACT

The lavender flowers and their essential oil are widely used in therapy in Romania and the European Community. Since the European Pharmacopoeia only allows the use of Lavandula sp flowers for medicinal purposes, the objective of this study was to investigate the chemical composition of Lavandula angustifolia extracts obtained by ultrasound-assisted extraction, rapid pressurized extraction at 6.7?bar, and subcritical fluid extraction. The solvents used for the first two methods were mixtures of water and alcohol, glycerin, and propylene glycol. These extracts were analyzed by high-performance thin-layer chromatography, infrared spectroscopy with attenuated total reflectance, and Raman spectroscopy. The total phenolics were evaluated using a modified Folin–Ciocalteu method. The primary phenolics were chlorogenic acid, gallic acid, umbelliferone, luteolin 7-O-glucoside, vitexin, and isoquercitroside. The extracts were variable in composition, with the highest yield by subcritical fluid extraction, followed by extraction at 6.7?bar. The infrared and Raman spectroscopy results confirmed the chromatography measurements.     

Conjugates between minor groove binders and Zn(II)-tach complexes: Synthesis,characterization, and interaction with plasmid DNA

A new family of conjugates between a Zn(II)-tach complex and (indole)₂ or benzofuran-indole amide minor groove binders connected through alkyl or oxyethyl linkers of different lengths has been prepared. The conjugates bind strongly to DNA. However, the complexation to DNA to promote the Zn(II) catalyzed hydrolytic cleavage of the DNA results instead in its inhibition. This inhibition effect has been confirmed also using Cu(II). Modeling studies suggest that in the most stable complex conformation, the minor groove binder and the linker lie in the minor groove hampering the interaction between the metal complex and the phosphate backbone of DNA. Therefore, the linear arrangement of minor groove binder-linker-metal complex appears to be effective to ensure tight binding but unproductive from a hydrolytic point of view.     

Comparison of HILIC columns for residue analysis of dithiocarbamate fungicides

Selective determination of dithiocarbamate (DTC) fungicides is mainly performed by hydrophilic interaction liquid chromatography (HILIC). According to Crnogorac and Schwack, DTC analyses by HILIC only lead to meaningful results with a zwitterionic polymer-based hydrophilic interaction liquid chromatography (ZIC-pHILIC) column. Considering the limited availability of this special type of column and the importance of DTC residue analysis, several new HILIC columns were evaluated as alternatives to the ZIC-pHILIC column. Detection was carried out by ultraviolet light and by mass spectrometry (MS) on a single quadrupole mass spectrometer coupled to an electrospray ionization interface operating in negative mode. On nearly all tested columns, separation of dimethyldithiocarbamates, ethylenebis(dithiocarbamates), and propylenebis(dithiocarbamates) was achieved with ammonium acetate eluents (pH 6.8). However, due to ion suppression by the buffer and the limited alkaline pH stability, the tested silica-based columns were not suitable for the sensitive analysis of DTCs. The polymer-based iHILIC-Fusion was the only alternative that offered high MS sensitivity, when a buffer containing 15?mM aqueous ammonium hydroxide and 7.5?mM ammonium hydrogen carbonate (pH 9.8) was used, but the separation of the three DTC subclasses was poor. Thus, considering both selectivity and sensitivity, the originally proposed polymer-based ZIC-pHILIC column still outperformed all the tested newly available alternative HILIC columns.     

Alleviation of the Fermion-sign problem by optimization of many-body wave functions

We present a simple, robust, and highly efficient method for optimizing all parameters of many-body wave functions in quantum Monte Carlo calculations, applicable to continuum systems and lattice models. Based on a strong zero-variance principle, diagonalization of the Hamiltonian matrix in the space spanned by the wave function and its derivatives determines the optimal parameters. It systematically reduces the fixed-node error, as demonstrated by the calculation of the binding energy of the small but challenging C(2) molecule to the experimental accuracy of 0.02 eV.     

Supramolecular organization of toluidine blue dye in solid amorphous phases

Toluidine blue (TB) dye molecules are intensively utilized for large-area photophysics applications such as carcinoma detection, photoinactivation of bacteria, biosensors, and photovoltaic cells. Understanding the nature of the TB aggregation state becomes an essential point of the research process in order to know the structure-function relationship and to foresee technological applications of this class of metachromatic-dye molecules. However, no structural information on toluidine blue is available in the literature, maybe because of the poor crystalline character of the aggregate. Here, we present the first structural determination of TB organic molecules using the energy dispersive X-ray diffraction technique. The investigation highlights dimeric arrangements of stacked molecules in antiparallel fashion, forming a superstructure of two dimers in a transverse arrangement. The behavior of the TB higher aggregates indicates that these dye molecules, in spite of repulsion due to similar charge (cationic dyes), undergo self-aggregation to form helical conformations.     

Site-selective depurination by a periodate-dependent deoxyribozyme

A deoxyribozyme is identified that mediates the site-selective depurination of its 5'-terminal guanosine nucleotide using periodate (IO(4)-) as an obligatory cofactor.     

Silver as acrolein hydrogenation catalyst: intricate effects of catalyst nature and reactant partial pressures

The hydrogenation of acrolein over pure and supported silver has been investigated with a focus on the influence of catalyst structure and reaction pressure (mbar to 20 bar range) on activity and selectivity. An onset of formation of allyl alcohol beyond 100 mbar reaction pressure (at 250 degrees C) is ascribed to a change in adsorption geometry upon increasing coverage. Smaller silver particles (in the nanometer range), the proximity of a reducible oxide component as well as high pressure lead to enhanced allyl alcohol formation; the selectivity to the other main product propionaldehyde is reduced. The silver dispersion changed depending on the reaction pressure. Moreover, the presence of oxygen, most likely as subsurface oxygen, and the presence of defects are of paramount importance for the catalytic behaviour. The considerable changes of the silver catalysts under reaction conditions and the pressure dependence call for in situ measurements to establish true structure-activity/selectivity relationships for this system.