X-ray and NMR studies on the rotational isomerism about the C(5)-C(6) bond of 6-substituted methyl 2,3,4,-tri-O-acetyl-6-X-α-D-glucopyranoside derivatives

The rotamers about the C(5)–C(6) bond of a series of 2,3,4-tri-O-acetyl-6-X--D-glucopyranozide derivatives resulting by substitution at C(6) or O(6) have been studies with¹H-NMR spectroscopy (400 MHz) and X-ray structure analysis. The methyl 2,3,4-tri-O-acetyl-6-O-triphenylmethyl--D-glucopyranoside and the N-(I-O-methyl-2,3,4-tri-O-acetyl--D-glucopyranose-6-yl)-pyridinium nitrate crystallize in the P2₁ space group with =14.940(1),b=11.232(1),c=9.0773(7), and =94.480(7) anda=7.670(1),b=15.384(3),c=9.624(1) and =104.90(1), respectively; the methyl 2,3,4-tri-O-acetyl-6-O-nitro--D-glucopyranoside and methyl 2,3,4-tri-O-acetyl-6-O-deoxy-6-iodo--D-glucopyrano-side crystallize in the P2₁2₁2₁ space group witha=5.630(1),b=14.360(1) andc=22.388(3), anda=5.556(1),b=14.303(6) andc=21.963(6), respectively.     

Kinetic discrimination of sequence-specific DNA-drug binding measured by surface plasmon resonance imaging and comparison to solution-phase measurements

We demonstrate the use of surface plasmon resonance (SPR) imaging for direct detection of small-molecule binding to surface-bound DNA probes. Using a carefully designed array surface, we quantitatively discriminate between the interactions of a model drug with different immobilized DNA binding sites. Specifically, we measure the association and dissociation intercalation rates of actinomycin-D (ACTD) to and from double-stranded 5'-TGCT-3' and 5'-GGCA-3' binding sites. The rates measured provide mechanistic information about the DNA-ACTD interaction; ACTD initially binds nonspecifically to DNA but exerts its activity by dissociating slowly from strong affinity sites. We observe a slow dissociation time of kd-1 = 3300 +/- 100 s for ACTD bound to the strong affinity site 5'-TGCT-3' and a much faster dissociation time (210 +/- 15 s) for ACTD bound weakly to the site 5'-GGCA-3'. These dissociation rates, which differ by an order of magnitude, determine the binding affinity for each site (8.8 x 10(6) and 1.0 x 10(6) M(-1), respectively). We assess the effect the surface environment has on these biosensor measurements by determining kinetic and thermodynamic constants for the same DNA-ACTD interactions in solution. The surface suppresses binding affinities approximately 4-fold for both binding sites. This suppression suggests a barrier to DNA-drug association; ACTD binding to duplex DNA is approximately 100 times slower on the surface than in solution.     

Pattern recognition system for the discrimination of multiple sclerosis from cerebral microangiopathy lesions based on texture analysis of magnetic resonance images

In this study, a pattern recognition system has been developed for the discrimination of multiple sclerosis (MS) from cerebral microangiopathy (CM) lesions based on computer-assisted texture analysis of magnetic resonance images. Twenty-three textural features were calculated from MS and CM regions of interest, delineated by experienced radiologists on fluid attenuated inversion recovery images and obtained from 11 patients diagnosed with clinically definite MS and from 18 patients diagnosed with clinically definite CM. The probabilistic neural network classifier was used to construct the proposed pattern recognition system and the generalization of the system to unseen data was evaluated using an external cross validation process. According to the findings of the present study, statistically significant differences exist in the values of the textural features between CM and MS: MS regions were darker, of higher contrast, less homogeneous and rougher as compared to CM.     

Enhancing the discrimination accuracy between metastases, gliomas and meningiomas on brain MRI by volumetric textural features and ensemble pattern recognition methods

Three-dimensional (3D) texture analysis of volumetric brain magnetic resonance (MR) images has been identified as an important indicator for discriminating among different brain pathologies. The purpose of this study was to evaluate the efficiency of 3D textural features using a pattern recognition system in the task of discriminating benign, malignant and metastatic brain tissues on T1 postcontrast MR imaging (MRI) series. The dataset consisted of 67 brain MRI series obtained from patients with verified and untreated intracranial tumors. The pattern recognition system was designed as an ensemble classification scheme employing a support vector machine classifier, specially modified in order to integrate the least squares features transformation logic in its kernel function. The latter, in conjunction with using 3D textural features, enabled boosting up the performance of the system in discriminating metastatic, malignant and benign brain tumors with 77.14%, 89.19% and 93.33% accuracy, respectively. The method was evaluated using an external cross-validation process; thus, results might be considered indicative of the generalization performance of the system to "unseen" cases. The proposed system might be used as an assisting tool for brain tumor characterization on volumetric MRI series.     

THz and above THz electron or hole oscillations in DNA dimers and trimers

A non conventional source or receiver of THz and above THz electromagnetic radiation is proposed. Specifically, electron or hole oscillations in DNA dimers (two interacting DNA base‐pairs or monomers) are predicted, with frequency in the range 0.25–100 THz (period 10–4000 fs) i.e. potentially absorbing or emitting electromagnetic radiation mainly in the mid‐ and far‐infrared with wavelengths ≈ 3–1200 μm. The efficiency of charge transfer between the two monomers which make up the dimer is described with the maximum transfer percentage p  and the pure maximum transfer rate . For dimers made of identical monomers , but for dimers made of different monomers . The investigation is extended to DNA trimers (three interacting DNA base‐pairs or monomers). For trimers made of identical monomers the carrier oscillates periodically with 0.5–33 THz ( 30–2000 fs); for 0 times crosswise purines , for 1 or 2 times crosswise purines . For trimers made of different monomers the carrier movement may be non periodic. Generally, increasing the number of monomers above three, the system becomes more complex and periodicity is lost; even for the simplest tetramer the carrier movement is not periodic.     

Problems of the Flamant–Boussinesq and Kelvin Type in Dipolar Gradient Elasticity

This work studies the response of bodies governed by dipolar gradient elasticity to concentrated loads. Two-dimensional configurations in the form of either a half-space (Flamant–Boussinesq type problem) or a full-space (Kelvin type problem) are treated and the concentrated loads are taken as line forces. Our main concern is to determine possible deviations from the predictions of plane-strain/plane-stress classical linear elastostatics when a more refined theory is employed to attack the problems. Of special importance is the behavior of the new solutions near to the point of application of the loads where pathological singularities and discontinuities exist in the classical solutions. The use of the theory of gradient elasticity is intended here to model material microstructure and incorporate size effects into stress analysis in a manner that the classical theory cannot afford. A simple but yet rigorous version of the generalized elasticity theories of Toupin (Arch. Ration. Mech. Anal. 11:385–414, 1962) and Mindlin (Arch. Ration. Mech. Anal. 16:51–78, 1964) is employed that involves an isotropic linear response and only one material constant (the so-called gradient coefficient) additional to the standard Lamé constants (Georgiadis et al., J. Elast. 74:17–45, 2004). This theory, which can be viewed as a first-step extension of the classical elasticity theory, assumes a strain-energy density function, which besides its dependence upon the standard strain terms, depends also on strain gradients. The solution method is based on integral transforms and is exact. The present results show departure from the ones of the classical elasticity solutions (Flamant–Boussinesq and Kelvin plane-strain solutions). Indeed, continuous and bounded displacements are predicted at the points of application of the loads. Such a behavior of the displacement fields is, of course, more natural than the singular behavior present in the classical solutions.      

Synchronized EPI phase contrast velocimetry in a mixing reactor

Notwithstanding its widespread use in cardiovascular and functional MRI studies, Echo Planar Imaging (EPI) has only recently been subjected to systematic validation studies. Most velocity measurement studies employing such ultrafast MRI methods involve the use of phantoms characterized by rigid or deformable solid motion. The current implementation involves a rotating phantom (angular velocity up to 10.5 rpm) with a superimposed swirling liquid flow (with axial velocities ranging between 0.145 and 0.27 cm/s) of water doped with copper sulfate. The standard implementation of single-shot EPI with phase contrast velocity encoding allows the complete mapping of the Eulerian velocity field in slices perpendicular to the rotation axis following a subtractive procedure requiring the synchronized acquisition of each velocity component on each selected transverse slice during two revolutions of the rotor. The image acquisition time is 100 ms (per velocity component) at each 64 x 64 slice. In addition to acquiring full-field velocity data for future direct comparisons with other techniques, EPI is employed here for the first time to reconstruct the three-dimensional flow field between the blades of a partitioned pipe mixer.     

On the Relation Between the Finite and the Infinite Population Models for a Class of RAA's

We examine the relation between the finite and the infinite population models for a class of random access algorithms. The algorithms in the class are a combination of random access and reservation techniques, they are synchronous, and they are studied under the condition that each of the users can monitor the channel feedback continuously (full feedback sensing). For any finite number of independent and identical users in the system, and any i.i.d. arrival process per user, the algorithms are stable, provided that the total input rate is less than one. However, as the population size increases, the stability of an algorithm in the class is determined by its throughput in the presence of the infinite population model for all practical purposes.