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Dietary magnesium depletion affects metabolic responses during submaximal exercise in postmenopausal women.

Magnesium is an essential mineral that is required for optimal biological function including energy metabolism. Although national nutritional surveys indicate that usual magnesium intakes do not meet recommendations, particularly among older women, diet-induced magnesium depletion is considered rare among humans without concurrent illness. We examined the effects of dietary magnesium restriction on biochemical measures of magnesium nutriture and physiologic responses during submaximal exercise in 10 postmenopausal women, 45-71 y old, not receiving hormone replacement therapy. The women consumed diets containing conventional foods with varying magnesium content totaling 112 mg/8.4 MJ (2000 kcal) supplemented with 200 mg magnesium daily for 35d (control), then 112 mg/8.4 MJ for 93d (depletion) followed by 112 mg/8.4 MJ supplemented with 200 mg magnesium/d for 49d (repletion) in a depletion-repletion experiment. RBC magnesium concentration (P < 0.05), magnesium retention (P < 0.05) and skeletal muscle magnesium concentration (P < 0.05) decreased when dietary magnesium was restricted. Peak oxygen uptake, total and cumulative net oxygen uptake determined by using indirect calorimetry and peak heart rate increased (P < 0.05) during standardized submaximal work with restricted compared with adequate dietary magnesium. These findings indicate that dietary magnesium depletion can be induced in otherwise healthy women; it results in increased energy needs and adversely affects cardiovascular function during submaximal work. This may also explain previous observations of increased energy cost during standardized exercise in physically active men and women considered to have reduced magnesium nutriture.

Adult↗

Diurnal changes in chlorophyll a fluorescence, CO(2)-exchange and organic acid decarboxylation in the tropical CAM tree Clusia hilariana.

Crassulacean acid metabolism (CAM) plants are dependent on the organic acids that accumulate overnight in the vacuoles as a source of CO(2) during the daylight deacidification period, when stomata are closed and high irradiances generally prevail. We performed an integrative analysis of diurnal changes in gas exchange, chlorophyll fluorescence parameters and organic acid decarboxylation to understand the adjustments in photochemical and non-photochemical processes during the different CAM phases in Clusia hilariana Schlecht., a dominant tree species in the sandy coastal plains of southeastern Brazil. A linear relationship was obtained between the quantum yields of photochemical and non-photochemical quenching, irrespective of the CAM phase and prevailing irradiance. Degradation of malic and citric acids during the midday stomatal closure period could lead to potential CO(2) fixation rates of 23 &mgr;mol m(-2) s(-1), whereas CO(2) losses, measured as CO(2) evolution, corresponded to about 3% of this value. Thus, decarboxylation of malate and citrate provided high internal CO(2) concentrations during phase III of CAM, even though the stomata were closed, allowing optimal utilization of light energy, as indicated by the non-saturating electron transport rates (ETR) in the light response curves, with highest rates of ETR occurring at midday in the diurnal curves. At the transition from phase III to IV of CAM, depletion of internal CO(2) sources and low stomatal conductances, which restricted the supply of exogenous CO(2), reduced the demand for photochemical energy to drive carbon assimilation. This was compensated by increases in thermal energy dissipation as indicated by higher rates of non-photochemical quenching, while high irradiances still prevailed. Shifts in the CAM phases and changes in protective thermal dissipation potential allowed C. hilariana to match changes in PPFD patterns for leaves of different orientations. Evidence that most of the decline in photochemical efficiency was probably related to the fast-relaxing component of non-photochemical quenching is provided by the high values of the quantum yield of photosystem II after 20 min of relaxation in darkness, and an almost complete recovery after sunset. These adjustments in photosynthetic machinery minimized the danger of photo-inhibition in C. hilariana, which is commonly found in fully exposed habitats.

Journal Article↗

Considerations for imaging Re-188 and Re-186 isotopes.

Re-186 and Re-188 have been suggested for radioimmunotherapy because of their energetic beta particles, imageable gamma photons, and chemical properties similar to technetium. Because of this potential, these isotopes were evaluated before in vivo imaging was attempted. It was found that low-abundance, high-energy gamma photons present in these rhenium isotopes require a medium-energy collimator to yield optimal image resolution and count rate, which are critical factors in the performance of preliminary imaging studies on patients for antibody imaging and therapy.

Humans↗

Optimization-based models of muscle coordination.

Optimization-based models may provide reasonably accurate estimates of activation and force patterns of individual muscles in selected well-learned tasks with submaximal efforts. Such optimization criteria as minimum energy expenditure, minimum muscle fatigue, and minimum sense of effort seem most promising.

Biomechanical Phenomena↗

Amino acid and protein therapy in chronic renal failure.

Malnutrition and protein wasting are common features of chronically uremic patients, whether on conservative or dialysis treatment. Optimization of protein-energy intake is difficult because of anorexia, catabolic factors (acidosis, insulin resistance, cytokines, etc.) and intercurrent infections. The use of growth hormone may improve the efficiency of dietary protein utilization. Evidence suggests a small but appreciable effect of very low protein diets on progression of renal insufficiency.

Amino Acids↗

Quantum Monte Carlo method using phase-free random walks with slater determinants.

We develop a quantum Monte Carlo method for many fermions using random walks in the space of Slater determinants. An approximate approach is formulated with a trial wave function |Psi(T)> to control the phase problem. Using a plane-wave basis and nonlocal pseudopotentials, we apply the method to Be, Si, and P atoms and dimers, and to bulk Si supercells. Single-determinant wave functions from density functional theory calculations were used as |Psi(T)> with no additional optimization. The calculated binding energies of dimers and cohesive energy of bulk Si are in excellent agreement with experiments and are comparable to the best existing theoretical results.

Journal Article↗

Viral self-assembly as a thermodynamic process.

The protein shells, or capsids, of nearly all spherelike viruses adopt icosahedral symmetry. In the present Letter, we propose a statistical thermodynamic model for viral self-assembly. We find that icosahedral symmetry is not expected for viral capsids constructed from structurally identical protein subunits and that this symmetry requires (at least) two internal "switching" configurations of the protein. Our results indicate that icosahedral symmetry is not a generic consequence of free energy minimization but requires optimization of internal structural parameters of the capsid proteins.

Capsid↗

Relativistic and QED corrections for the beryllium atom.

Complete relativistic and quantum electrodynamics corrections of order alpha(2) Ry and alpha(3) Ry are calculated for the ground state of the beryllium atom and its positive ion. A basis set of correlated Gaussian functions is used, with exponents optimized against nonrelativistic binding energies. The results for Bethe logarithms ln(k(0)(Be)=5.750 34(3) and ln(k(0)(Be+)=5.751 67(3) demonstrate the availability of high precision theoretical predictions for energy levels of the beryllium atom and light ions. Our recommended value of the ionization potential 75 192.514(80) cm(-1) agrees with equally accurate available experimental values.

Journal Article↗

General formalism for phase combination and phase refinement: a statistical thermodynamics approach in reciprocal space.

The mean-field optimization methodology has been used to recast in a single formalism the problem of phase optimization using an arbitrary energy function in the presence of an experimentally determined phase probability distribution function. It results naturally in the generalization of the notions of figure of merit and centroid phase where the weight of the energy refinement is controlled by an effective temperature in a self-consistent manner. In the limit of high temperature, the formalism reduces of course to the Blow & Crick [Acta Cryst. (1959), 12, 794-802] classical treatment. If a model is available, Sim's [Acta Cryst. (1960), 13, 511-512] weighting scheme for a combined map appears as the first step of a refinement to be conducted until self-consistency is achieved. Assuming that MIR phases exist and that they agree reasonably well with the phases of the model, a first-order expansion gives an estimate of the changes of weights and phases to be performed for the Fourier synthesis. This provides for a new way of doing phase combination that might prove useful in challenging cases of model refinement, e.g. in large macromolecular complexes. Thermodynamic considerations have been used to discuss the best determination of weights in phase refinement; they also suggest that a variational expression of maximum likelihood is best suited as a target for refinement because it is the free energy of the system. The formalism readily allows use of solvent flattening, density averaging and the atomicity criterion to refine phases, and automatically assigns a figure of merit to each reflection. Numerical tests of the method are presented in an attempt to resolve the phase-ambiguity problem of protein crystallography in the centrosymmetric P¿1¿ space group using an energy derived from the Sayre equation.

Biopolymers↗

Quantitative investigations of supported metal catalysts by ASAXS.

Limits and potentiality of anomalous small-angle X-ray scattering for the investigation of supported metal catalysts are discussed. The different sources of statistical errors are illustrated using two catalysts containing metals with absorption edges at very different energies (Au and Pd). Optimized experimental conditions and measuring strategy are proposed, and data-evaluation methods for obtaining quantitative reliable results are suggested. By this method, Au content as low as 0.2 wt% and Pd content of 3 wt% could be investigated with success. The detection limits for palladium are higher, mainly due to its smaller electronic contrast.

Journal Article↗

Quantitative coronary angiography with deformable spline models.

Although current edge-following schemes can be very efficient in determining coronary boundaries, they may fail when the feature to be followed is disconnected (and the scheme is unable to bridge the discontinuity) or branch points exist where the best path to follow is indeterminate. In this paper, we present new deformable spline algorithms for determining vessel boundaries, and enhancing their centerline features. A bank of even and odd S-Gabor filter pairs of different orientations are convolved with vascular images in order to create an external snake energy field. Each filter pair will give maximum response to the segment of vessel having the same orientation as the filters. The resulting responses across filters of different orientations are combined to create an external energy field for snake optimization. Vessels are represented by B-Spline snakes, and are optimized on filter outputs with dynamic programming. The points of minimal constriction and the percent-diameter stenosis are determined from a computed vessel centerline. The system has been statistically validated using fixed stenosis and flexible-tube phantoms. It has also been validated on 20 coronary lesions with two independent operators, and has been tested for interoperator and intraoperator variability and reproducibility. The system has been found to be specially robust in complex images involving vessel branchings and incomplete contrast filling.

Algorithms↗

On combining support vector machines and simulated annealing in stereovision matching.

This paper outlines a method for solving the stereovision matching problem using edge segments as the primitives. In stereovision matching, the following constraints are commonly used: epipolar, similarity, smoothness, ordering, and uniqueness. We propose a new strategy in which such constraints are sequentially combined. The goal is to achieve high performance in terms of correct matches by combining several strategies. The contributions of this paper are reflected in the development of a similarity measure through a support vector machines classification approach; the transformation of the smoothness, ordering and epipolar constraints into the form of an energy function, through an optimization simulated annealing approach, whose minimum value corresponds to a good matching solution and by introducing specific conditions to overcome the violation of the smoothness and ordering constraints. The performance of the proposed method is illustrated by comparative analysis against some recent global matching methods.

Algorithms↗

Percutaneous electrocatheter technique for on-line detection of healed transmural myocardial infarction.

Healed myocardial infarction has been recognized by its particular tissue electrical impedance spectrum measured with intramural needle electrodes in animal models. The aim of this study was to develop a percutaneous approach for in vivo recognition of areas of healed myocardial infarction by measuring myocardial electrical impedance with an intracavitary contact electrocatheter. Electrical impedance (resistance and phase angle) of normal myocardium and of a 2-month-old anterior transmural infarction were measured in nine chloralose anesthetized pigs by applying alternating currents from 1 kHz to 1 MHZ between a bipolar intracavitary catheter and a reference electrode placed on the epicardium (group I, n = 4) or on the precordium (group II, n = 5). Resistance of the infarcted myocardium was lower than that of healthy tissue at all current frequencies (ANOVA, P < 0.001) (i.e., at 1 kHz: 15 +/- 4 omega vs 50 +/- 19 omega in group I, and 64 +/- 13 omega vs 76 +/- 13 omega in group II). Phase angle at 316 kHz best differentiated transmural infarction from normal tissue (group I: -2.5 +/- 1.9 degrees vs -14.8 +/- 4.6 degrees, P < 0.001; group II: +0.7 +/- 1.0 degrees vs -2.7 +/- 1.4 degrees, P < 0.001). This study shows that analysis of myocardial impedance spectrum using a percutaneous intracavitary contact catheter approach permits on-line recognition of areas of healed transmural myocardial infarction. This technique may be useful to optimize clinical application of energy sources (i.e., radiofrequency ablation, laser myocardial revascularization).

Analysis of Variance↗

Experimentally tractable, pseudo-elastic constitutive law for biomembranes: I. Theory.

Although visco-elastic in general, the stress-strain relation of biomembranes is one-to-one or pseudo-elastic when being loaded after preconditioning. This pseudo-elastic relation is hypoelastic (i.e., it is not hyperelastic), yet much of the stress response can be characterized by a scalar function omega that represents the work done (per unit reference volume) on the specimen during loading. (Since a pseudo-strain-energy function W is optimized to fit the test data and not the work done, omega is not equal to W in general.) The remaining part tR of the stress response does no work during loading. With biaxial testing, omega can be definitively determined from data. Moreover, for tests with the stretch directions coaxial to the axes of anisotropy, tR can be accurately characterized by a scalar function omega that depends on the strain. This paper is part 1 of 2 with "I. Theory" and "II. Application."

Animals↗

Localized damage in vertebral bone is most detrimental in regions of high strain energy density.

It was hypothesized that damage to bone tissue would be most detrimental to the structural integrity of the vertebral body if it occurred in regions with high strain energy density, and not necessarily in regions of high or low trabecular bone apparent density, or in a particular anatomic location. The reduction in stiffness due to localized damage was computed in 16 finite element models of 10-mm-thick human vertebral sections. Statistical analyses were performed to determine which characteristic at the damage location--strain energy density, apparent density, or anatomic location--best predicted the corresponding stiffness reduction. There was a strong positive correlation between regional strain energy density and structural stiffness reduction in all 16 vertebral sections for damage in the trabecular centrum (p < 0.05, r2 = 0.43-0.93). By contrast, regional apparent density showed a significant negative correlation to stiffness reduction in only four of the sixteen bones (p < 0.05, r2 = 0.47-0.58). While damage in different anatomic locations did lead to different reductions in stiffness (p < 0.0001, ANOVA), no single location was consistently the most critical location for damage. Thus, knowledge of the characteristics of bone that determine strain energy density distributions can provide an understanding of how damage reduces whole bone mechanical properties. A patient-specific finite element model displaying a map of strain energy density can help optimize surgical planning and reinforcement of bone in individuals with high fracture risk.

Adult↗

Implications of 3-dimensional target shape and motion in aperture design.

To determine the shape of a radiation beam aperture a margin is typically applied to the clinical target volume (CTV) to yield the planning target volume (PTV), and the aperture is then determined from the projection of the PTV onto the aperture plane. This margin accounts for setup variability and organ motion originating from respiration or other physiologic processes. The use of either a uniform margin, or alternatively one which takes into account only the expected magnitude and direction of target motion, fails to account for the three-dimensional nature of the target; such a method neglects the volumetric effect of target shape on the fractional target volume irradiated when the target shifts partially out of the aperture. A mathematical framework is developed to analyze and illustrate the consequences of irradiating an irregular target shape in the presence of target motion. The effect of target shape on volume coverage is demonstrated for selected cases involving conventional BEV aperture design techniques. The volumetric implications of target shape are considered from two complementary points of view. The first involves transformation into a "displacement space," which isolates the volumetric effect of the shape of the target allowing it to be studied independently of the probability distribution of target motion. The second point of view combines the effects of the 3D target shape and the probability distribution of motion in a manner independent of beam direction to yield a 3D "target distribution." The two points of view represent distinct starting points for computation of the expected value of fractional target volume coverage in the presence of target motion. In certain cases it may be beneficial to (1) employ "target distributions" for the target and normal tissues in place of the conventional static PTV and, (2) include the aperture shape, on equal footing with parameters such as beam weights and energies, into a quantitative optimization process explicitly accounting for uncertainties in the position of the target volume and critical structures.

Equipment Design↗

Using coherent pulse width and edge modulations in artificial neural systems.

This paper describes an existing silicon implementation of an artificial neural system based on coherent pulse width and edge modulation techniques. A chip set with different neural functions has been conceived, manufactured and tested. Neural circuits have been optimized for lowest computation energy and highest reconfigurability. The main device is a 32 x 32 synaptic array consuming 10 mW of power at 140 MCPS. Synapsis size is about 7.200 microns 2 using a standard 1.5 microns CMOS technology. The problem of interfacing robotic sensors and actuators is addressed: voltage, current and resistance-based sensors are considered for the measurement of physical quantities such as temperature, pressure, strain, etc. Low resolution imaging sensors for robotic vision are also considered.

Analog-Digital Conversion↗

RAPTOR: optimal protein threading by linear programming.

This paper presents a novel linear programming approach to do protein 3-dimensional (3D) structure prediction via threading. Based on the contact map graph of the protein 3D structure template, the protein threading problem is formulated as a large scale integer programming (IP) problem. The IP formulation is then relaxed to a linear programming (LP) problem, and then solved by the canonical branch-and-bound method. The final solution is globally optimal with respect to energy functions. In particular, our energy function includes pairwise interaction preferences and allowing variable gaps which are two key factors in making the protein threading problem NP-hard. A surprising result is that, most of the time, the relaxed linear programs generate integral solutions directly. Our algorithm has been implemented as a software package RAPTOR-RApid Protein Threading by Operation Research technique. Large scale benchmark test for fold recognition shows that RAPTOR significantly outperforms other programs at the fold similarity level. The CAFASP3 evaluation, a blind and public test by the protein structure prediction community, ranks RAPTOR as top 1, among individual prediction servers, in terms of the recognition capability and alignment accuracy for Fold Recognition (FR) family targets. RAPTOR also performs very well in recognizing the hard Homology Modeling (HM) targets. RAPTOR was implemented at the University of Waterloo and it can be accessed at http://www.cs.uwaterloo.ca/~j3xu/RAPTOR_form.htm.

Algorithms↗