Associations between Neurocardiovascular Signal Entropy and Physical Frailty

In this cross-sectional study, the relationship between noninvasively measured neurocardiovascular signal entropy and physical frailty was explored in a sample of community-dwelling older adults from The Irish Longitudinal Study on Ageing (TILDA). The hypothesis under investigation was that dysfunction in the neurovascular and cardiovascular systems, as quantified by short-length signal complexity during a lying-to-stand test (active stand), could provide a marker for frailty. Frailty status (i.e., “non-frail”, “pre-frail”, and “frail”) was based on Fried’s criteria (i.e., exhaustion, unexplained weight loss, weakness, slowness, and low physical activity). Approximate entropy (ApEn) and sample entropy (SampEn) were calculated during resting (lying down), active standing, and recovery phases. There was continuously measured blood pressure/heart rate data from 2645 individuals (53.0% female) and frontal lobe tissue oxygenation data from 2225 participants (52.3% female); both samples had a mean (SD) age of 64.3 (7.7) years. Results revealed statistically significant associations between neurocardiovascular signal entropy and frailty status. Entropy differences between non-frail and pre-frail/frail were greater during resting state compared with standing and recovery phases. Compared with ApEn, SampEn seemed to have better discriminating power between non-frail and pre-frail/frail individuals. The quantification of entropy in short length neurocardiovascular signals could provide a clinically useful marker of the multiple physiological dysregulations that underlie physical frailty.     

Voice Training and Changing Weight—Are They Reflected in Speaking Fundamental Frequency, Voice Range, and Pitch Breaks of 13-Year-Old Girls? A Longitudinal Study

Objective

Assessment of the voice-change progress of 20 girls (12–13 years) over 1 year by observing changes in speaking fundamental frequency (SFo), voice range, and register pitch breaks in the context of weight, height, voice training, and self-perception.

Study Design

One-year longitudinal collective case study.

Method

Twenty girls were recorded at the beginning and end of a year; nine girls were recorded another three times. SFo, vocal range, and characteristics were analyzed and interactions between these data assessed against weight and height to indicate pubertal development, and to test the hypothesis that changes in weight, height, SFo, and pitch breaks were related. Effects of training and the girls' self-perception of their voice use were also assessed.

Results

Vocal characteristics changed as the girls passed through different weight ranges. During 47.5–52.4 kg (called band 2) and 52.4–57.5 kg (band 3), there was progressive contraction of vocal range and in some girls a slight rise in SFo between recording times 1 and 5. Both high- and low-pitch breaks were present in 45% of girls' voices. Girls in band 4 (<57.5 kg) had an increased vocal range, and pitch breaks in vocal-range areas that indicated the development of adult vocal registers. In this study, voice-trained girls were heavier, had higher SFo, used wider speech-range inflection, had a higher vocal range, and greater voice-use confidence; all girls lost confidence in their voice use over the year.

Conclusions

In this longitudinal study of twenty 13-year-old girls, voice changes in SFo, vocal range, and pitch-break frequency were synchronous with certain weight ranges. Girls with training registered higher maximum phonational frequency and were more confident in their voice use than girls without training.     

Measuring the implantation depth of silver clusters in graphite

Scanning tunnelling microscopy (STM) and molecular dynamics (MD) simulations have been used to investigate the implantation of Ag₇ ^- clusters into the graphite surface. An experimental measure of the implantation depth of individual clusters is gained via thermal oxidation of the bombarded graphite surfaces. This process results in etching of the cluster-induced defects to form etch pits which grow laterally whilst retaining the depth of the implanted cluster. STM imaging of the etch pits reveals the distribution of implantation depths for deposition energies of 2 keV and 5 keV. Molecular dynamics simulations for clusters of 5 keV energy show that the implantation depth for Ag₇ ^- is largely independent of the impact site on the graphite surface and the cluster orientation. The implantation depth found by MD lies at the upper edge of the experimental depth distribution. Received 30 November 2000     

Lattice study of dense matter with two colors and four flavors

We present results from a simulation of SU(2) lattice gauge theory with N _f = 4 flavors of Wilson fermion and non-zero quark chemical potential μ, using the same 12³×24 lattice, bare gauge coupling, and pion mass in cut-off units as a previous study (S. Hands, S. Kim, J.I. Skullerud, Phys. Rev. D 81, 091502(R) (2010)) with N _f = 2 . The string tension for N _f = 4 is found to be considerably smaller implying smoother gauge field configurations. Thermodynamic observables and order parameters for superfluidity and color deconfinement are studied, and comparisons drawn between the two theories. Results for quark density and pressure as functions of μ are qualitatively similar for N _f = 2 and N _f = 4 ; in both cases there is evidence for a phase in which baryonic matter is simultaneously degenerate and confined. Results for the stress-energy tensor, however, suggest that while N _f = 2 has a regime where dilute matter is non-relativistic and weakly interacting, N _f = 4 matter is relativistic and strongly interacting for all values of μ above onset.     

A pyrophosphate-responsive gadolinium(III) MRI contrast agent

This study shows that the relaxivity and optical properties of functionalised lanthanide‐DTPA‐bis‐amide complexes (lanthanide=Gd³⁺ and Eu³⁺, DTPA=diethylene triamine pentaacetic acid) can be successfully modulated by addition of specific anions, without direct Ln³⁺/anion coordination. Zinc(II)‐dipicolylamine moieties, which are known to bind strongly to phosphates, were introduced in the amide “arms” of these ligands, and the interaction of the resulting Gd–Zn₂ complexes with a range of anions was screened by using indicator displacement assays (IDAs). Considerable selectivity for polyphosphorylated species (such as pyrophosphate and adenosine‐5′‐triphosphate (ATP)) over a range of other anions (including monophosphorylated anions) was apparent. In addition, we show that pyrophosphate modulates the relaxivity of the gadolinium(III) complex, this modulation being sufficiently large to be observed in imaging experiments. To establish the binding mode of the pyrophosphate and gain insight into the origin of the relaxometric modulation, a series of studies including UV/Vis and emission spectroscopy, luminescence lifetime measurements in H₂O and D₂O, ¹⁷O and ³¹P NMR spectroscopy and nuclear magnetic resonance dispersion (NMRD) studies were carried out.     

Automated molecule editing in molecular design

The ability to modify chemical structures in an automated and controlled manner is useful in molecular design. This Perspective introduces the MUDO molecule editor and shows how automated molecule editing can be used to standardize structures, enumerate tautomeric and ionization states, identify matched molecular pairs. Unlike its predecessor Leatherface, MUDO can also process 3D structures and this capability can be used to link non-covalently docked ligands to proteins.     

Effect of ethylene-co-vinyl acetate-glycidylmethacrylate and cellulose microfibers on the thermal,rheological and biodegradation properties of poly(lactic acid) based systems

The properties and biodegradation behavior of blends of poly(lactic acid) (PLA) and ethylene-vinyl acetate-glycidylmethacrylate copolymer (EVA-GMA), and their composites with cellulose microfibers (CF) were investigated. The blends and composites were obtained by melt mixing and the morphology, phase behavior, thermal and rheological properties of PLA/EVA-GMA blends and PLA/EVA-GMA/CF composite films were investigated as a function of the composition. The disintegrability in composting conditions was examined by means of morphological, thermal and chemical analyses to gain insights into the post-use degradation processes. The results indicated a good compatibility of the two polymers in the blends with copolymer content up to 30 wt.%, while at higher EVA-GMA content a phase separation was observed. In the composites, the presence of EVA-GMA contributes to improve the interfacial adhesion between cellulose fibers and PLA, due to interactions of the epoxy groups of GMA with hydroxyls of CF. The addition of cellulose microfibers in PLA/EVA-GMA system modifies the rheological behavior, since complex viscosity increased in presence of fibers and decreased with an increase in frequency. Disintegration tests showed that the addition of EVA-GMA influence the PLA disintegration process, and after 21 days in composting conditions, blends and composites showed faster degradation rate in comparison with neat PLA due to the different morphologies induced by the presence of EVA-GMA and CF phases able to allow a faster water diffusion and an efficient PLA degradation process.     

Structural features of organic anions: 7-Norbornadienyllithium

The structure of 7-norbornadienyllithium, a homoantiaromatic carbanion, is investigated with the semiempirical MNDO molecular orbital method. Alkene out-of-plane bendings persist even when the metal is fully solvated. The structural integrity of the monomer is retained in the dimer and solvated dimer; previously proposed dimers are inconsistent with lithium bonding and are not minimum energy structures on the MNDO hypersurface.     

A computational model of the nicotinic acetylcholine binding site

We have derived a model of the nicotinic acetylcholine binding site. This was accomplished by using three known agonists (acetylcholine, nicotine and epibatidine) as templates around which polypeptide side chains, found to be part of the receptor cavity from published molecular biology studies, are allowed to flow freely in molecular dynamics simulations and mold themselves around these templates. The resulting supramolecular complex should thus be a complement, both in terms of steric effects as well as electronic effects, to the agonists and it should be a good estimation of the true receptor cavity structure. The shapes of those minireceptor cavities equilibrated rapidly on the simulation time scale and their structural congruence is very high, implying that a satisfactory model of the nicotinic acetylcholine binding site has been achieved. The computational methodology was internally tested against two rigid and specific antagonists (dihydro--erytroidine and erysoidine), that are expected to give rise to a somewhat differently shaped binding site compared to that derived from the agonists. Using these antagonists as templates there were structural reorganizations of the initial receptor cavities leading to distinctly different cavities compared to agonists. This indicates that adequate times and temperatures were used in our computational protocols to achieve equilibrium structures for the agonists. Overall, both minireceptor geometries for agonists and antagonists are similar with the exception of one amino acid (ARG209).