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PubMed1998

The slender ideal and eating disorders: an interdisciplinary "telescope" model.

OBJECTIVE: This paper interprets eating disorders (including anorexia and bulimia) as one (nonfunctional) manifestation, in modern environments, of evolved psychological mechanisms which modulate the standard of feminine bodily attractiveness as a response to economic conditions. METHOD: Published evidence from anthropology, sociology, and psychology was used to evaluate predictions that (1) where economic independence is possible, women favor a slender standard and (2) where women lack economic power, marriage tends to be favored and the standard becomes more curvaceous. These patterns were tested by correlating U.S. economic data with changing standards of bodily curvaceousness in Vogue and Playboy. Psychological and biological mechanisms by which the slender standard produces anorexia and bulimia were examined. RESULTS: Published evidence and the empirical data suggest that the standard of bodily curvaceousness is determined by the economics of reproduction. DISCUSSION: These ideas permit integration of the research on eating disorders in several disciplines and suggest many avenues for future enquiry.

Adipose Tissue↗

PubMed1980

A model of myosin crossbridge structure consistent with the low-angle x-ray diffraction pattern of vertebrate muscle.

Low-angle X-ray diffraction patterns have been taken of relaxed frog sartorius muscles stretched to destroy the lattice sampling in the pattern and the observed layer line pattern has been interpreted with model-building studies. The modelling calculations indicate that each crossbridge cannot be represented by a single cylindrical shape, but that the two S-1 heads of the crossbridge are tilted in opposite directions along the filament while twisted the same way round it so that the crossbridge lies wrapped round the filament backbone. The radial position derived for the crossbridge depends on how many strands the filament is assumed to have. If the filament is 2, 3 or 4 stranded then the centre of mass of the crossbridge lies at about 9.5, 12.5, or 15.5 nm respectively from the filament axis.

Actins↗

PubMed2002

Multiobjective optimization in quantitative structure-activity relationships: deriving accurate and interpretable QSARs.

Deriving quantitative structure-activity relationship (QSAR) models that are accurate, reliable, and easily interpretable is a difficult task. In this study, two new methods have been developed that aim to find useful QSAR models that represent an appropriate balance between model accuracy and complexity. Both methods are based on genetic programming (GP). The first method, referred to as genetic QSAR (or GPQSAR), uses a penalty function to control model complexity. GPQSAR is designed to derive a single linear model that represents an appropriate balance between the variance and the number of descriptors selected for the model. The second method, referred to as multiobjective genetic QSAR (MoQSAR), is based on multiobjective GP and represents a new way of thinking of QSAR. Specifically, QSAR is considered as a multiobjective optimization problem that comprises a number of competitive objectives. Typical objectives include model fitting, the total number of terms, and the occurrence of nonlinear terms. MoQSAR results in a family of equivalent QSAR models where each QSAR represents a different tradeoff in the objectives. A practical consideration often overlooked in QSAR studies is the need for the model to promote an understanding of the biochemical response under investigation. To accomplish this, chemically intuitive descriptors are needed but do not always give rise to statistically robust models. This problem is addressed by the addition of a further objective, called chemical desirability, that aims to reward models that consist of descriptors that are easily interpretable by chemists. GPQSAR and MoQSAR have been tested on various data sets including the Selwood data set and two different solubility data sets. The study demonstrates that the MoQSAR method is able to find models that are at least as good as models derived using standard statistical approaches and also yields models that allow a medicinal chemist to trade statistical robustness for chemical interpretability.

Algorithms↗

PubMed2005

QMQSAR: utilization of a semiempirical probe potential in a field-based QSAR method.

A semiempirical quantum mechanical approach is described for the creation of molecular field-based QSAR models from a set of aligned ligand structures. Each ligand is characterized by a set of probe interaction energy (PIE) values computed at various grid points located near the surface of the ligand. Single-point PM3 calculations afford these PIE values, which represents a pool of independent variables from which multilinear regression models of activity are built. The best n-variable fit is determined by constructing an initial regression using standard forward stepwise selection, followed by refinement using a simulated annealing technique. The resulting fit provides an easily interpreted 3D physical model of ligand binding affinity. Validation against three literature datasets demonstrates the ability of the semiempirical potential to model critical binding interactions in diverse systems.

Binding Sites↗

PubMed2007

A dual-process integrator-resonator model of the electrically stimulated human auditory nerve.

A phenomenological dual-process model of the electrically stimulated human auditory nerve is presented and compared to threshold and loudness data from cochlear implant users. The auditory nerve is modeled as two parallel processes derived from linearized equations of conductance-based models. The first process is an integrator, which dominates stimulation for short-phase duration biphasic pulses and high-frequency sinusoidal stimuli. It has a relatively short time constant (0.094 ms) arising from the passive properties of the membrane. The second process is a resonator, which induces nonmonotonic functions of threshold vs frequency with minima around 80 Hz. The ion channel responsible for this trend has a relatively large relaxation time constant of about 1 ms. Membrane noise is modeled as a Gaussian noise, and loudness sensation is assumed to relate to the probability of firing of a neuron during a 20-ms rectangular window. Experimental psychophysical results obtained in seven previously published studies can be interpreted with this model. The model also provides a physiologically based account of the nonmonotonic threshold vs frequency functions observed in biphasic and sinusoidal stimulation, the large threshold decrease obtained with biphasic pulses having a relatively long inter-phase gap and the effects of asymmetric pulses.

Auditory Threshold↗

PubMed1991

Computer modeling 16 S ribosomal RNA.

A three-dimensional structure for 16 S RNA has been produced with a computer protocol that is not dependent on human intervention. This protocol improves upon traditional modeling techniques by using distance geometry to fold the molecule in an objective and reproducible fashion. The method is based on the secondary structure of RNA and treats the molecule as a set of double-stranded helices that are linked by flexible single-strands of variable length. Data derived from chemical cross-linking studies of 16 S RNA and tertiary phylogenetic relationships provide the constraints used to fold the molecule into a compact three-dimensional form. Possibly subjective evaluation of the input data are transformed into verifiable quantitative parameters. Relationships based on general locations within the 30 S subunit or on protein-RNA interactions have been specifically excluded. The resolution of the model exceeds that of electron micrographs and approaches that obtained in preliminary X-ray crystal structures. The model size of 245 x 190 x 140 A is compatible with that of the 30 S subunit as determined by electron microscopy. The volume of the model is 1.87 x 10(6) A which is similar to that of the small subunit in a preliminary X-ray crystal structure. The radius of gyration of the model structure of 76 A is intermediate to that seen for partially denatured and fully folded 16 S RNA. Computer graphics are used to display the results in a manner that maximizes the opportunities for human visual interpretation of the models. A format for displaying the structures has been developed that will make it possible for researchers who have not devoted themselves to ribosomal modeling to comprehend and make use of the information that the models embody. On this basis the computer-generated models are compared with models developed by other researchers and with structural data not included in the folding parameter data set.

Base Sequence↗

PubMed2002

Model-based biological Raman spectral imaging.

Raman spectral imaging is a powerful tool for determining chemical information in a biological specimen. The challenge is to condense the large amount of spectral information into an easily visualized form with high information content. Researchers have applied a range of techniques, from peak-height ratios to sophisticated models, to produce interpretable Raman images. The purpose of this article is to review some of the more common imaging approaches, in particular principal components analysis, multivariate curve resolution, and Euclidean distance, as well as to present a new technique, morphological modeling. How to best extract meaningful chemical information using each imaging approach will be discussed and examples of images produced with each will be shown.

Algorithms↗

PubMed2001

Characterization of Macroscopic Structural Disorder in Porous Media Using Mercury Porosimetry.

A new structural model for the interpretation of mercury porosimetry data for samples having a bimodal pore size distribution is presented. The morphology of the macropore network of a porous solid has been studied using a combination of mercury porosimetry and NMR techniques. The model consists of a lattice-based network of pore bodies and pore necks. The model enables assessment of the spatial geometric distribution of the directly accessible macropore network of a porous material having a bimodal pore size distribution. A methodology that can be used to determine the spatial distribution of the critical pore neck diameters controlling access to the macroporous void space has also been described. This method was used to provide a map of the local critical macropore neck distribution over macroscopic length scales for an alumina tablet that is not possible with other techniques. Copyright 2001 Academic Press.

Journal Article↗

PubMed2004

A mathematical analysis for the cardiovascular control adaptations in chronic renal failure.

A model of baroreflex control of blood pressure (BP) is proposed in terms of a delay differential equation and this is used to predict the adaptation of short-term cardiovascular control in chronic renal failure (CRF) patients. Cardiac pump dynamics are explored by means of plots of blood flow vs. mean BP. The parameters of the model were determined from available data and from a sensitivity analysis. The model predicts stable and unstable equilibria close to the steady BP. It is shown that the unstable equilibrium point generates a quasiperiodic solution with two main harmonics for healthy subjects. We also show that the parameters for CRF patients predict solutions whose spectra exhibit a small high frequency component. This is due to the coalescence of the equilibrium points. The heart rate variability (HRV) time series and power spectra from healthy volunteers and CRF patients were compared with the model predictions. As an adequate measure of the sympathovagal balance we use the LF/HF index obtained from the power spectrum. The model allows the interpretation of the variability of the LF/HF index in terms of a specific set of cardiovascular parameters which are known to change from healthy to CRF patients. Comparisons of the changes in the LF/HF index predicted by the model are in agreement with actual observations for both the healthy and the CRF patients. These results show that the cardiac pump has a more restricted response in CRF patients. The model quantifies the cardiovascular adaptations to the CRF condition in terms of increased peripheral resistance and baroreflex delay and decreased arterial compliance, cardiac period, and stroke volume.

Adaptation, Physiological↗

PubMedDate not supplied

Comparison of the experimental BOLD signal change in event-related fMRI with the balloon model.

Event-related functional MRI (ER-fMRI) based on both blood oxygenation level-dependent (BOLD) contrast and cerebral blood flow (CBF) contrast has been developed to study the human brain response to transient stimulation. A balloon model has been developed and used in understanding the relationship between changes in CBF and in the BOLD signal in block-designed fMRI. In this report, the balloon model was used to interpret experimental event-related fMRI. Using experimental data acquired from CBF-based ER-fMRI as an input function in the balloon model, simulated BOLD signal changes were obtained. The simulated time course of the BOLD signal changes was directly compared with the experimentally acquired data. A chi-square (chi(2)) test showed excellent correlation between the simulated and experimental data (alpha <or= 0.05). Our results have demonstrated that the balloon model is useful in interpreting the transient features of the experimental data from the ER-fMRI studies.

Cerebrovascular Circulation↗

PubMed1994

A synthesis of the Otis, Mead, and Mount mechanical respiratory models.

We propose a unified approach of the viscoelastic models introduced by Otis, Mead and Mount to describe the mechanical behaviour of the respiratory system. A single equation of motion is developed for these two-compartment models and solved in response to typical pressure and volume inputs. The analytic expression of the pressure response to rapid airway occlusion following constant flow inflation, and of the volume response to single breath following end-inspiratory pause are more particularly analysed. The lumped respiratory parameters derived from these responses are expressed as functions of the parameters characterising the constitutive mechanical elements of each model. Different combinations of respiratory models and of methods for measuring respiratory mechanics are examined. For each model, the physiological interpretation of the lumped mechanical parameters is summarised in terms of gas redistribution or tissue viscoelastic properties.

Humans↗

PubMed1995

Hydration structure of a collagen peptide.

BACKGROUND: The collagen triple helix is a unique protein motif defined by the supercoiling of three polypeptide chains in a polyproline II conformation. It is a major domain of all collagen proteins and is also reported to exist in proteins with host defense function and in several membrane proteins. The triple-helical domain has distinctive properties. Collagen requires a high proportion of the post-translationally modified imino acid 4-hydroxyproline and water to stabilize its conformation and assembly. The crystal structure of a collagen-like peptide determined to 1.85 Angstrum showed that these two features may be related. RESULTS: A detailed analysis of the hydration structure of the collagen-like peptide is presented. The water molecules around the carbonyl and hydroxyprolyl groups show distinctive geometries. There are repetitive patterns of water bridges that link oxygen atoms within a single peptide chain, between different chains and between different triple helices. Overall, the water molecules are organized in a semi-clathrate-like structure that surrounds and interconnects triple helices in the crystal lattice. Hydroxyprolyl groups play a crucial role in the assembly. CONCLUSIONS: The roles of hydroxyproline and hydration are strongly interrelated in the structure of the collagen triple helix. The specific, repetitive water bridges observed in this structure buttress the triple-helical conformation. The extensively ordered hydration structure offers a good model for the interpretation of the experimental results on collagen stability and assembly.

Alanine↗

PubMed2004

Modelling the propagation of terahertz radiation through a tissue simulating phantom.

Terahertz (THz) frequency radiation, 0.1 THz to 20 THz, is being investigated for biomedical imaging applications following the introduction of pulsed THz sources that produce picosecond pulses and function at room temperature. Owing to the broadband nature of the radiation, spectral and temporal information is available from radiation that has interacted with a sample; this information is exploited in the development of biomedical imaging tools and sensors. In this work, models to aid interpretation of broadband THz spectra were developed and evaluated. THz radiation lies on the boundary between regions best considered using a deterministic electromagnetic approach and those better analysed using a stochastic approach incorporating quantum mechanical effects, so two computational models to simulate the propagation of THz radiation in an absorbing medium were compared. The first was a thin film analysis and the second a stochastic Monte Carlo model. The Cole-Cole model was used to predict the variation with frequency of the physical properties of the sample and scattering was neglected. The two models were compared with measurements from a highly absorbing water-based phantom. The Monte Carlo model gave a prediction closer to experiment over 0.1 to 3 THz. Knowledge of the frequency-dependent physical properties, including the scattering characteristics, of the absorbing media is necessary. The thin film model is computationally simple to implement but is restricted by the geometry of the sample it can describe. The Monte Carlo framework, despite being initially more complex, provides greater flexibility to investigate more complicated sample geometries.

Diagnostic Imaging↗

PubMed1999

Distraction of attention and the slope of the psychometric function.

The influential uncertainty model [J. Opt. Soc. Am. A 2, 1508 (1985)] attributes nonlinear contrast sensitivity near threshold to the inability of the observer to discriminate between the signal from stimulated locations and the noise from nonstimulated locations. We introduce an alternative interpretation, the distraction model, to describe the behavior of an observer who knows exactly which location was stimulated but may miss the test stimulus because attention has been distracted by irrelevant (noise) signals. For any stimulus sample, the observer is assumed to be certain of whether this sample is relevant or irrelevant to the stimulus. The non-linear effects predicted by the distraction model without uncertainty are similar to those predicted by the uncertainty model.

Attention↗

PubMed2006

The proximity structure of achromatic surface colors and the impossibility of asymmetric lightness matching.

In asymmetric lightness matching tasks, observers sometimes report that they cannot achieve satisfactory matches between achromatic surfaces under different neutral illuminants. The surfaces appear different, yet no further adjustment of either surface improves the match. There are evident difficulties in interpreting data from a task that the observer cannot always do, and these difficulties likely affect the interpretation of a large number of previous studies. We investigated, as an alternative to asymmetric matching, the direct use of proximity judgments in the study of surface lightness perception. We asked observers to rate the perceived dissimilarity of pairs of achromatic surfaces that were placed in identical scenes and viewed under different neutral illuminants. We develop a parametric model that accurately predicts perceived dissimilarity in terms of physical light intensities and surface albedos. The parameters of this model are readily interpretable. In particular, the ratio of the influence of changes in illuminant intensity and changes in surface albedo is a measure of the extent to which the observer discounts the illuminant. Asymmetric lightness matching can be interpreted as an unachievable limiting case of proximity judgment.

Color Perception↗

PubMed2006

Model based study on monitoring ketone bodies to improve safety in intensive insulin therapy.

AIM: The present study explores new signals (capillary 3betahydroxybutyrate - 3betaOHB) for improving the safety of a closed loop insulin infusion system (external wearable artificial pancreas). METHODS: Data collected during a clinical trial on diabetic subjects including a period of insulin deprivation were interpreted through mathematical models to simulate the effect of monitoring ketone bodies (capillary 3betaOHB, KB) compared to blood glucose in subjects on Continuous Subcutaneous Insulin Infusion (CSII) treatment. RESULTS: The estimation of model coefficients satisfactorily fits experimental data. The evaluation of dynamic changes of capillary 3betaOHB levels showed a more rapid response than blood glucose. CONCLUSIONS: The effect of the combination of monitoring of glucose and ketone bodies can consistently improve the safety and efficacy of the use of a closed loop system for glycemic control in dangerous situations like ketoacidosis. If a subcutaneous glucose-ketone bodies sensor were to become available in the near future it would be a key component of an external artificial pancreas.

3-Hydroxybutyric Acid↗

PubMed1994

Use of a Gouy-Chapman-Stern Model for Membrane-Surface Electrical Potential to Interpret Some Features of Mineral Rhizotoxicity.

A consideration of mineral toxicity to roots only in terms of ion activities in the rooting medium can be misleading. A Gouy-Chapman-Stern model, by which relative ion activities at cell-membrane surfaces may be estimated, has been applied to problems of mineral rhizotoxicity, including the toxicity of Al3+, La3+, H+, Na+, and SeO42-, to wheat (Triticum aestivum L.) roots. The Gouy-Chapman portion of the model is expressed in the Grahame equation, which relates the charge density ([sigma]) and electrical potential (E0) at the surface of a membrane to the concentrations of ions in a contracting bulk solution. The Stern modification of the theory takes into account changes in [sigma] caused by ion binding at the membrane surface. Several theoretical problems with the model and its use are considered, including the fact that previous authors have usually related the physiological effects of an ion at a membrane surface to the computed concentration (Ci0) of the unbound ion rather than its computed activity (ai0). This practice implies the false assumption that Ci0 is proportional to ai0. It is demonstrated here that ai0, computed from external activities (ai[infinity symbol]) by a Nernst equation [ai0 = ai[infinity symbol]exp([mdash]ZiFE0/RT), where Zi is the charge on the ion, F is the Faraday constant, R is the gas constant, and T is the temperature], correlates well with ion toxicity and that Ci0 sometimes correlates poorly. These conclusions also apply to issues of mineral nutrition.

Journal Article↗

PubMed1991

Efficiency of different criteria for selecting pharmacokinetic multiexponential equations.

Several statistical and empirical approaches have been proposed to select the multiexponential equation that best describes the time course of the plasma concentration of a drug. Recently, a new criterion (Ip) has been proposed according to which the model that best interprets a set of experimental data points is the one with the smallest area between the approximate confidence limits of estimated plasma concentration. We used large Montecarlo simulations to compare the ability of different selection criteria to select the correct model from data generated with an independent, normally distributed random error. The new criterion (Ip), Akaike's information criterion, the Schwartz test, and the F ratio test were studied. In this situation, the correct model was known and the performances of different selecting methods were assessed by examining their sensitivity to the number of exponential terms, the number of data points, and the size of the exponents in the true model. Mono-, bi-, and triexponential equations were studied. Overall mean percentages of right identification were 98.1 per cent for the new index, 82.8 per cent for Akaike's information criterion, 89.5 per cent for the Schwartz test, and 97.7 per cent for the F ratio test. The Akaike and Schwartz tests were not as efficient as the other tests with few (8-10) data points. The Ip and the F test raise the percentages of right identification of the model when the hybrid elimination rate macroconstants differ by at least a factor of four.(ABSTRACT TRUNCATED AT 250 WORDS)

Humans↗