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Effects of denture teeth on the dimensional accuracy of acrylic resin denture bases.

The Michigan Computer-Graphics Coordinate Measurement System was used to determine the effects of artificial denture teeth on the accuracy of acrylic resin denture bases. Two poly(methyl methacrylate) acrylic resins and two processing techniques were tested. Groups processed with denture teeth reproduced more accurate points than groups processed without denture teeth. Groups processed with a conventional heat-polymerized acrylic resin reproduced more accurate points than groups polymerized with an injection pressing type of acrylic resin.

Acrylic Resins↗

Biometrics, biomathematics and the morphometric synthesis.

At the core of contemporary morphometrics--the quantitative study of biological shape variation--is a synthesis of two originally divergent methodological styles. One contributory tradition is the multivariate analysis of covariance matrices originally developed as biometrics and now dominant across a broad expanse of applied statistics. This approach, couched solely in the linear geometry of covariance structures, ignores biomathematical aspects of the original measurements. The other tributary emphasizes the direct visualization of changes in biological form. However, making objective the biological meaning of the features seen in those diagrams was always problematical; also, the representation of variation, as distinct from pairwise difference, proved infeasible. To combine these two variants of biomathematical modeling into a valid praxis for quantitative studies of biological shape was a goal earnestly sought though most of this century. That goal was finally achieved in the 1980s when techniques from mathematical statistics, multivariate biometrics, non-Euclidean geometry and computer graphics were combined in a coherent new system of tools for the complete regionalized quantitative analysis of landmark points together with the biomedical images in which they are seen. In this morphometric synthesis, correspondence of landmarks (biologically labeled geometric points, like "bridge of the nose") across specimens is taken as a biomathematical primitive. The shapes of configurations of landmarks are defined as equivalence classes with respect to the Euclidean similarity group and then represented as single points in David Kendall's shape space, a Riemannian manifold with Procrustes distance as metric. All conventional multivariate strategies carry over to the study of shape variation and covariation when shapes are interpreted in the tangent space to the shape manifold at an average shape. For biomathematical interpretation of such analyses, one needs a basis for the tangent space compatible with the reality of local biotheoretical processes and explanations at many different geometric scales, and one needs graphics for visualizing average shape differences and other statistical contrasts there. Both of these needs are managed by the thin-plate spline, a deformation function that has an unusually helpful linear algebra. The spline also links the biometrics of landmarks to deformation analysis of the images from which the landmarks originally arose. This article reviews the history and principal tools of this synthesis in their biomathematical and biometrical context and demonstrates their usefulness in a study of focal neuroanatomical anomalies in schizophrenia.

Anatomy↗

Enamel abrasion from ceramic orthodontic brackets under an artificial oral environment.

The purpose of this investigation was to examine the potential enamel abrasion on contact with stainless steel and various ceramic orthodontic brackets under a simulated oral environment. Three groups of eight lower premolar ceramic brackets and one group of eight stainless steel brackets were used from four different manufacturers. An upper premolar was brought in contact with the bracket bonded to a lower premolar tooth and subjected to a lateral excursion type of movement by the artificial oral environment. A constant load of approximately 2 lb was used for the masticatory force. The rate of chewing was 1 cycle/sec. The teeth were subjected to 15, 60, and 100 masticatory cycles. The before-and-after occlusal surfaces of the upper premolars were compared by means of a computerized profiling system and the enamel volume loss was calculated. Qualitative changes, such as rate of enamel wear, were examined visually by means of computer graphics and the scanning electron microscope. Abrasion scores (mean +/- SD) in mm3 were 0.015 +/- 0.01 from the metal brackets and 0.135 +/- 0.103, 0.255 +/- 0.242, and 0.581 +/- 0.524 from the three ceramic bracket groups. The abrasion scores were significantly different at p less than 0.05. Ceramic brackets caused significantly greater enamel abrasion than stainless steel brackets. Artificial mouth in vitro testing gave a good indication of clinical performance of orthodontic brackets.

Aluminum↗

Self-perceived attractiveness influences human female preferences for sexual dimorphism and symmetry in male faces.

Exaggerated sexual dimorphism and symmetry in human faces have both been linked to potential 'good-gene' benefits and have also been found to influence the attractiveness of male faces. The current study explores how female self-rated attractiveness influences male face preference in females using faces manipulated with computer graphics. The study demonstrates that there is a relatively increased preference for masculinity and an increased preference for symmetry for women who regard themselves as attractive. This finding may reflect a condition-dependent mating strategy analogous to behaviours found in other species. The absence of a preference for proposed markers of good genes may be adaptive in women of low mate value to avoid the costs of decreased parental investment from the owners of such characteristics.

Adolescent↗

Visualization of an AAF induced frameshift mutation: molecular views of base displacement in B-DNA from minimized potential energy calculations.

Energy minimized structures of base displacement in an AAF modified B-DNA dodecamer are presented. A rational search strategy, beginning with a global search of the conformation space of the modified deoxydinucleoside monophosphate, together with model building by computer graphics, has been employed. A number of different minimum energy conformations have been located which reveal base displaced structures. These show fluorene interstrand stacking, fluorene inter- and intrastrand stacking, and non-stacked fluorene situated in the denatured bulge. The local helix axis is bent to various extents in the different forms, and one or two base pairs are fully denatured. One structure of special interest offers a molecular view that suggests how AAF can induce the -2 deletion mutation observed in AAF modified E. coli.

2-Acetylaminofluorene↗

Towards an identification of the pyrethroid pharmacophore. A molecular modelling study of some pyrethroid esters.

A molecular modelling and computer graphics study of a series of pyrethroid insecticides has been carried out. The three-dimensional arrangement of the groups essential for the biological activity (pharmacophore) has been identified for the acid and the alcohol moieties, respectively. These pharmacophores are based on the relationship between molecular structure and biological activity for a number of pyrethroid esters. The pharmacophores, which describe the relative location in space of the unsaturated systems, the dimethyl groups and the ester moiety, may be useful in the design of novel compounds with pyrethroid activity.

Binding Sites↗

The colors seen behind transparent filters.

How do the colors and lightnesses of surfaces seen to lie behind a transparent filter depend on the chromatic properties of the filter? A convergence model developed in prior work (D'Zmura et al, 1997 Perception 26 471-492; Chen and D'Zmura, 1998 Perception 27 595-608) suggests that the visual system interprets a filter's transformation of color in terms of a convergence in color space. Such a convergence is described by a color shift and a change in contrast. We tested the model using an asymmetric matching task. Observers adjusted, in computer graphic simulation, the color of a surface seen behind a transparent filter in order to match the color of a surface seen in plain view. The convergence model fits the color-matching results nearly as well as a more general affine-transformation model, even though the latter has many more parameters. Other models, including von Kries scaling, did not perform as well. These results suggest that the color constancy revealed in this task is described best by a model that takes into account both color shifts and changes in contrast.

Color Perception↗

Extrinsic cues aid shape recognition from novel viewpoints.

It has been shown previously that the visual recognition of shape is susceptible to the mismatch between the retinal input and its representation in long-term memory, especially when this mismatch arises from rotations in depth. One possibility is that the visual recognition system deals with such mismatch by a transformation of the input or the representation thereby bringing both into alignment for comparison. In either case, knowing what transformation has taken place should facilitate recognition. In natural circumstances, objects do not disappear and appear in different orientations inexplicably and an observer usually knows what to expect according to the context. This context includes the environment, and the history of the observers' movements, which specify the transient relationship between the object, the environment and the observer. We used interactive computer graphics to study the effects of providing observers with either implicit or explicit indications of their view transformations in the recognition of a class of shape found previously to be highly view-dependent. Results show that these cues aid recognition to varying degrees but mostly for oblique views and primarily in terms of accuracy not response times. These results provide evidence for egocentric encoding of shape and suggest that knowing ones' transformation in view helps to reduce the problem space involved in matching a shape percept with a mental representation.

Adolescent↗

A receptor model for tumor promoters: rational superposition of teleocidins and phorbol esters.

Four 12-O-tetradecanoyl-13-O-acetylphorbol-type tumor promoters--teleocidin, phorbol ester, aplysiatoxin, and ingenol ester--are superposed in an attempt to understand their common biological activity on the assumption that they may bind to the same receptor site. A method using three-dimensional computer graphics was applied for superposing molecules and receptor mapping. The main feature of the method is that molecules are superposed in terms of spatial arrangement of physical and chemical properties but not in terms of the atomic positions as in conventional methods. This led to successful extraction of common structural features required for potent tumor-promoting activity: two hydrogen donors, a hydrogen acceptor, and a large lipophilic group. Their mutual spatial arrangements are most important for biological activity.

Caenorhabditis elegans Proteins↗

Selectivity of the parietal visual neurones in 3D orientation of surface of stereoscopic stimuli.

We identified a group of neurones in the posterior parietal cortex of the monkey that responded preferentially to a flat stimulus in a particular orientation on a 3D computer graphics display. We designated these neurones surface-orientation selective (SOS) neurones since they showed tuning to the 3D orientation of the surface. Almost all of the SOS neurones were sensitive to binocular disparity and their responses increased with the width or length of the stimulus, but the responses of only some of them decreased with increasing thickness of the stimulus. These results suggest that SOS neurones extract surface orientation signals from the binocular disparity signals and play an important role in the perception of 3D shape and the visual guidance of hand movement.

Animals↗

The object technology framework: an object-oriented interface to molecular data and its application to collagen.

We describe the Object Technology Framework (OTF) software system developed at the University of California, San Francisco Computer Graphics Laboratory for creating C+2 classes that facilitate rapid biomolecular application development and the application of the OTF to collagen modeling. C+2 class libraries for accessing and manipulating data from standard scientific data sources can be generated using the program genlib and its class library toolkit Molecule, thereby facilitating development of new applications. Use of the OTF for generating ideal collagen structural models (gencollagen) is described. The source code for the OTF is freely available at http:/(/)www.cgl.ucsf.edu/off/ to interested application developers.

Collagen↗

Protein modeling of human prorenin using the molecular dynamics method.

To study the activation-inactivation mechanism of the renin zymogen, prorenin, a tertiary structural model of human prorenin was constructed using computer graphics and molecular dynamics calculations, based on the pepsinogen structure. This prorenin model shows that the folded prosegment polypeptide can fit into the substrate binding cleft of the renin moiety. The three positively charged residues, Arg10, Arg15, and Arg20, in the prosegment make salt bridges with Asp225, Glu331, and Asp60, respectively, in renin. Arg43, which is in the processing site, forms salt bridges with the catalytic residues of Asp81 and Asp269. These ionic interactions between the prosegment and the renin may contribute to keeping the prorenin structure as an inactive form.

Amino Acid Sequence↗

Selective alteration of substrate specificity by replacement of aspartic acid-189 with lysine in the binding pocket of trypsin.

To test the role of Asp-189 which is located at the base of the substrate binding pocket in determining the specificity of trypsin toward basic substrates, this residue was replaced with a lysine residue by site-directed mutagenesis. Both rat trypsinogen and Lys-189 trypsinogen were expressed and secreted into the periplasmic space of Escherichia coli. The proteins were purified to homogeneity and activated by porcine enterokinase, and their catalytic activities were determined on natural and synthetic substrates. Lys-189 trypsin displayed no catalytic activity toward arginyl and lysyl substrates. Further, there was no compensatory change in specificity toward acidic substrates; no cleavage of aspartyl or glutamyl bonds was detected. Additional studies of substrate specificity involving gas-phase sequence analyses of digested natural substrates revealed an inherent but low chymotrypsin-like activity of trypsin. This activity was retained but modified by the Asp to Lys change at position 189. In addition to hydrolyzing phenylalanyl and tyrosyl peptide bonds, the mutant enzyme has the unique property of cleaving leucyl bonds. On the basis of computer graphic modeling studies of the Lys-189 side chain, it appears that the positively charged NH2 group is directed outside the substrate binding pocket. The resulting hydrophobic cavity may explain the altered substrate specificity of the mutant enzyme. The relatively low chymotrypsin-like activity of both recombinant enzymes may be due to distorted positioning of the scissile bond with respect to the catalytic triad rather than to the lack of sufficient interaction between the hydrophobic side chains and the substrate binding pocket of the enzyme.

Amino Acid Sequence↗

Some observations on the replacement of the conserved amino acid residues of immunoglobulin domains.

1. Computer graphics have been used to model replacements of conserved residues in immunoglobulin domains. 2. Replacements, even those involving large changes in side chain volume, could be accommodated in the domain but rotation and repacking of surrounding side chains was generally necessary. 3. Repacking often resulted in increases in inter-atomic distances between side chains and loss of some van der Waals' contacts. This would be expected to make the domain slightly less stable. 4. Losses in domain stability might not have a serious affect on antigen binding but could result in circulating antibody becoming more susceptible to biological degradation with considerable reduction in biological half-life.

Alanine↗

[New strategies in the search for drugs].

The development of selective, reliable and safe drugs turns out to be a very expensive and time consuming task. Supported by computer graphics, structural chemistry provides tools for the understanding of the drug-receptor interaction on a molecular level. As a prerequisite for these investigations, the structures of both the biochemical receptor and the drug must be experimentally determined or numerically simulated. Subsequently, the three dimensional geometry of the drug molecule can be modified to enable an optimal fit together with a high selectivity for the binding to the active site of the target receptor. Even without knowledge of the structure of the receptor, a particular class of compounds can be optimized by a systematic comparison of drug molecules which allows the elucidation of the pharmacophore pattern relevant to a certain action.

Chemical Phenomena↗

Morphology and development of the human vocal tract: a study using magnetic resonance imaging.

Magnetic resonance imaging was used to quantify the vocal tract morphology of 129 normal humans, aged 2-25 years. Morphometric data, including midsagittal vocal tract length, shape, and proportions, were collected using computer graphic techniques. There was a significant positive correlation between vocal tract length and body size (either height or weight). The data also reveal clear differences in male and female vocal tract morphology, including changes in overall vocal tract length and the relative proportions of the oral and pharyngeal cavity. These sex differences are not evident in children, but arise at puberty, suggesting that they are part of the vocal remodeling process that occurs during puberty in males. These findings have implications for speech recognition, speech forensics, and the evolution of the human speech production system, and provide a normative standard for future studies of human vocal tract morphology and development.

Adolescent↗

Direct measurement of dimensional accuracy with three denture-processing techniques.

The Michigan Computer-Graphics Coordinate Measurement System (MCGCMS) was used to determine the dimensional accuracy of dentures processed by three different techniques: conventional heat compression, microwave, and visible-light activation. Standardized dentures were fabricated from casts made in an RTV silicone mold. All casts were duplicated with hydrocolloid and 42 dentures were made (ie, 14 dentures for each technique). The MCGCMS measured 22 points on two frontal planes to compare master casts to dentures. The results showed no significant difference in overall dimensional accuracy. At specific sites, however, the visible-light-activated technique produced significantly more flange distortion than did either the conventional or microwave techniques.

Acrylic Resins↗

A molecular modeling study on binding of drugs to calmodulin.

Computer-graphical methods have been used to study the interaction between a series of drugs and calmodulin. Based on the X-ray crystallographic coordinates of the alpha-C atoms of calmodulin, a molecular model of the helical sequences was built. The model has been used to derive two possible binding sites for phenothiazines and one binding site for penfluridol. The principal binding forces occur through contacts between acidic amino acids of calmodulin and the protonated side-chain nitrogen of the drugs as well as between a basic amino acid and the electronegative substituents of the aromatic rings. Calculated interaction energies show a good correlation with experimental inhibition data.

Amino Acid Sequence↗