Analysis Computer Assisted

Corey EJ, Long AK, Rubenstein SD. Computer-assisted analysis in organic synthesis. Science 1985 228 408-18. 

Wong, G., Koehler, K.F., Skolnick, P., Gu, Z.-Q., Ananthan, S., Schonholzer, P., Hunkeler, W., Zhang, W., and Cook, J.M. Synthetic and computer-assisted analysis of the structural requirements for selective, high-afhnity ligand binding to diazepam-insensitive benzodiazepine receptors./. Med. Chem. 1993, 36, 1820-1830. 

Two-dimensional electrophoresis [86] is a well established technique for the separation of intact proteins. In the first dimension the proteins are separated based on their isolectric point while the second dimension separates them based on their size. The presence on the gel of the proteins is revealed by Coomassie blue or silver staining. Under favorable conditions several thousand spots can be differentiated. The gel is digitized and computer-assisted analysis of the protein spot is performed. The spots of interest are excised either manually or automatically and then digested with trypsin. Trypsin cleaves proteins at the C-terminal side of lysine and arginine. In general one spot represents one protein and the peptides are analyzed by MALDI-TOF to obtain a peptide mass fingerprint. A peptide mass fingerprint involves the determination of the masses of all pep-... 

Peleg, M. and Normand, M.D. (1982). A computer assisted analysis of some theoretical rate effects in mastication and in deformation testing of food. J. Food Sci. 47, 1572-1578. 

Recent techniques for detailed mapping and elucidation of processes occurring in pyrotechnic flames have incorporated computer assisted analysis. Ref 66 discusses the implementation of computer automated high speed mapping techniques and optical scanning as applied to spectroscopic analysis of transient combustion and pyrot processes. The considerations involved in the further development of exptl hardware and software have also been discussed... 

The reproducibility of PCNA immunostaining analysis can be improved by computer-assisted image analysis (Sallinen et al, 1994). This approach also improves the reproducibility of quantitation among observers. The effect of tumor heterogeneity is minimized through this protocol because large tissue areas can be analyzed. Moreover, compared with visual assessment, computer-assisted analysis is faster. However, even in the computerized... 

Histology may be reported in descriptive terms, evaluated by a semi-quantitative methods, or by computer-assisted histomorphometric methods. This information then can be used for quantitative statistical analysis. For the very specific add-on methods of in situ hybridization and gene expression, a description of the observed changes is generally appropriate together with quantitative data generated by computer-assisted analysis of gene expression profiles. 

Pleissner, K. P., Emig, S., )ungblut, P., Hildebrandt, A., Fleck, E. (1994a). Dilated cardiomyopathy computer-assisted analysis of endomyocardial biopsy protein patterns by two-dimensional gel electrophoresis. Eur. J. Clin. Chem. Clin. Biochem. 32, 615-624. 

Fig. 5. Circular dichroism spectroscopy of peptide (120-189) fused to a 6xHis-tag. The circular dichroism spectrum of 6xHis-rCla h6 (120-189) (protein concentration was 27 piMin salt-free water) was recorded on a Jasco spectropolarimeter (J-810) at 185-260nm. Computer-assisted analysis of the data showed that the peptide is folded with 11% helix, 35% (3-sheet, 27% loop and 26% random structural elements.

Atkinson, Jr., D., Whitworth, J.B. and Gage, S.J., Computer-assisted analysis of gamma-ray spectra. Comput. Phys. Commun., 2 (1971) 40. 

Nevertheless, despite these limitations, it will be evident from the succeeding chapters that great advances have already been made even though most of the research spans only a few decades. Modern techniques and instrumentation such as satellite imagery, scanning electron microscopy. X-ray analysis, electron and ion probes and computer assisted analysis are providing... 

Pelton, A. D. Blander, M. Computer Assisted Analysis of the Thermodynamic Properties and Phase Diagrams of Slags in Proc. Second Int l. Symp. on Metallurgical Slags and Fluxes, Fine, H. A. Gaskell, D. R., eds., TMS-AIME, Warrendale PA, 1984, pps 281-294 Blander, M. Pelton, A. D. Analyses and Predictions of the Thermodynamic Properties of Multicomponent Silicates , t6[Pg.193]

Corey, E. J. 1971. "Computer-Assisted Analysis of Complex Synthetic Problems." Quarterly Reviews, 25 455—482. 

Pathologists have been practicing molecular morphology (the microscopic localization of protein, DNA, and RNA) since the late 1970s. To take the next leap forward, we need to do it right. Reliable and true quantification is a goal that requires a demonstrable level of standardization and reproducibility, and the widespread use of reference standards and computer-assisted analysis of the reaction product. 

The ratio Qpn of the relative amounts of the products p-(62) and n-(62) depends strongly on the reaction conditions.69 Qpn can range from Qpn 1 to Qpn 1. A mathematical model for the mechanism of the Ugi reaction, a complex system of parallel and consecutive reactions, was established by a computer-assisted analysis of Qpn as a function of the concentration of the reactants in methanol at 0 C.2o,m.69 jn a solution of (58M60), or (58) and (61), we have an equilibrium of the species (63M66). The formulas (63M66) describe primarily the stoichiometric composition of the species. The formula (64) represents, for instance, the equilibrium system (64a)-(64c), where (64a) is a tight ion pair, (64b) is a pair of diastereomers and (64c) is a hydrogen-bonded adduct. 

The folded, three-dimensional structure, or conformation, of a protein is vital to its function. To understand the relation between the function of a protein and its form, we need to know both what it does and its detailed structure. The most widely used method for determining the complex structures of proteins, DNA, and RNA is x-ray crystallography. Computer-assisted analysis of the data often permits the location of every atom in a large, complex molecule to be determined. The double-helix structure of DNA, which is key to its role in heredity, was first proposed based on x-ray crystallographic studies. Throughout this book you will encounter numerous examples of protein structures as we zero in on how proteins work. 

Computer-assisted analysis of complex synthetic problems, Q. Rev. 1971, 25, 455 (c) E.J. Corey, A.K. Long, S.D. Rubenstein, Computer-assisted analysis in organic synthesis. Science 1985, 228, 408. 

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