Synthese eines Arrays aus 837 Varianten der hYAP-WW-Proteindomäne

Toepert, Florian; Pires, Juliana Rico; Landgraf, Christiane; Oschkinat, Hartmut; Schneider‐Mergener, Jens

doi:10.1002/1521-3757(20010302)113:5<922::aid-ange922>3.0.co;2-k

Cited by 9 publications

(4 citation statements)

References 37 publications

(19 reference statements)

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“…SPOT synthesis of peptides is not restricted only to short peptides. This has been demonstrated by Toepert and co‐workers in the synthesis of a complete substitution analysis of the h YAP WW domain 100. In a similar approach using pseudoproline building blocks, Przezdziak and co‐workers managed to perform a complete substitution analysis of the difficult‐to‐synthesise FBP28 WW domain 55.…”

Section: Advanced Spot Technologymentioning

confidence: 96%

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Optimal delineation of PCG sounds via false‐alarm bounded segmentation of a wavelet‐based principal components analyzed metric

Homaeinezhad

Atyabi

Deneshvar

et al. 2011

Numer Methods Biomed Eng

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SUMMARYThe aim of this study is to describe a new false-alarm probability (FAP) bounded unified framework for segmentation of the phonocardiogram (PCG) signal sounds registered by an electronic stethoscope board. To meet this end, first the original PCG signal is pre-processed by application of an appropriate bandpass finite-duration impulse response (FIR) filter and then by implementation of à trous discrete wavelet transform (DWT) to the filtered signal for extracting several dyadic scales. Then, after choosing a proper scale, a fixed sample size sliding window is moved on the selected scale and in each slide, six feature vectors namely summation of the nonlinearly amplified Hilbert transform, summation of absolute first order differentiation, summation of absolute second-order differentiation, curve length, area and variance of the excerpted segment are calculated. Then, all feature trends are normalized and utilized to construct a newly proposed principal components analyzed geometric index (PCAGI) (to be used as the segmentation decision statistic (DS)) by application of a linear orthonormal projection. Next, using an adaptive smoothing filter (ASF), the obtained metric is modulated and freed from the fast fluctuations occurring in the vicinity of events onset and offset locations which consequently results in enhancement of edge detection accuracy. Later, histogram parameters of the filtered DS metric are used for the regulation of the -level Neyman-Pearson classifier for FAP-bounded delineation of the PCG events. To assess the performance quality of the proposed PCG segmentation algorithm, the method was applied to all 85 records of Nursing Student Heart Sounds database including stenosis, insufficiency, regurgitation, gallop, septal defect, sound split, rumble, murmur, clicks, friction rub and snap disorders with different sampling frequencies. The method was also applied to the records obtained from an electronic stethoscope board designed for fulfillment of this study in the presence of high-level power-line noise and external disturbing sounds and as a result, no false positive or false negative errors were detected. High robustness against measurement noises of the electronic stethoscopes, acceptable detection-segmentation accuracy of PCG events in the presence of severe heart valvular and arrhythmic dysfunctions within a tolerable computational burden (processing time) and having no parameter dependency on the acquisition sampling frequency can be mentioned as important merits and capabilities of the proposed PCAGI-based PCG events detection-segmentation algorithm.

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Section: Advanced Spot Technologymentioning

confidence: 96%

“…30, 32, 99 Substitution analyses are well suited for SPOT technology (synonym: SPOT analogue analysis26) for rapid and effective mapping of the structure–activity relationships of binding motifs, or even of a complete protein domain 55. 60, 100…”

Section: Fundamental Spot Technologymentioning

confidence: 99%

Optimal delineation of PCG sounds via false‐alarm bounded segmentation of a wavelet‐based principal components analyzed metric

Homaeinezhad

Atyabi

Deneshvar

et al. 2011

Numer Methods Biomed Eng

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“…In einem “reversen” Substitutionsexperiment83 wurden alle 47 Aminosäuren der vollständigen WW‐Domäne von YAP65 nacheinander substituiert (Abbildung 5). Dies ermöglicht die Identifizierung derjenigen kritischen Reste der WW‐Domäne, die sowohl für die Stabilisierung der Faltung als auch für die Ligandenbindung (in diesem Fall das 13‐mer EYPPYPPPPYPSG84) nötig sind.…”

Section: Ww‐domänenunclassified

“… Umgekehrter SPOTs‐Scan, in dem alle 42 Aminosäuren der WW‐Domäne von YAP65 unter Beibehaltung der Peptidsequenz des Liganden (EYPPYPPPPYPSG) substituiert wurden (Nachdruck mit Erlaubnis von Toepert et al83). Rote Kästen: für die Bindung des Peptids wichtige Regionen der WW‐Domäne.…”

Section: Ww‐domänenunclassified

Classical and Distonic Radical Cations: A Valence Bond Approach

Bouchoux

Berruyer

Hiberty

et al. 2007

Chemistry A European J

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The conventional radical cations arising from the ionization of CH(3)CH(2)X (X=F, OH, NH(2), Cl, SH, PH(2)), and their distonic isomers, CH(2)CH(2)XH(.+), were studied by means of standard Møller-Plesset and G2 methods, and by an ab initio valence bond method. Among the conventional structures, two distinct states are considered. In the so-called c' states, the unpaired electron is in an orbital that lies in the plane of the heavy atoms, while the c'' states have their unpaired electron in an orbital lying out of the plane. It is shown that c' states are, as a rule, more stable than the c'' states, by up to approximately 20 kJ mol(-1) depending on the nature of X, owing to a stabilizing interplay of resonating structures. While the geometries of the c'' states are rather similar to those of the neutral molecules, some of the c' states display very different geometries, characterized by elongated C--C bonds, particularly when X=F or, to a lesser extent, when X=OH or Cl. These peculiar geometric features are rationalized by the valence bond analysis, which reveals that the C--C bond in these species is better viewed as a two-center, one-electron bond. The distonic radical cations are generally more stable than the conventional ones (by 20-100 kJ mol(-1)), except for the less electronegative X groups of the series, namely X=SH and PH(2). In these two cases, together with X=NH(2), the radical cation displays a classical distonic structure, as regards the geometry and electronic state. On the other hand, considerable C--X elongation is found for X=F or Cl. In these last cases, the valence bond analysis shows that the radical cation is better viewed as an ion-molecule complex between an ionized ethylene and a neutral HX molecule. The electronic structure of the distonic radical cation with X=OH lies between the two previous limiting descriptions.

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