An Algorithm for the Reproducible Spectral Subtraction of Water from the FT-IR Spectra of Proteins in Dilute Solutions and Adsorbed Monolayers

Powell, J. Robert; Wasacz, F. M.; Jakobsen, R. J.

doi:10.1366/0003702864509330

Cited by 104 publications

(55 citation statements)

References 12 publications

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“…Transmission IR spectra were collected from % 3% (w/v) solutions sandwiched between CaF 2 windows with a 5 lm Teflon spacer in a demountable cell. The protein signal was extracted from IR spectra by subtracting a buffer spectrum with a scaling factor determined by the method of Powell et al [36]. The contribution of water vapor from infrared spectra was subtracted using a scaling factor determined from the integrated absorbance of the 1717 or 1772 cm À1 bands.…”

Section: Spectroscopic Data Collection and Processingmentioning

confidence: 99%

“…It remains possible that these differences reflect the internal consistency of the spectra in each respective basis set rather than the expected general accuracy of the methods. In a recent paper, Sreerama & Woody [6] investigated the effect of the number of reference proteins (29)(30)(31)(32)(33)(34)(35)(36)(37)(38)(39)(40)(41)(42)(43)(44)(45)(46)(47)(48) on the accuracy of the prediction obtained by three publicly available CD analysis software programs.…”

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confidence: 99%

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The optimization of protein secondary structure determination with infrared and circular dichroism spectra

Oberg

Ruysschaert

Goormaghtigh

2004

European Journal of Biochemistry

165

116

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We have used the circular dichroism and infrared spectra of a specially designed 50 protein database [Oberg, K.A., Ruysschaert, J.M. & Goormaghtigh, E. (2003) Protein Sci. 12, 2015-2031 in order to optimize the accuracy of spectroscopic protein secondary structure determination using multivariate statistical analysis methods. The results demonstrate that when the proteins are carefully selected for the diversity in their structure, no smaller subset of the database contains the necessary information to describe the entire set. One conclusion of the paper is therefore that large protein databases, observing stringent selection criteria, are necessary for the prediction of unknown proteins. A second important conclusion is that only the comparison of analyses run on circular dichroism and infrared spectra independently is able to identify failed solutions in the absence of known structure. Interestingly, it was also found in the course of this study that the amide II band has high information content and could be used alone for secondary structure prediction in place of amide I.

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Section: Spectroscopic Data Collection and Processingmentioning

confidence: 99%

mentioning

confidence: 99%

The optimization of protein secondary structure determination with infrared and circular dichroism spectra

Oberg

Ruysschaert

Goormaghtigh

2004

European Journal of Biochemistry

165

116

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“…We stress here that since the concentration of water at the IRE surface varies from spectrum to spectrum because of protein adsorption, the spectral components from water in SATR spectra must be removed by subtraction. The subtractions in Table 1 were performed by an Array Basic program (Galactic) based on the algorithm described by Powell et al (23); however, no baseline correction was performed. This program determined optimum scaling factors for water vapor and other subtrahend spectra using criteria presented elsewhere (24).…”

Section: Figmentioning

confidence: 99%

A New Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy Method for the Study of Proteins in Solution

Oberg

Fink

1998

Analytical Biochemistry

135

124

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“…However, ATR has been applied in a number of other areas which will be mentioned here. (98). In addition, correction of the kinetic spectra of adsorbed protein layers for the presence of "bulk" unadsorbed protein was described (99).…”

Section: Interfacial Phenomenamentioning

confidence: 99%

Fourier Transform Infrared Spectroscopy in Colloid and Interface Science

Scheuing

1990

ACS Symposium Series

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This chapter reviews the wide range of colloidal systems amenable to investigation by FT -IR spectroscopy. Molecular level information about the interactions of amphiphilic substances in aggregates such as micelles, bilayers, and gels can be obtained and related to the appearance and stability of the various phases exhibited. The interactions of polymers, surfactants and proteins with interfaces, which substantially modify the solid -liquid or liquid -air interface in many important industrial and natural processes, can also be monitored using FT -IR.Several themes of the application of FT-IR to studies of colloidal particles and interfaces have appeared over the last decade or so. The purpose of this chapter is to attempt to draw together examples of such research topics for both the practicing spectroscopist and workers in the field of colloid and surfactant science. Major advances have been made in recent years in the areas of spectroscopic data handling (which have affected the "look" and "feel" of the analytical laboratory in general) and sample handling (various new optical accessories). These advances have made FT-IR a truly accessible technique, with tremendous potential for application to research in areas of considerable economic, as well as fundamental, importance.Synthetic surfactants are ubiquitous in the modem world, appearing in a wide variety of consumer cleaning products, in foods and cosmetics, and in industrial products and processes such as metal cleaning and enhanced oil recovery. The design of novel surfactant -based products or processes featuring "improved" performance or decreased environmental impact requires an understanding of the relationship of molecular structure to surfactant phase behavior. In the case of "natural amphiphiles" such as the phospholipids, a single phase, the bilayer, is of paramount importance. Significant advances in the understanding of the molecular forces which stabilize these aggregates have been made recently using vibrational spectroscopy. In nature, membrane bilayers incorporate significant amounts of additional substances such as proteins and cholesterol. Although more complex, such systems are also beginning to yield to spectroscopic analysis. Besides being of fundamental interest, membrane bilayer chemistry affects areas of considerable economic opportunity, considering pharmaceutical chemistry alone.Many of the spectroscopic concepts developed in studies of bilayers are applicable to other molecular aggregates such as surfactant miceUes and gels. The

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An Algorithm for the Reproducible Spectral Subtraction of Water from the FT-IR Spectra of Proteins in Dilute Solutions and Adsorbed Monolayers

Cited by 104 publications

References 12 publications

The optimization of protein secondary structure determination with infrared and circular dichroism spectra

The optimization of protein secondary structure determination with infrared and circular dichroism spectra

A New Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy Method for the Study of Proteins in Solution

Fourier Transform Infrared Spectroscopy in Colloid and Interface Science

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