Matrix Rank Analysis of Spectral of Data.

Katakis, D.

doi:10.1021/ac60226a023

Cited by 55 publications

(19 citation statements)

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“…The experimental spectra and their first derivatives were then used to evaluate the 2 x 2 Wronskian determinants of all possible combinations of the four solutions, namely [l, 21 [ l , 31 [ 1,4] ,4]. For the [ l , 21 combination, for example, the Wronskian is second derivatives.…”

Section: Resultsmentioning

confidence: 99%

Use of the Wronskian determinant in the study of multicomponent systems

Koïnis

Tsatsas

Katakis

1991

Journal of Chemometrics

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The use of Wronskian determinants in the study of multicomponent systems is proposed. The general theory is presented and applied to the spectrophotometric determination of the number of linearly independent components-absorbers. A detailed study of a two-component system is presented and analysed. Numerical methods for smoothing and differentiation of digitized spectra via cubic splines are used.

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Section: Resultsmentioning

confidence: 99%

Use of the Wronskian determinant in the study of multicomponent systems

Koïnis

Tsatsas

Katakis

1991

Journal of Chemometrics

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“…To determine the number of ion aggregates formed in citrate-containing solutions, matrix rank analysis (MRA) was performed with the aid of the MRA program . The basis of MRA is that the rank of the so-called absorbance matrix equals the number of statistically independent absorbing species. , For data analysis, the 235–337 nm region was used, and the residual absorbance curves were plotted as a function of λ to visualize how many species are required to describe the UV spectra sufficiently. The number of absorbing species was gradually increased until the calculated residual absorbances randomly scattered within the [−0.005, 0.005] interval.…”

Section: Methodsmentioning

confidence: 99%

Equilibria and Dynamics of Sodium Citrate Aqueous Solutions: The Hydration of Citrate and Formation of the Na₃Cit⁰ Ion Aggregate

et al. 2020

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Sodium citrate (Na 3 Cit) has a crucial role in many biological and industrial processes. Yet, quantitative information on its hydration and the ion association between Na + and Cit 3− ions in a broad range of salt concentrations is still lacking. In this work, we study both ion association equilibria and relaxation dynamics of sodium citrate solutions by combining potentiometry, spectrophotometry, and dielectric spectroscopy. From photometric and potentiometric measurements, we detect the formation of the NaCit 2− ion-pair and the neutral Na 3 Cit 0 ion aggregate in a wide range of ionic strengths (0.5−4 M). Due to its remarkable stability, the latter becomes the prevailing species at higher salt concentrations. In the dielectric spectra, we observe the dipolar relaxation of Cit 3− and NaCit 2− and two solvent-related processes, associated with the collective rearrangement of the H-bond network (cooperative water mode) and the H-bond flip of water molecules (fast water mode). Unlike numerous other salt solutions, the relaxation time of the cooperative mode scales with the viscosity indicating that the strongly hydrated anion fits well into the water network. That is, the stabilizing effect of anion−solvent interactions on the H-bond network outweighs the destructive impact of the cations as the latter are only present at low concentration, due to strong ion association. In conclusion, the affinity of citrate toward Na + binding not only governs solution equilibria but also has a strong impact on water dynamics.

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“…With increased availability of computers, the need to extract more information from instrumental techniques has been increasingly recognized (Fenwick, 1932;Gran, 1952;Feates & Ives, 1956;Sternberg, Stillo & others, 1960;Jones, Seshadri & others, 1963;Katakis, 1965;Fraser & Suzuki, 1966;Wernimont, 1967;Westerberg, 1969;Anderson, Gibb & Littlewood, 1970).…”

Section: I G I T a L F I L T E R I N Gmentioning

confidence: 99%

Digital filters in the evaluation of titration curves

Perks

Glenn

1971

Journal of Pharmacy and Pharmacology

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The shape of a titration curve contains useful information, which may be extracted in terms of orthogonal polynomial coefficients. In this way, it is possible to (i) distinguish a monobasic acid from a polybasic acid, having groups of closely similar strength; (ii) detect acid‐base impurities in acids and bases, and (iii) study medium effects. The choice of polynomial, range, number of points and experimental conditions are discussed. Using twelve point polynomials and equipment of modest performance, the Pi coefficient (for the central half of a monobasic acid titration curve) can be measured with a relative standard deviation of 0·58.

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Matrix Rank Analysis of Spectral of Data.

Cited by 55 publications

References 4 publications

Use of the Wronskian determinant in the study of multicomponent systems

Use of the Wronskian determinant in the study of multicomponent systems

Equilibria and Dynamics of Sodium Citrate Aqueous Solutions: The Hydration of Citrate and Formation of the Na₃Cit⁰ Ion Aggregate

Digital filters in the evaluation of titration curves

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Matrix Rank Analysis of Spectral of Data.

Cited by 55 publications

References 4 publications

Use of the Wronskian determinant in the study of multicomponent systems

Use of the Wronskian determinant in the study of multicomponent systems

Equilibria and Dynamics of Sodium Citrate Aqueous Solutions: The Hydration of Citrate and Formation of the Na3Cit0 Ion Aggregate

Digital filters in the evaluation of titration curves

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Equilibria and Dynamics of Sodium Citrate Aqueous Solutions: The Hydration of Citrate and Formation of the Na₃Cit⁰ Ion Aggregate