Mertz method

Equations (5.24) and (5.25) are equivalent, if one deals with perfect data free of noise. However, if noise is present, as is always the case with measured data, noise contributions computed from Eq. (5.24) are always positive and in the worst case, a factor of s/l larger than the corrected signed noise amplitude computed from Eq. (5.25). The procedure according to Eq. (5.24) and (5.25) is known as the power and Mertz method, respectively. 

Mertz/Stored Phase Like Mertz, but the phase will not be calculated. Instead the phase will be taken from previously existing data for which the phase was obtained using the regular Mertz method. This can be useful for example, if the maximum of the interferogram is not very well defined, as e.g. for emission or Raman measurements. This method is also useful, if the spectra are expected to contain parts with negative contributions. In this case, the phase information used should be taken from a spectrum with only positive values. 

A second method of phase correction, which was developed by Forman et al. [9], is mathematically equivalent to the Mertz method but is performed in the interferogram domain. Recalling that a multiplication in one domain is a convolution in the other, phase correction may be accomplished by taking the inverse Fourier transforms of the two right-hand terms of Eq. 4.34 and convolving them to produce a... 

The nuances of a practical computational technique are often not clear from a discussion of the theory. With this in mind, an example of the Fourier transformation of an interferogram into a spectrum is illustrated for each step of the procedure. Only the Mertz method is shown, as this is the method commonly in use in commercial instrumentation. There is little reason to use the Forman method unless numerical filtering is to be applied. 

In an early work by Mertz and Pettitt, an open system was devised, in which an extended variable, representing the extent of protonation, was used to couple the system to a chemical potential reservoir [67], This method was demonstrated in the simulation of the acid-base reaction of acetic acid with water [67], Recently, PHMD methods based on continuous protonation states have been developed, in which a set of continuous titration coordinates, A, bound between 0 and 1, is propagated simultaneously with the conformational degrees of freedom in explicit or continuum solvent MD simulations. In the acidostat method developed by Borjesson and Hiinenberger for explicit solvent simulations [13], A. is relaxed towards the equilibrium value via a first-order coupling scheme in analogy to Berendsen s thermostat [10]. However, the theoretical basis for the equilibrium condition used in the derivation seems unclear [3], A test using the pKa calculation for several small amines did not yield HH titration behavior [13],... 

An alternative formalism to the acidostat method, continuous constant pH molecular dynamics (CPHMD), has been developed by Brooks and coworkers [42, 58] drawing on the flavor of the early work by Mertz and Pettitt [67], In CPHMD, each titration residue carries a titration coordinate, A j, which is a function of an unbounded variable 0j,... 

Dourson, M.L. 1994. Methods for establishing oral reference doses (RfDs). Pp. 51-61 in Risk Assessment of Essential Elements, W. Mertz, C.O. Abernathy, and S.S. Olin, eds. Washington, D.C. ILSI Press. 

Implementing the shared-memory vector/parallel algorithms developed by Mertz et al. (fgr evaluation of the potential energies and forces, generation of the nonbonded neighbor list, and satisfaction of holonomic constraints) into CHARMM and AMBER resulted in near-linear speed-ups on eight processors of a Cray Y-MP for the forces and neighbor lists. For the holonomic constraints, speed-ups of 6.0 and 6.4 were obtained for the SHAKE and matrix inversion method, respectively. 

M. L. Dourson, Methods for Establishing Oral Reference Doses (RfDs), in W. Mertz, C. O. Abernathy and S. S. Olin, Eds., Risk Assessment of Essential Elements, ILSI Press, Washington, DC, 1994, pp. 51-61. 

Fig. 12-9 Solvus curve determination in the copper-antimony system by the parametric method (a) parameter versus composition curve (b) solubility versus temperature curve. Mertz and Mathewson [12.2].

Method for synthesizing glucuronides of 4,5-epoxymorphinans Mertz, Alfred Adophe Henri... 

There are many excellent publication on biological applications using methods of atomic spectroscopy, including flame AAS. Morrison (1976) reviewed the determination of trace metals in biological materials with considerable attention to comparisons between the available analytical techniques. He showed comparative detection limits of the several techniques and the levels found for each essential and toxic metal in serum and other biological matrices. Sample preparation and control of contamination were discussed. Mertz (1981) discussed the status of the essential trace elements in human biology. Each... 

Several types of tests have been employed to demonstrate the insuhn-potentiating activity of Cr(III) in vitro. In the early studies of Mertz and coworkers (489, 490), glucose uptake or CO2 production by isolated epididymal fat tissue (from Cr-deficient rats) in the presence or absence of Cr(III) complexes were compared. This method required a large number of animals per small number of samples and did not allow for data comparison among different laboratories (491). To overcome this limitation, Anderson et al. (491) proposed the use of isolated adipocytes from rats raised on low-Cr diets. Significantly enhanced CO2 production due to glucose oxidation by adipocytes... 

Forman A method mathematically equivalent to Mertz, offers a slightly higher precision at the cost of higher computational costs. 

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