Factors prediction

Bahar et al. [46] have used this kind of approach to predict the B-factors of 12 X-ray structures. Elements in the Hessian corresponding to atom pairs separated by a distance of less than 7 A are set to zero, and the remainder have the same value dependent on a single adjustable parameter. Generally B-factor predictions for the a-carbons compare very well with the B-factors measured by X-ray crystallography. Figure 1 shows the result for the subunit A of endodeoxyribonuclease I complexed with actin. 

Theoretically, corrosion rates from naphthenic acids are proportional to the level of the neutralization number of feed stocks but investigators have been unable to find a precise correlation between these factors. Predicting con osion rates based on the neutralization number remains uncertain. Published data, however, indicate a scattered trend toward increasing corrosion with increasing neutralization number.-... 

However, consideration in terms of the ionic radius or the LFSE shows that both factors predict that the maximum stabilities will be associated with nickel(ii) complexes, as opposed to the observed maxima at copper(ii). Can we give a satisfactory explanation for this The data presented above involve Ki values and if we consider the case of 1,2-diaminoethane, these refer to the process in Eq. (8.13). 

Rabinstein AA, Mueller-Kronast N, Maramattom BV, Zazulia AR, Bamlet WR, Diringer MN, Wijdicks EF. Factors predicting prognosis after decompressive hemicraniectomy for hemispheric infarction. Neurology 2006 67 891-893. 

Discontinuation of antiepileptic drugs should be done gradually, only after the patient has been seizure-free for 2 to 5 years and with careful consideration of factors predictive of seizure recurrence. 

Several risk factors predict a greater likelihood of gastrointestinal complications in NSAID-treated patients (see Chap. 15). 

A complete list of the reaction conditions tested for this response surface design can be found in [76], The center point reaction condition was repeated six times. This was done to measure the variability of the reaction system. Also, the space velocity is kept constant, as it was the least important factor predicted by screening design, for all the reaction conditions. The purpose of this nested response surface design was to develop an empirical model in the form of Eqn (5) to relate the five reaction condition variables and the three catalyst composition variables to the observed catalytic performance. 

For the case where S = 2 this expression reduces to the simple exponential form of Arrhenius. For values of S greater than 2, it yields a much larger probability of reaction than one would obtain from the normal Arrhenius form. The enhancement may be several orders of magnitude. For example, when S = 10 and E/RT = 30, the ratio of the probability factor predicted by Hinshelwood s approach to that predicted by the conventional Arrhenius method is (30)4/4 = 3.375 x 104. The drawback of the approach is that one cannot accurately predict S a priori. When one obtains an apparent steric factor in excess of unity, this approach can often be used in interpretation of the data. 

Hill SY, Shen S, Lowers L and Locke J (2000). Factors predicting the onset of adolescent drinking in families at high risk for developing alcoholism. Biological Psychiatry, 48, 265-275. 

Ross JS, Fletcher JA. The HER-2/neu oncogene in breast cancer prognostic factor, predictive factor, and target for therapy. Oncologist 1998 3 237-252. 

Rantapaa-Dahlqvist, S. et al., Antibodies against cyclic citrullinated peptide and IgA rheumatoid factor predict the development of rheumatoid arthritis, Arthritis Rheum., 48, 2741, 2003. 

The 500 mm diameter extrusion problem presented in Section 7.5.1 was simulated using the generalized Newtonian method with and without the iy correction factor. The simulations and the experimentally determined pressure at a position 5.6 diameters downstream are shown in Fig. 7.29. Recall that the generalized Newtonian method over-predicts the pressure by a factor of 1.7 (a 70% over-prediction) at 10.8 MPa. The method with the F, correction factor predicts a pressure of 5.9 MPa, a pressure that is slightly lower than the experimentally determined pressure of... 

Separation factors predicted by the partition model are compared with the experimental data from reference (13) in Figure 7. The partition model predicts the magnitude of the separation factor better than the parallel capillary model (see Figure 1), however the parallel capillary model predicts the shape of the curves better. This suggests that neither model alone is sufficient to account for the separation. 

Layup Young s modulus (GPa) Measured stress concentration factor Predicted stress concentration factor Notched strength, [Pg.344]

No. of Factors Prediction Residual Sum of Squares (Reconstruction of Orieinal Data) % of Total Spectral Variance of Data Set... 

If we are lucky, frequency factor predictions from either collision or transition-state theory may come within a factor of 100 of the correct value however, in specific cases predictions may be much further off. 

FIGURE 12.4 Watson K factor predicted based on H-NMR vs. observed. 

Monraats PS, Pires NM, Agema WR, et al. Genetic inflammatory factors predict restenosis after percutaneous coronary interventions. Circulation. Oct 18 2005 112(16) 2417-2425. 

FaUcson G, Gelman R, FaUcson Cl, Click J, Harris J. Factors predicting for response, time to treatment failure and survival in women with metastatic breast cancer treated with DAVTH a prospective Eastern Cooperative Oncology Group study. J Clin Oncol 1991 9 2153-61. 

Stoll AL, Banov M, Kolbrener M, et al Neurological factors predict a favorable valproate response in bipolar and schizoaffective disorders. J Chn Psycho-pharmacol 14 311-313, 1994... 

What is clear is that without some form of effective maintenance treatment, the relapse rate is substantial (i.e., greater than 50% within the first 12 months after acute remission). Thus, prospective trials are needed to address questions such as which factors predict the likelihood of a good response to maintenance medication versus maintenance ECT and which combination strategies are best to prevent relapse after a successful acute ECT trial ( 1). 

For a drug given once every half-life, the accumulation factor is 1/0.5, or 2. The accumulation factor predicts the ratio of the steady-state concentration to that seen at the same time following the first dose. Thus, the peak concentrations after intermittent doses at steady state will be equal to the peak concentration after the first dose multiplied by the accumulation factor. 

The smaller expansion factor predicted by the theory of Hoeve originates from neglecting the tail portions of the adsorbed polymer chain, while the larger expansion factor predicted by Jones and Richmond is due to their failure of correctly evaluating the elastic free energy, as has been pointed out by Kawaguchi and Takahashi74. ... 

Chau SY, Mok CC. Factors predictive of corticosteroid psychosis in patients with systemic lupus erythematosus. Neurology 2003 61 104-7. 

Lamond N, Tiggemann M, Dawson D. Factors predicting sleep disruption in Type II diabetes. Sleep 2000 23 415—416. 

In this section we summarize current estimates of C stocks in soils and explore the factors predicting broad-scale patterns in soil C storage. 

Conventional spherical shell model calculations have been undertaken to describe 90 88zr and 90 88y in these large scale calculations valence orbitals included If5/2 2P3/2 2Pl/2 and 199/2 The d5/2 orbital was included for 98Y and for high-spin calculations in 98Zr. Restrictions were placed on orbital occupancy so that the basis set amounted to less than 2b,000 Slater determinants. Calculations were done with a local, state independent, two-body interaction with single Yukawa form factor. Predicted excitation energies and electromagnetic transition rates are compared with recent experimental results. 

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