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Logging tab

Now, your Momec3 force field does not have any parameters for Co "—amine bonds you are ready to develop your own parameterization. See what happens if you try to refine a molecule with a missing parameter reopen the [Co(NH3)6]. hin file from Section 17.3 or from the CSD and refine it. At the bottom of the log tab for the job, the force-field messages will tell you that there is no bond stretch function for atom types CO3—NT (Figure 17.32). [Pg.254]

I 14 Prediction of Log with Substructure-based Methods Tab. 14.3 Atom-based methods. [Pg.372]

Tab. 2.3. Liquid-liquid chromatographic methods for the measurement of log D. Selection of column and mobile phase. Tab. 2.3. Liquid-liquid chromatographic methods for the measurement of log D. Selection of column and mobile phase.
Fig. 2.2. Log D measurement by liquid-liquid chromatography of compounds listed in Tab. 2.4. Note the scatter in measurement of compounds with low log D using Run type 1, caused because retention times are too short. These compounds are more reliably measured using Run type 2. Fig. 2.2. Log D measurement by liquid-liquid chromatography of compounds listed in Tab. 2.4. Note the scatter in measurement of compounds with low log D using Run type 1, caused because retention times are too short. These compounds are more reliably measured using Run type 2.
Tab. 2.4. Liquid-liquid chromatographic methods for measurement of log D at pH 7.4. Results for a series of validation compounds. Tab. 2.4. Liquid-liquid chromatographic methods for measurement of log D at pH 7.4. Results for a series of validation compounds.
Next we need to change the y-axis to a log scale. Click the LEFT mouse button on the Y AXIS tab and change the axis to a log scale ... [Pg.315]

Tab. 2.7 Transfer activity coefficients of ions from water to non-aqueous solvents [log yt (i,W— S)] ... [Pg.46]

Tab. 2.9 Formation constants (log K) of metal tand [222] ion com plexes with dibenzo-18-crown-6 and cryp- ... Tab. 2.9 Formation constants (log K) of metal tand [222] ion com plexes with dibenzo-18-crown-6 and cryp- ...
Hazard potential for each effluent was calculated using a mathematical formula (the PEEP index) proposed by Costan et al. (1993). This formula integrates the ecotoxic responses of the battery of tests before and after a biodegradation step. Toxicity test endpoint responses are first transformed to toxic units. The product of effluent toxicity and effluent flow (m3/h) gives the toxic loading value. The log 10 value of an effluent s toxic loading corresponds to its PEEP index. In order to rank the effluents a toxicity classification scale is generated (Tab. 11). [Pg.249]

Tab. 2.2 Apparent partition coefficients of a-adrenoceptor agonists in liposome-buffer (log K, ) systems as indicated and in n-octanol buffer (log P) at 37°C. (Adapted from Table 1 of ref. 37)... Tab. 2.2 Apparent partition coefficients of a-adrenoceptor agonists in liposome-buffer (log K, ) systems as indicated and in n-octanol buffer (log P) at 37°C. (Adapted from Table 1 of ref. 37)...
Tab. 2.6 CLOGP, partition coefficients in octanol-water3, and related parameters as p/Ca and log D of compounds 1-11. (Adapted from Table 1 of ref. 48)... Tab. 2.6 CLOGP, partition coefficients in octanol-water3, and related parameters as p/Ca and log D of compounds 1-11. (Adapted from Table 1 of ref. 48)...
Tab. 2.7 Partition coefficient, log P, log D, and related parameters of compounds 1—7 in the liposome-water system.3 (Adapted from Table 2 of ref. 48)... Tab. 2.7 Partition coefficient, log P, log D, and related parameters of compounds 1—7 in the liposome-water system.3 (Adapted from Table 2 of ref. 48)...
The antihemolytic activity of phenothiazines (log 1 /C) was also correlated with log K iAM (Tab. 3.2). Again, it was found that the corresponding equation with log Doct is of significantly lower statistical value ... [Pg.52]

Tab. 4.24 Partition coefficients into various liposome systems (log KM) and in n-octanol-saline (log P0CtJ at 30 °Ca of Nitroimidazoles. (Adapted from Tab. 2 of ref. 85)... Tab. 4.24 Partition coefficients into various liposome systems (log KM) and in n-octanol-saline (log P0CtJ at 30 °Ca of Nitroimidazoles. (Adapted from Tab. 2 of ref. 85)...
Tab. 4.26 Tissue-to-plasma partition coefficients (Kp) of basic drugs for various rabbit tissues , octanol-buffer partition coefficient, log Papp, and unbound fraction of drug in serum, fp (Adapted from Tab. 2 of ref. 91)... Tab. 4.26 Tissue-to-plasma partition coefficients (Kp) of basic drugs for various rabbit tissues , octanol-buffer partition coefficient, log Papp, and unbound fraction of drug in serum, fp (Adapted from Tab. 2 of ref. 91)...
Tab. 5.2 Half-blocking doses for closed sodium channels, pK and log /fwIAM for a series of local anesthetics. (Adapted from Tab. 4 of ref. 22). Tab. 5.2 Half-blocking doses for closed sodium channels, pK and log /fwIAM for a series of local anesthetics. (Adapted from Tab. 4 of ref. 22).
Tab. 5.5 Inhibitory activity (/C50, uM) of 3-OCH3, 4-alkoxy-benzylpyrimidines (x= 1-6) in cell-free and whole cell systems of coli ATCC 11 775 (TMP sensitive) and . coli RT 500 (TMP resistant) and the lipophilicity descriptor log /7r. (Reprinted from Tab. 2 ref. 39)... Tab. 5.5 Inhibitory activity (/C50, uM) of 3-OCH3, 4-alkoxy-benzylpyrimidines (x= 1-6) in cell-free and whole cell systems of coli ATCC 11 775 (TMP sensitive) and . coli RT 500 (TMP resistant) and the lipophilicity descriptor log /7r. (Reprinted from Tab. 2 ref. 39)...
Moxifloxacin has a distribution coefficient of log P0/w= -1.9 (water)/-0.6 (buffer, pH = 7). The pKa values are p/C, = 6.4 and pKaZ = 9.5, and its isoelectric point is pH 7.95. Moxifloxacin has high thermal and hydrolytic stability, and is also relatively stable in the presence of oxidizing agents. Compared with the former quino-lones, moxifloxacin has excellent photostability both in the solid state and in solution. It decomposes only slightly under drastic irradiation conditions (Tab. 14.6) [34],... [Pg.342]

Each tag has a sequential number. The upper tabs can be removed and stapled to destination logs. At the emergency department, the triage tag number is entered into the disaster patient tracking log. [Pg.174]

Hybrid audit trails electronically logging last changed by with date and link to related paper-based change records are acceptable for critical records so long as previous versions of the record are maintained. It may be possible in some cases to fulfill the audit trail requirements with a transaction database log. Some database designs require the user to execute a commit record step, while others commit the data as soon as the next field is tabbed to. In cases where a conscious decision to commit the record is required, data entered should not be defined as an electronic record until this action is taken, thus potentially simplifying the audit trail. In cases where there is no commit step, the audit trail should start as soon as each data item is entered. [Pg.361]

Unhke Windows 9x, where user profiles are an optional setting, in Windows 2000 every user will automatically be given a user profile when they log on to the workstation. This profile is stored in the Documents and Settings folder on the drive that 2000 is installed on, and it contains information about the user s settings and preferences. Although this does not happen often, occasionally a user profile will become corrupt or will need to be destroyed. Alternatively, if a particular profile is set up exceptionally well, you can copy it so that it is available for other users as well. To do either of these, use the User Profiles tab (as shown in Figure 14.13) to select the user profile that you want to work with. At that point you will be given three options ... [Pg.615]

Figure 9 represents a plot of log(CAC) versus the number of carbon atoms of a cationic surfactant molecule, C TAB and log(CMC) vs, n is also plotted for the sake of comparison. The figure shows that each CAC is markedly lower than the CMC of the corresponding surfactant. This is particularly true for C gTAB, C ... [Pg.446]


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