J-Alert

We have developed a new set of rules, called J-Alert , that contains cut-offs for human jejunal permeability, water solubility, the number of oxygen-based H-bond acceptors, partial charge sums on the oxygen-based H-bond donors and acceptors, and a low level cut-off for the Moriguchi log P [28]. The J-Alert rules and a two-letter abbreviation are listed as follows ... 

All the descriptors and properties necessary to calculate J-Alert are generated by the software program QMPRPlus (Simulations Plus, Inc.). The current set of QMPRPlus computational models for biopharmaceutical properties is listed below ... 

In a comparison between Lipinski s rules and the J-Alert, we have found that the Rule of 5 accurately identifies some of the compounds that have unfavorable ADME properties, but also allows many of the poor compounds to go undetected. By contrast, the J-Alert identifies a much higher fraction of the unfavorable compounds but additionally identifies many ADME positives. 

Name Fa% Fa-Rank J-Alert Rank Active transport... 

Fig. 18.1. J-Alert rank correlation for passively the basis of the estimated human effective absorbed drugs only. The ranking of drug permeability (calculated from a 3D structure...

J-Alert value, and then within a J-Alert value on value. 

Fig. 18.2. J-Alert rank correlation for drugs within a J-Alert value on the basis of the affected by active processes during absorption, estimated human effective permeability The ranking of drug molecules on the Y-axis (calculated from a 3D structure by QMPRPIus). was obtained by first sorting the drugs on the The ranking on the X-axis was directly by basis of increasing J-Alert value, and then increasing fraction absorbed value.

Rosa, R. R., Colligan, M. J., Lewis, P. (1986). Extended Workdays Effects of 8-hour and 12-hour Rotating Shift Schedules on Test Performance, Subjective Alertness, Sleep Patterns and Psychosocial Variables. Proceedings of the Human Factors Society 30th Annual Meeting, Vol. 2,882-889. 

Douglas SD (2001) Methadone may promote HIV replication study. AIDS Alert 16 120 Dreyer EB, Kaiser PK, Offermann IT, Lipton SA (1990) HIV-1 coat protein neurotoxicity prevented by calcium channel antagonists. Science 248 364-367 Dunn S, Vohra RS, Murphy JE, Homer-Vanniasinkam S, Walker JH, Ponnambalam S (2008) The lectin-like oxidized low-density-lipoprotein receptor a pro-inflammatory factor in vascular disease. Biochem J 409 349-355... 

Berridge C., O Neil J., Wilier K (1999). Amphetamine acts within the medial basal forebrain to initiate and maintain alert waking. Neuroscience 93,... 

Daley J., Turner R., Bliwise D., Rye D. (1999). Nocturnal sleep and daytime alertness in the MPTP-treated primate. Sleep 22(Suppl.), S218-19. 

Wesensten, N. J., Killgore, W. D. Balkin, T. J. (2005). Performance and alertness effects of caffeine, dextroamphetamine, and modafinil during sleep deprivation./. Sleep Res. 14 (3), 255-66. 

Kamimori G. H., Penetar D. M., Headley D. B. et al. (2000). Effect of three caffeine doses on plasma catecholamines and alertness during prolonged wakefulness. Eur. J. Clin. Pharmacol. 56, 537-44. 

Police drove through Chicago warning people with loudspeakers. FDA advised avoidance of Tylenol capsules. J J immediately recalled 31 million bottles and alerted consumers not to consume capsules until source of tampering was determined. The production and advertising of Tylenol capsules were stopped, and tablets were exchanged for capsules. 

Ashby J. 1985. Fundamental structural alerts to potential carcinogenicity or non-carcinogenicity. Environ Mutagen 7 919-921. 

When the NFPA diamond is used for container or vessel labeling, and the white (bottom) quadrant contains the W symbol, the material will react violently or explosively with water, and a chemical reactivity hazard obviously exists. However, if the W symbol is not present, the material may still be water reactive, but at a slower rate, since the pur-pose of the NFPA symbol is to alert emergency responders to significant, immediate water reactivity n. hazards. Water reactivity is often very rapid, but can j also be slow. The reaction may generate sufficient gas Twy to rupture a closed container or vessel. The reaction of f an organic material with water may be delayed due to reaction only occurring at the interface. 

The 72 kJ mol-1 discrepancy observed for Z)//°[(CO)3Cr-C6H6] alerts us to two important issues (1) Stepwise bond dissociation enthalpies are often very different from their mean (2) bond dissociation enthalpy values may not be transferable from one molecule to another. In other words, how can we assess the assumption that 3(Z)//°)(Cr-CO) in Cr(CO)6 is similar to Z)//j°(Cr-CO) + Z)// (Cr-CO) + DH (Cr-CO) in Cr(CO)3(C6H6) This question will be discussed in section 5.3. With regard to the former issue, the data in figure 5.4 provide further illustration for some first-row hydrides. The values shown in the plot are results from ab initio calculations for the species involved, in excellent agreement with the most accurate experimental data [78]. 

Jellett, J.F., et al.. Detection of paralytic shellfish poisoning (PSP) toxins in shellfish tissue using MIST Alert, a new rapid test, in parallel with the regulatory AOAC mouse bioassay, Toxicon, 40, 10, 1407, 2002. 

Hilker M, Meiners T (2006) Early herbivore alert insect eggs induce plant defense. J Chem Ecol 32 1379-1397... 

Coull, J.T., Nobre, A.C., and Frith, C.D. (2001) The noradrenergic alpha2 agonist clonidine modulates behavioural and neuroana-tomical correlates of human attentional orienting and alerting. Cereb Cortex 11 73-84. 

Brazzelli M, Cocchini G, Della Sala S, et al Alzheimer patients show a sensitivity decrement over time on a tonic alertness task. J Clin Exp Neuropsychol 16 851-860, 1994... 

Hausmann, M., J. Rudolf, and U. Platt, Spectroscopic Measurement of Bromine Oxide, Ozone and Nitrous Acid in Alert, in The Tropospheric Chemistry of Ozone in the Polar Regions NATO ASI Series I Global Environmental Change (H. Niki and K. H. Becker, Eds.), Vol. 17, pp. 189-203, 1993. 

Caldwell, J.A., Caldwell, J.L., Smythe, N.K., Hall, K.K. A double-blind, placebo-controlled investigation of the efficacy of modafinil for sustaining the alertness and performance of aviators a helicopter simulator study. Psychophannacology 150, 272-282, 2000. 

Curran, H.V. Memory functions, alertness and mood of long-term benzodiazepine users a preliminary investigation of the effects of a normal daily dose. J. Psvchopharmacol. 6, 69-75, 1992b. 

Ashby, J. Clapp, M.J.L. (1995) The rodent dominant lethal assay a proposed format for data presentation that alerts to psendo-dominant lethal effects. Mutat. Res., 330, 209-218 Ashby, J., Brady, A., Elcombe, C.R., Elliott, B.M., Ishmael, J., Odnm, J., Tngwood, J.D., Kettle, S. Purchase, IF. (1994) Mechanistically-based human hazard assessment of peroxisome proliferator-induced hepatocarcinogenesis. Hum. exp. Toxicol., 13 (Suppl. 2), S1-S117... 

When action level excursions or frequent alert excursions are identified, a corrective action program, resolution deadline, and preventive plan shall be implemented. Risk analysis shall be performed to determine the probability of one or more causes of errors occurring, as well as to identify the potential consequences of excursions. (See attachment nos. 1700.80(1), 1700.80(J), and 1700.80(K), and 1700.80(L) for excursion of air, surface, personnel, and visual inspection report during the visit to plant by the microbiologist responsible.)... 

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