Narcotics, analysis

G. Calomme and P.J. Lewi, Multivariate analysis of structure-activity data. Spectral map of opioid narcotics in receptor binding. Actual. Chim. Therap., S.l 1 (1984) 121-126. 

Shannon, H.E. Pharmacological analysis of the phencyclidine-1ike discriminative stimulus properties of narcotic derivatives in rats. J. Pharmacol Fxp Ther 222 146-151, 1982b. 

With a focus on trace forensic detection of explosives, especially for use in counterterrorism and to counter narcotics investigations, Fetterolf et al. [75] evaluated the use of ion mobility-mass spectrometry for explosives determinations. In this, explosives residues were collected on a membrane filter by a special attachment on a household vacuum cleaner. Although subsequent thermal desorption and analysis required only 5 s, fimits of detection for most common explosives were as low as 200 pg. The persistence of explosives on hands and transfer to other surfaces were also examined as were post-blast residues of NG on fragments of improvised explosive devices constructed with double-based smokeless powder. Finally, postblast residue from C-4, Semtex, and other explosives was found by IMS analyses on items of forensic and evidentiary value. These few out of many examples demonstrate that mobihty spectrometers are well suited tools for laboratory and on-site investigations, before and after the use of explosives. 

In an analysis of stereochemical factors in narcotic analgesics, Portoghese considers that the conformational requirements for most of the 4-phenylpiperidine analgesics appear to be minimal [282]. His argument was based, in part upon (1) the fact that endo and exo isomeric azabicyclo [2,2,1] heptane analogues (LXXXII) of pethidine have similar orders of potency in mice (benzoquinone... 

Possibly relevant to be added to data base in vitro bioassay general toxicity (extract) in vitro bioassay thyroid hormone disruption (extract) (incl. bioactivation) in vitro estrogenicity or androgenicity (extract) Chemicals that only are toxic in high concentration (narcotics, nanoparticles) Chemical analysis of lipophillic POPs in water... 

Ryder, A.G., O Connor, G.M. and Glynn, T.J. (1999) Identifications and quantitative measurements of narcotics in solid mixtures using near-IR Raman spectroscopy and multivariate analysis /. Forensic Sci. 44, 1013-1019. 

L. Stomberg, Comparative gas chromatographic analysis of narcotics. Amphetamine sulphate, J. Chromatogr., 706 335 (1975). 

Extensive drug screening is done at many athletic events, such as the Olympic Games. Usually, separate analyses, using different extraction procedures, are done for stimulants, narcotics, anabolic steroids, diuretics, and peptide hormones. In the analysis for stimulants, which are amines such as amphetamine and cocaine, a 5 rnL urine sample is first made basic with K.OH to ensure that the amines are present as the neutral molecules rather than as salts. The free amines are then extracted from the sample with diethyl ether. To save time and expense, the sample is first analyzed by gas chromatography only. If a peak appears with the retention time of one of the proscribed stimulants, then the sample is reanalyzed by GC/MS to confirm the identity of the suspected compound. 

Based on the earlier work of Meyer and Overton, who showed that the narcotic effect of anesthetics was related to their oil/water partition coefficients, Hansch and his co-workers have demonstrated unequivocally the importance of hydrophobic parameters such as log P (where P is, usually, the octanol/water partition coefficient) in QSAR analysis.28 The so-called classical QSAR approach, pioneered by Hansch, involves stepwise multiple regression analysis (MRA) in the generation of activity correlations with structural descriptors, such as physicochemical parameters (log P, molar refractivity, etc.) or substituent constants such as ir, a, and Es (where these represent hydrophobic, electronic, and steric effects, respectively). The Hansch approach has been very successful in accurately predicting effects in many biological systems, some of which have been subsequently rationalized by inspection of the three-dimensional structures of receptor proteins.28 The use of log P (and its associated substituent parameter, tr) is very important in toxicity,29-32 as well as in other forms of bioactivity, because of the role of hydrophobicity in molecular transport across cell membranes and other biological barriers. 

The stereodrawing of morphine plotted by a computer program (41) and based on the coordinates and thermal parameters experimentally determined by X-ray analysis of a crystal of the HBr salt (42) has been oriented to show the characteristic T shape of the molecule (or ion with the protonated N) in Fig. 20(a). Naloxone, a potent narcotic antagonist, differs from morphine chemically in the substitution of an allyl chain for the methyl group on the N atom, the substitution of OH for H at C-14, the saturation of the C-7-C-8 bond, and a carbonyl oxygen at C-6 rather than a hydroxyl. The stereodrawing of naloxone in Fig. 20(b) shows that morphine and naloxone (43) have identical molecular conformations, except for atoms C-6 and C-7 in ring D. 

Arnold, W, Radioimmunological Hair Analysis for Narcotics and Substitutes, J. Clin. Chem. Clin. Biochem., 25, 753,1987. 

Mieezkowski, X, Passive contamination of Undercover Narcotics Officers by cocaine an assessment to their exposure using hair analysis. Microgram 28, 193, 1995. 

More than a hundred years ago, Meyer and Overton made their seminal discovery on the correlation between oil/water partition coefficients and the narcotie potencies of small organic molecules (7,8). Ferguson extended this analysis by placing the relationship between depressant action and hydrophobicity in a thermodynamic context the relative saturation of the depressant in the biophase was a critical determinant of its narcotic potency (9). At this time, the success of the Hammett equation began to permeate structure-activity studies and hydrophobicity as a determinant was relegated to the background. In a landmark study, Hansch and his colleagues de-... 

The QSAR paradigm has been shown to be particularly useful in environmental toxicology, especially in acute toxicity determinations of xe-nobiotics (223). There has recently been an emphasis on "transparent, mechanistically comprehensive QSAR for toxicity," a move that is welcomed by many researchers in the field (224, 225). Cronin and Schultz developed QSAR 1.101 to describe the polar, narcotic toxicity of a large set of substituted phenols. A number of phenols with ionizableor reactive groups (e.g., —COOH, SIO, — NH2, or — NHCOCHg) were omitted from the final analysis (226). 

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