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1.
Drug Discov Today ; 25(4): 628-632, 2020 04.
Artículo en Inglés | MEDLINE | ID: mdl-32062008

RESUMEN

Cannabidiol (CBD) is the main cannabinoid naturally occurring in hemp. It has recently attracted the attention of the scientific community because of its numerous pharmacological activities. However, its legal status changes depending on whether it is chemically synthesized or extracted from the plant: extracted CBD is a scheduled controlled substance, whereas synthetic CBD is not under control. In Europe, extracted CBD is excluded from the cosmetic ingredients of the CosIng database. Given the confusion surrounding these different forms of CBD, there is an urgent need for clarity to shed light from both a regulatory and a chemical point of view. The impurity profiles of synthetic and natural CBD are different and could currently represent the only means to distinguish the origin of this substance.


Asunto(s)
Cannabidiol/química , Cannabis/química , Sustancias Controladas/química , Cannabidiol/síntesis química , Cannabidiol/aislamiento & purificación , Humanos
2.
Clin Pharmacol Ther ; 106(1): 116-122, 2019 07.
Artículo en Inglés | MEDLINE | ID: mdl-30957872

RESUMEN

The US Food and Drug Administration's Center for Drug Evaluation and Research (CDER) developed an investigational Public Health Assessment via Structural Evaluation (PHASE) methodology to provide a structure-based evaluation of a newly identified opioid's risk to public safety. PHASE utilizes molecular structure to predict biological function. First, a similarity metric quantifies the structural similarity of a new drug relative to drugs currently controlled in the Controlled Substances Act (CSA). Next, software predictions provide the primary and secondary biological targets of the new drug. Finally, molecular docking estimates the binding affinity at the identified biological targets. The multicomponent computational approach coupled with expert review provides a rapid, systematic evaluation of a new drug in the absence of in vitro or in vivo data. The information provided by PHASE has the potential to inform law enforcement agencies with vital information regarding newly emerging illicit opioids.


Asunto(s)
Analgésicos Opioides/química , Sustancias Controladas/química , Control de Medicamentos y Narcóticos/organización & administración , Simulación del Acoplamiento Molecular/métodos , United States Food and Drug Administration/organización & administración , Simulación por Computador , Diseño de Fármacos , Fentanilo/química , Humanos , Salud Pública , Relación Estructura-Actividad , Estados Unidos
3.
Rapid Commun Mass Spectrom ; 30(18): 2070-6, 2016 09 30.
Artículo en Inglés | MEDLINE | ID: mdl-27470537

RESUMEN

RATIONALE: Analysis of forensic evidence by information-rich technologies such as mass spectrometry (MS) is one of the fastest growing areas in forensic analysis. To provide more accurate identification of forensic evidence, in the past few years there has been a growing interest in moving this technology to the field for on-site, real-time analysis. To this end, several portable mass spectrometers have been introduced; however, the analysis of controlled substances could be complicated by the existence of various isomers including optical isomers in which sentencing may depend on the identification of the isomer. To date very few portable separation devices are capable of separating and identifying the optical isomers. METHODS: In this study, the application of the portable ultrafast capillary electrophoresis (UFCE) to the separation of controlled substances is presented and the results are compared with the results obtained from a bench-top CE system. Both a nominal mass ion trap mass spectrometer and an accurate mass orbitrap mass spectrometer were interfaced with CE using a porous tip capillary. RESULTS: A mixture of several controlled substances can be separated and detected using UFCE/MS in about a minute using field strengths of ≥1000 V/cm. Furthermore, separation and detection of underivatized optical isomers of amphetamine, cathinone, nor-mephedrone, and pregabalin using UFCE/MS can be achieved with an analysis time of less than two minutes. Resolutions of 1.3, 3.7 and 3.8 were achieved for pregabalin, cathinone and nor-mephedrone, respectively, under UFCE/MS conditions. CONCLUSIONS: Amphetamine, cathinone, nor-mephedrone and pregabalin were separated and detected in about a minute, demonstrating the utility of the portable CE instrument for the analysis of controlled substances and their optical isomers. Copyright © 2016 John Wiley & Sons, Ltd.


Asunto(s)
Sustancias Controladas/análisis , Electroforesis Capilar/métodos , Espectrometría de Masas/métodos , Alcaloides , Anfetamina , Sustancias Controladas/química , Isomerismo , Metadona/análogos & derivados , Porosidad , Pregabalina , Reproducibilidad de los Resultados
4.
Environ Pollut ; 187: 170-81, 2014 Apr.
Artículo en Inglés | MEDLINE | ID: mdl-24508644

RESUMEN

This study addresses the occurrences and natural fates of chemotherapeutics and controlled drugs when found together in hospital effluents and surface waters. The results revealed the presence of 11 out of 16 drugs in hospital effluents, and the maximum detected concentrations were at the µg L(-1) level in the hospital effluents and the ng L(-1) level in surface waters. The highest concentrations corresponded to meperidine, morphine, 5-fluorouracil and cyclophosphamide. The sunlight photolysis of the target compounds was investigated, and the results indicated that morphine and codeine can be significantly attenuated, with half-lives of 0.27 and 2.5 h, respectively, in natural waters. Photolysis can lower the detected environmental concentrations, also lowering the estimated environmental risks of the target drugs to human health. Nevertheless, 5-fluorouracil and codeine were found to have a high risk quotient (RQ), demonstrating the high risks of directly releasing hospital wastewater into the environment.


Asunto(s)
Antineoplásicos/química , Sustancias Controladas/química , Fotólisis , Contaminantes Químicos del Agua/química , Antineoplásicos/análisis , Sustancias Controladas/análisis , Humanos , Prevalencia , Luz Solar , Aguas Residuales/química , Contaminantes Químicos del Agua/análisis
5.
Drug Test Anal ; 6(6): 542-51, 2014 Jun.
Artículo en Inglés | MEDLINE | ID: mdl-24115758

RESUMEN

Recently a novel class of chiral stationary phases (CSPs) based on cyclofructan (CF) has been developed. Cyclofructans are cyclic oligosaccharides that possess a crown ether core and pendent fructofuranose moieties. Herein, we evaluate the applicability of these novel CSPs for the enantiomeric separation of chiral illicit drugs and controlled substances directly without any derivatization. A set of 20 racemic compounds were used to evaluate these columns including 8 primary amines, 5 secondary amines, and 7 tertiary amines. Of the new cyclofructan-based LARIHC columns, 14 enantiomeric separations were obtained including 7 baseline and 7 partial separations. The LARIHC CF6-P column proved to be the most useful in separating illicit drugs and controlled substances accounting for 11 of the 14 optimized separations. The polar organic mode containing small amounts of methanol in acetonitrile was the most useful solvent system for the LARIHC CF6-P CSP. Furthermore, the LARIHC CF7-DMP CSP proved to be valuable for the separation of the tested chiral drugs resulting in four of the optimized enantiomeric separations, whereas the CF6-RN did not yield any optimum separations. The broad selectivity of the LARIHC CF7-DMP CSP is evident as it separated primary, secondary and tertiary amine containing chiral drugs. The compounds that were partially or un-separated using the cyclofructan based columns were screened with a Cyclobond I 2000 RSP column. This CSP provided three baseline and six partial separations.


Asunto(s)
Cromatografía Líquida de Alta Presión/métodos , Sustancias Controladas/análisis , Fructanos/química , Drogas Ilícitas/análisis , Aminas/análisis , Aminas/química , Sustancias Controladas/química , Drogas Ilícitas/química , Solventes/química , Estereoisomerismo
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