Journal ArticleDOI
Synthetic fentanyls evaluation and characterization by infrared spectroscopy employing in silico methods
TLDR
In this article, the authors applied factorial design to decide the best conditions to perform quantum calculations to obtain the infrared spectra of 46 seized nonpharmaceutical fentanyls (NPFs) and used multivariate classification to establish the main spectral characteristics of these substances.About:
This article is published in Computational and Theoretical Chemistry.The article was published on 2021-10-01. It has received 2 citations till now.read more
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Ammonia quantum tunneling in cold rare-gas He and Ar clusters and factorial design approach for methodology evaluation
References
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Journal ArticleDOI
The Fentanyl Story
TL;DR: The data indicate that fentanyl's popularity has occurred because it has minimal cardiovascular effects, does not result in increases in plasma histamine, is relatively short in onset of action and duration of effect, is easy and inexpensive to synthesize and prepare for the marketplace, and is now familiar to clinicians working in pain and perioperative medicine throughout the world.
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Efficient Structure Optimization with Second-Order Many-Body Perturbation Theory: The RIJCOSX-MP2 Method.
Simone Kossmann,Frank Neese +1 more
TL;DR: The application of the RIJCOSX approximation, which involves different approximations for the formation of the Coulomb- and exchange-type matrices, to MP2 theory is demonstrated and is benchmarked against the original MP2 and the already highly efficient RI-MP2 method.
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Optimizing drug delivery systems using systematic "design of experiments." Part II: retrospect and prospects.
TL;DR: A vast account of various DoE reports on optimization of diverse drug delivery system and processes along with the critical graphical analysis of various designs, input, and response variables have been presented here in a categorical form.
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Misuse of Novel Synthetic Opioids: A Deadly New Trend.
TL;DR: Novel synthetic opioids (NSOs) include various analogs of fentanyl and newly emerging non-fentanyl compounds and there is strong demand for their use, these drugs are being trafficked by organized crime.
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Improvement of multivariate calibration through instrument standardization
TL;DR: Several standardization methods based on the measurement of a small set of strandards have been developed and compared to the recalibration on individual instruments.