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
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Journal ArticleDOI
Computational Thermochemistry: Scale Factor Databases and Scale Factors for Vibrational Frequencies Obtained from Electronic Model Chemistries
TL;DR: It is shown that, upon scaling, the balanced multicoefficient correlation method based on coupled cluster theory with single and double excitations (BMC-CCSD) can lead to very accurate predictions of vibrational frequencies.
Journal ArticleDOI
Vitamin D Supplements and Prevention of Cancer and Cardiovascular Disease
JoAnn E. Manson,Nancy R. Cook,I-Min Lee,William G. Christen,Shari S. Bassuk,Samia Mora,Heike Gibson,David Gordon,Copeland T,Derek Dagostino,Friedenberg G,Ridge C,Bubes,Edward Giovannucci,Walter C. Willett,Julie E. Buring +15 more
TL;DR: Comparing vitamin D with placebo did not result in a lower incidence of invasive cancer or cardiovascular events than placebo, and Supplementation with vitamin D was not associated with a lower risk of either of the primary end points.
Book
Chemometrics: A Practical Guide
TL;DR: The Six Habits of an Effective Chemometrician and its Applications: Pattern Recognition, Multivariate Calibration and Prediction.
Book
Experimental Design and Analysis
Steven R. Brown,Lawrence Melamed +1 more
TL;DR: This paper presents a meta-analysis of Variability Test Analysis of Variance Completely Randomized Design Comparisons and Trends and its applications to Blocks Algorithms and Factorial Design.
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Fentanyl, fentanyl analogs and novel synthetic opioids: A comprehensive review
TL;DR: In 2014, the first illicit pills containing fentanyl, fentanyl analogs, and other novel synthetic opioids such as U-47700 were detected as mentioned in this paper, and since then, fentanyl has caused deaths in every state and fentanyl and its analogs have completely infiltrated the North American heroin supply.