mass spectral library
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2021 ◽  
Author(s):  
Anthony J. Kearsley ◽  
Arun Moorthy

<div> <div> <div> <p>Synthesis, distribution and abuse of fentanyl, a synthetic opioid, has led to a critical worldwide epidemic. Mass spectral library searching for opioids remains unresolved despite being central to law-enforcement involving identification, monitoring and prosecution of opioid related crimes. In this article, two model problems are presented to illustrate difficulties associated with fentanyl identification. A collection of both currently-employed similarity measures and intuitive measures of dissimilarity are employed to simulate identifying fentanyl analogs with mass spectral library searching. </p> </div> </div> </div>



2021 ◽  
Author(s):  
Anthony J. Kearsley ◽  
Arun Moorthy

<div> <div> <div> <p>Synthesis, distribution and abuse of fentanyl, a synthetic opioid, has led to a critical worldwide epidemic. Mass spectral library searching for opioids remains unresolved despite being central to law-enforcement involving identification, monitoring and prosecution of opioid related crimes. In this article, two model problems are presented to illustrate difficulties associated with fentanyl identification. A collection of both currently-employed similarity measures and intuitive measures of dissimilarity are employed to simulate identifying fentanyl analogs with mass spectral library searching. </p> </div> </div> </div>





2021 ◽  
Vol 20 (4) ◽  
pp. 2089-2097
Author(s):  
Prasad Phapale ◽  
Andrew Palmer ◽  
Rose Muthoni Gathungu ◽  
Dipali Kale ◽  
Britta Brügger ◽  
...  


Author(s):  
LILIIA BUDNIAK ◽  
LIUDMYLA SLOBODIANIUK ◽  
SVITLANA MARCHYSHYN ◽  
PAVLINA KLEPACH ◽  
YANA HONCHARUK

Objective: Thus, the aim of our research was to determine the qualitative composition and quantitative content of carbohydrates in the studied plant material with the prospect of its application as a medicinal plant raw material. Methods: The carbohydrates of the herb of Gentiana cruciata L. determined by GC/MS method. Identification of monosaccharides was based on comparing their retention times with retention times of standards of the mass spectral library NIST 02. Quantification was done by using sorbitol added to the sample. Results: The quantitative content of 4 free carbohydrates such as D-saccharose (38.39 mg/g), D-Pinitol (12.01 mg/g), D-glucose (10.05 mg/g) and D-fructose (1.69 mg/g) was established in the herb of Gentiana cruciata L. Also, this method established the qualitative composition and quantitative content of eight carbohydrates (monosaccharides and their derivatives after hydrolysis): D-glucose (29.66 mg/g), D-Pinitol (22.24 mg/g), L-arabinose (4.26 mg/g), D-galactose (3.55 mg/g), D-xylose (1.80 mg/g), L-rhamnose (1.49 mg/g), D-Dulcitol (0.76 mg/g) and D-mannose (0.44 mg/g). Conclusion: The results of the study showed that carbohydrates from the Gentiana cruciata L. can be used as important resources of new ingredients for the pharmaceutical industry.



2020 ◽  
Vol 92 (15) ◽  
pp. 10316-10326 ◽  
Author(s):  
Concepcion Africano Remoroza ◽  
Yuxue Liang ◽  
Tytus D. Mak ◽  
Yuri Mirokhin ◽  
Sergey L. Sheetlin ◽  
...  


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