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Related Concept Videos

Mass Analyzers: Overview01:13

Mass Analyzers: Overview

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The mass analyzer is a crucial component of the mass spectrometer. In the ionization chamber, the vaporized sample is bombarded with a high-energy electron beam to generate a radical cation and further fragment into neutral molecules, radicals, and cations. A series of negatively charged accelerator plates accelerate the cations into the mass analyzer. The mass analyzer separates ions according to their mass-to-charge (m/z) ratios and then directs them to the detector. The common types of mass...
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Mass Analyzers: Common Types01:19

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The quadrupole mass analyzer consists of four cylindrical metal rods arranged in a diamond carrying a DC voltage and a radio-frequency AC voltage. The motion of ions through the quadrupole depends on the field strength, causing only ions of a certain m/z to resonate successfully and strike the detector at a given field strength. Though the transmission rate for these analyzers is high, the exact elemental composition of the sample is not determined because of low resolution; however, they are...
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NP Analyst: An Open Online Platform for Compound Activity Mapping.

Sanghoon Lee1, Jeffrey A van Santen1, Nima Farzaneh1

  • 1Department of Chemistry, Simon Fraser University, 8888 University Drive, Burnaby, British Columbia V5A 1S6, Canada.

ACS Central Science
|March 2, 2022
PubMed
Summary
This summary is machine-generated.

NP Analyst is a new online platform that integrates biological screening and mass spectrometry data for natural product discovery. It aids in identifying known and novel bioactive compounds from complex sample libraries.

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Area of Science:

  • Natural Products Chemistry
  • Bioinformatics
  • Drug Discovery

Background:

  • Integrating biological screening and mass spectrometry data is crucial for efficient natural product discovery.
  • Existing tools lack comprehensive integration capabilities for library-scale analysis.
  • Compound Activity Mapping (CAM) has shown promise in predicting bioactivity from screening data.

Purpose of the Study:

  • To introduce NP Analyst, an open online platform for Compound Activity Mapping.
  • To enable seamless integration of diverse bioassay data with mass spectrometry data.
  • To facilitate the dereplication of known compounds and discovery of novel bioactive natural products.

Main Methods:

  • NP Analyst accepts various bioassay data types.
  • It processes mass spectrometry data in mzML format from major manufacturers.
  • The platform integrates with MZmine 2 and GNPS for processed data analysis.

Main Results:

  • Demonstrated utility of NP Analyst for dereplication of known compounds.
  • Successfully identified novel bioactive natural products using the platform.
  • Validated the tool's effectiveness on a challenging low-resolution antimicrobial bioassay dataset.

Conclusions:

  • NP Analyst is a versatile and powerful tool for natural product discovery.
  • It enhances existing workflows by integrating screening and mass spectrometry data.
  • The platform is publicly available at www.npanalyst.org, promoting open science.