红外谱混合物解卷积

IR Spectroscopic Mixture Deconvolution

Introduction

Deconvolution  of  mixtures  using  various  spectroscopic techniques  is  a  challenging  task.  Manual  separation  of spectral components, even when they are known in advance, is  a  tedious  job.     Bio-Rad  has  been  researching  the automation  of  spectroscopic  analysis  utilizing  computer technologies.  Spectral search against a large data collection is an obvious method.  However, the spectrum of an unknown mixture rarely exists in a collection of reference spectra.  A component can be missed as a candidate when its reference spectrum is not one of the top hits. Spectral deduction is often used for separating known from unknown, which depends as much on the availability of reference spectra as it does on a user’s skill.

Alternatively,  one  can  associate  a  functional  group  with spectral peaks.  This is an additive approach whose success depends  on  a  knowledge  base  that  may  not  provide  a complete picture of the unknown.

Conclusion

These case studies show the advantages of KnowItAll Mixture Analysis   over   traditional   methodologies.       Bio-Rad’s extensive tests have proven it to be an accurate and effective technique     for     rapid     and     reliable     spectroscopic component deconvolution.