PMID- 19733113
OWN - NLM
STAT- MEDLINE
DCOM- 20100225
LR  - 20090921
IS  - 1873-3557 (Electronic)
IS  - 1386-1425 (Linking)
VI  - 74
IP  - 3
DP  - 2009 Oct 15
TI  - Natural Logarithm Derivative Method: a novel and easy methodology for finding 
      maximums in overlapping experimental peaks.
PG  - 714-8
LID - 10.1016/j.saa.2009.08.002 [doi]
AB  - The method of the First Derivative usually fails to detect overlapped peaks, 
      especially when they appear as shoulders of the main one. Furthermore, the 
      determination of the position of the maximum with this method is based on a 
      single point, and it is highly dependent of the noise level of the experimental 
      data. In this work, we propose an easy method to accurately estimate peak 
      positions, based on a linearization of Gaussian curves. The method, which we 
      called Natural Logarithm Derivative Method (NLDM), is also able to detect to a 
      certain extent overlapping peaks, even when appearing as shoulders. Several 
      factors such as the Lorentzian influence in the peak shape, the experimental 
      error in the numerical calculations, or the minimum separation between peaks in 
      order to be properly resolved are studied. The method is assayed with real 
      samples, demonstrating the possibility of finding overlapping peaks in dyes, and 
      in mixtures of dyes.
FAU - Fernandez-Gonzalez, Alfonso
AU  - Fernandez-Gonzalez A
AD  - Department of Physical and Analytical Chemistry, University of Oviedo, 33006 
      Asturias, Spain. fernandezgalfonso@uniovi.es
FAU - Montejo-Bernardo, Jose Manuel
AU  - Montejo-Bernardo JM
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20090808
PL  - England
TA  - Spectrochim Acta A Mol Biomol Spectrosc
JT  - Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
JID - 9602533
SB  - IM
MH  - *Algorithms
MH  - Spectrum Analysis/*methods
EDAT- 2009/09/08 06:00
MHDA- 2010/02/26 06:00
CRDT- 2009/09/08 06:00
PHST- 2009/05/12 00:00 [received]
PHST- 2009/07/14 00:00 [revised]
PHST- 2009/08/02 00:00 [accepted]
PHST- 2009/09/08 06:00 [entrez]
PHST- 2009/09/08 06:00 [pubmed]
PHST- 2010/02/26 06:00 [medline]
AID - S1386-1425(09)00352-7 [pii]
AID - 10.1016/j.saa.2009.08.002 [doi]
PST - ppublish
SO  - Spectrochim Acta A Mol Biomol Spectrosc. 2009 Oct 15;74(3):714-8. doi: 
      10.1016/j.saa.2009.08.002. Epub 2009 Aug 8.