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Clinical Research
Screening for inborn errors of metabolism
- A PCA analysis of > 400 newborn urine spectra: The normal distribution can clearly be seen in the upper left. Outliers in several directions are observed and can be assigned to disease specific compounds through the loadings plots by pattern matching to a reference compound spectral base.
NMR is extensively used in the toxicity screening of new drug candidates. NMR also can be help to diagnose metabolic disorders in newborns and children. With the advent of high throughput flow injection, NMR allows the measurement of several hundred urine samples per day and the cost per sample can be kept low, since no NMR tubes are needed any more and only a small amount of D2O is used per sample.
With the ability to acquire a large number of samples per day, also statistical evaluation of the samples is possible. A general statistical filter can be used to sort out diseased samples and how to identify the disease by means of NMR.
Having acquired a large number of normal newborn urines allows to build a model for classification of new samples. Such a general filter is established to differentiate normal from suspect samples.
Having the possibility to recognize anormal samples automatically, it is possible to cause an additional NMR experiment on the flight, that can give more structural information and by this confirm the molecules responsible for the deviation from the normals model and pointing to the disease.