Enhancing a leaf radiative transfer model to estimate concentrations and in vivo specific absorption coefficients of total carotenoids and chlorophylls a and b from single-needle reflectance and transmittance

The relative concentrations of different pigments within a leaf have significant physiological and spectral consequences. Photosynthesis, light use efficiency, mass and energy exchange, and stress response are dependent on relationships among an ensemble of pigments. This ensemble also determines the visible characteristics of a leaf, which can be measured remotely and used to quantify leaf biochemistry and structure. But current remote sensing approaches are limited in their ability to resolve individual pigments. This paper focuses on the incorporation of three pigments—chlorophyll a, chlorophyll b, and total carotenoids—into the LIBERTY leaf radiative transfer model to better understand relationships between leaf biochemical, biophysical, and spectral properties.Pinus ponderosa and Pinus jeffreyi needles were collected from three sites in the California Sierra Nevada. Hemispheric single-leaf visible reflectance and transmittance and concentrations of chlorophylls a and b and total carotenoids of fresh needles were measured. These data were input to the enhanced LIBERTY model to estimate optical and biochemical properties of pine needles. The enhanced model successfully estimated reflectance (RMSE = 0.0255, BIAS = 0.00477, RMS%E = 16.7%), had variable success estimating transmittance (RMSE = 0.0442, BIAS = 0.0294, RMS%E = 181%), and generated very good estimates of carotenoid concentrations (RMSE = 2.48 µg/cm², BIAS = 0.143 µg/cm², RMS%E = 20.4%), good estimates of chlorophyll a concentrations (RMSE = 10.7 µg/cm², BIAS = − 0.992 µg/cm², RMS%E = 21.1%), and fair estimates of chlorophyll b concentrations (RMSE = 7.49 µg/cm², BIAS = − 2.12 µg/cm², RMS%E = 43.7%). Overall root mean squared errors of reflectance, transmittance, and pigment concentration estimates were lower for the three-pigment model than for the single-pigment model. The algorithm to estimate three in vivo specific absorption coefficients is robust, although estimated values are distorted by inconsistencies in model biophysics. The capacity to invert the model from single-leaf reflectance and transmittance was added to the model so it could be coupled with vegetation canopy models to estimate canopy biochemistry from remotely sensed data.