Results 161 to 170 of about 11,476,496 (285)

Perspectives of High‐Resolution Mass Spectrometry in Soil Science

open access: yesJournal of Plant Nutrition and Soil Science, EarlyView.
ABSTRACT Soil biogeochemical research requires specific, sensitive, and accurate methods to identify and quantify organic molecules in order to trace biochemical processes and assess element cycling in complex, heterogenous systems. High‐resolution mass spectrometry (HRMS) has evolved into a transformative tool for unraveling the complex chemical ...
Bruno Glaser   +11 more
wiley   +1 more source

Models of DG‐Carbon Bands in Raman Spectra: Effects of Basis Functions and Initial Values on the Uniqueness and S/N of Fits Obtained for Atmospheric Aerosol Using Automated Methods

open access: yesJournal of Raman Spectroscopy, EarlyView.
Raman spectra containing D/G features are fit using combinations of basis functions and initial conditions. Fits with two Lorentzian functions converged to a single optimized fit even with variation of initial peak positions. For five‐band fits, sometimes the final fit varied with initial conditions, and constraints on peak center position were ...
David C. Doughty, Steven C. Hill
wiley   +1 more source

Common‐Mode Rejection Shifted‐Excitation Raman Difference Spectroscopy (CMR‐SERDS) Preserves Broad Structure Predictive of Soil Organic Carbon

open access: yesJournal of Raman Spectroscopy, EarlyView.
Common‐mode rejection (CMR) is introduced as a physics‐motivated preprocessing method for shifted excitation Raman difference spectroscopy (SERDS) that removes the shared background of paired measurements while preserving the noncommon excitation‐dependent component. Applied to more than 900 North American soil samples, CMR improves soil organic carbon
Mahsa Zarei   +4 more
wiley   +1 more source

NTECARS: A Nonthermal Equilibrium CARS Spectra Fitting Code

open access: yesJournal of Raman Spectroscopy, EarlyView.
We present NTECARS, an open‐source code written in Julia for the calculation and fitting of CARS spectra under nonequilibrium conditions. Rovibrational distributions can be flexibly modeled and fitted for different use cases. The code currently implements CO2$$ \mathrm{C}{\mathrm{O}}_2 $$ and N2$$ {\mathrm{N}}_2 $$ molecules and is validated under ...
Christian A. Busch, Uwe Czarnetzki
wiley   +1 more source

Robust Spectroscopic Analysis Through Image‐Based Spectral Representation and Deep Learning Techniques

open access: yesJournal of Raman Spectroscopy, EarlyView.
This study addresses calibration drift in Raman spectroscopy by transforming 1D spectra into 2D spider plot images processed by pretrained convolutional neural networks. This visualization strategy effectively converts detrimental spectral wavenumber shifts into simple image rotations, allowing the deep learning model to maintain high classification ...
Azadeh Mokari   +2 more
wiley   +1 more source

Qualitative Analysis of Biogas by Raman Spectroscopy: Effect of Pressure on Major Components

open access: yesJournal of Raman Spectroscopy, EarlyView.
Raman spectra of major and selected minor biogas components were studied under pressures up to 100 bar. Pressure‐induced shifts and band broadening were quantified for methane, carbon dioxide, and nitrogen, while Raman spectra of ammonia and hydrogen sulfide are presented in the context of biogas quality monitoring.
Dominik Tománek   +2 more
wiley   +1 more source

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