Method for Automatic Generation of Indirect Hard Models using crossvalidation (MAGIC) for the spectral analysis of mixture spectra

A “big-data” algorithm for KNN-PLS

(2020) Maxime Metz et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Automated Physical Property Measurements from Calibration to Data Analysis: Microfluidic Platform for Liquid–Liquid Equilibrium Using Raman Microspectroscopy

(2019) Julia Thien et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Quaternary isothermal vapor-liquid equilibrium of the model biofuel 2-butanone + n -heptane + tetrahydrofuran + cyclohexane using Raman spectroscopic characterization

(2018) Bastian Liebergesell et al.   FLUID PHASE EQUILIBRIA

Investigating phase separation in amorphous solid dispersions via Raman mapping

(2018) Christian Luebbert et al.   INTERNATIONAL JOURNAL OF PHARMACEUTICS

Determination of water solubility in supercritical CO2 from 313.15 to 473.15 K and from 10 to 50 MPa by in-situ quantitative Raman spectroscopy

(2018) Zhe Wang et al.   FLUID PHASE EQUILIBRIA

Efficient Determination of Liquid–Liquid Equilibria Using Microfluidics and Raman Microspectroscopy

(2017) Julia Thien et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

“Click” analytics for “click” chemistry – A simple method for calibration–free evaluation of online NMR spectra

(2017) Aleksandra Michalik-Onichimowska et al.   JOURNAL OF MAGNETIC RESONANCE

Multicomponent diffusion coefficients from microfluidics using Raman microspectroscopy

(2017) Christine Peters et al.   LAB ON A CHIP

In-line Monitoring of Monomer and Polymer Content During Microgel Synthesis Using Precipitation Polymerization via Raman Spectroscopy and Indirect Hard Modeling

(2016) Julian Meyer-Kirschner et al.   APPLIED SPECTROSCOPY

Model-free calibration of Raman measurements of reactive systems: Application to monoethanolamine/water/CO2

(2016) Peter Beumers et al.   FLUID PHASE EQUILIBRIA

Feasibility of the Simultaneous Determination of Monomer Concentrations and Particle Size in Emulsion Polymerization Using in Situ Raman Spectroscopy

(2015) Claudia Houben et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Fast real-time monitoring of entacapone crystallization and characterization of polymorphs via Raman spectroscopy, statistics and SWAXS

(2014) Tomislav Jednačak et al.   ACTA PHARMACEUTICA

Quantitative Raman spectroscopic investigation of geo-fluids high-pressure phase equilibria: Part I. Accurate calibration and determination of CO2 solubility in water from 273.15 to 573.15K and from 10 to 120MPa

(2014) Huirong Guo et al.   FLUID PHASE EQUILIBRIA

Non-linear calibration models for near infrared spectroscopy

(2013) Wangdong Ni et al.   ANALYTICA CHIMICA ACTA

Application of ATR-MIR spectroscopy in the pilot plant—Scope and limitations using the example of Paracetamol crystallizations

(2013) Lydia Helmdach et al.   CHEMICAL ENGINEERING AND PROCESSING

Temperature-Dependent Diffusion Coefficients from 1D Raman Spectroscopy

(2013) Christine Blesinger et al.   JOURNAL OF SOLUTION CHEMISTRY

Concentration Measurements in Ionic Liquid–Water Mixtures by Mid-Infrared Spectroscopy and Indirect Hard Modeling

(2012) Jörn Viell et al.   APPLIED SPECTROSCOPY

Process and reaction monitoring by low-field NMR spectroscopy

(2011) Franz Dalitz et al.   PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY

Identification of unknown pure component spectra by indirect hard modeling

(2008) E. Kriesten et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Fully automated indirect hard modeling of mixture spectra

(2007) E. Kriesten et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS