Advances in Near Infrared Spectroscopy and Related Computational Methods

Dear Colleagues,

In the last few decades, near-infrared (NIR) spectroscopy has distinguished itself as one of the most rapidly advancing spectroscopic techniques. Mainly known as an analytical tool useful for sample characterization and content quantification, NIR spectroscopy is essential in various other fields, e.g., NIR imaging techniques in biophotonics, medical applications or used for characterization of food products, to name the few. Its contribution in basic science and physical chemistry should be noted as well, i.e., in exploration of the nature of molecular vibrations or intermolecular interactions. One of the current development trends involves the miniaturization and simplification of instrumentation, creating prospects for the spread of NIR spectrometers at a consumer level, i.e., in the form of smartphone attachments—a breakthrough not yet accomplished by any other analytical technique. NIR spectroscopy has been developing in conjunction with advanced methods of data analysis; recent years have highlighted the role of anharmonic quantum mechanical computations in shedding light on the complex nature of NIR spectra as well.

The importance of NIR spectroscopy is well demonstrated by a remarkable amount of highly appealing scientific papers being published every year. At the same time, a growing diversity in the related methods and applications has led to a dispersion of these contributions among disparate scientific communities. For this reason, we see a need to create the present Special Issue with aim to bring together these communities which may be perceiving NIR spectroscopy from different perspectives.

For the readership, this Special Issue will provide a remarkable opportunity to obtain more easily an overview of state-of-the-art NIR spectroscopy, its history, current development trends and future prospects. For the authors, it will offer an appropriate occasion to make their results and techniques more visible, and to present the most recent accomplishments in their respective fields which have become possible with the use of NIR spectroscopy. This Special Issue will contain contributions discussing all the mentioned aspects in a broad context of NIR spectroscopy and the relevant computational methods. Review articles by experts in the field will also be welcome.

Besides, research topics not directly focused on near-infrared region, which however remain relevant by employing the methodologies essential in near-infrared spectroscopy are also welcome. This includes but is not limited to, e.g. anharmonic quantum mechanical methods, spectra simulation, hyper-spectral imaging techniques, spectral image processing, spectral data analysis, chemometrics.

Prof. Dr. Christian Huck
Dr. Krzysztof B. Bec
Guest Editors

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