Direct Optical Detection in Bioanalytics

Gauglitz, Güenter; Goddard, N J

doi:10.1002/9783527654703.ch29

Cited by 4 publications

(10 citation statements)

References 225 publications

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“…This mode appears between 30 and 155 cm −1 . Since 1 possesses C 2h symmetry and normal mode 2 is of A g symmetry (Table 1), the pnicogen stretching mode is infrared inactive according to the selection rules [16]. The calculated Raman spectrum of 1 (Figure 4) reveals that the intensity of frequency ω 2 (shown in red) is too small to be a useful test-probe.…”

Section: Resultsmentioning

confidence: 98%

“…There are 4 PH stretching modes (15)(16)(17)(18), the 2 PF stretching modes (7,8) and the 6 monomer bending modes (9)(10)(11)(12)(13)(14) where each of these normal modes is a combination of at least 4 local modes with varying contributions. Of special interest are the 6 modes with the lowest frequencies because they correspond to the intermonomer vibrations (see Figure 2), which can provide detailed information about pnicogen bonding.…”

Section: Resultsmentioning

confidence: 99%

“…The orientation of polarization is measured using a plane-polarized laser excitation and a polarizer measuring the intensity of Raman scattered light parallel and perpendicular to the polarization plane. Then, the Raman depolarization ratio is calculated as the intensity ratio I perpendicular /I parallel [16]. Symmetric vibrations give rise to polarized or partially polarized Raman lines whereas non-symmetric molecules give depolarized lines.…”

Section: Resultsmentioning

confidence: 99%

“…Beside complex binding energy, geometry, and vibrational frequencies, infrared and Raman spectra including the Raman depolarization ratio [16] were calculated. The local vibrational modes were derived according to Konkoli and Cremer [18,29] where the relationship between normal and local vibrational frequencies was determined with the adiabatic connection scheme (ACS) [30,31].…”

Section: Methodsmentioning

confidence: 99%

“…There is a pressing need to identify and characterize pnicogen bonding more directly utilizing modern spectroscopic methods. Terahertz spectroscopy [14,15] or depolarized Raman scattering [16] are promising experimental tools, which can measure vibrational frequencies down to 50 cm −1 . This is a prerequisite to record the intermonomer frequencies of a pnicogen-bonded dimer.…”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

Description of pnicogen bonding with the help of vibrational spectroscopy—The missing link between theory and experiment

Setiawan

Kraka

2014

Chemical Physics Letters

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Section: Resultsmentioning

confidence: 98%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Description of pnicogen bonding with the help of vibrational spectroscopy—The missing link between theory and experiment

Setiawan

Kraka

2014

Chemical Physics Letters

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Critical assessment of relevant methods in the field of biosensors with direct optical detection based on fibers and waveguides using plasmonic, resonance, and interference effects

Gauglitz

2020

Anal Bioanal Chem

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Direct optical detection has proven to be a highly interesting tool in biomolecular interaction analysis to be used in drug discovery, ligand/receptor interactions, environmental analysis, clinical diagnostics, screening of large data volumes in immunology, cancer therapy, or personalized medicine. In this review, the fundamental optical principles and applications are reviewed. Devices are based on concepts such as refractometry, evanescent field, waveguides modes, reflectometry, resonance and/or interference. They are realized in ring resonators; prism couplers; surface plasmon resonance; resonant mirror; Bragg grating; grating couplers; photonic crystals, Mach-Zehnder, Young, Hartman interferometers; backscattering; ellipsometry; or reflectance interferometry. The physical theories of various optical principles have already been reviewed in detail elsewhere and are therefore only cited. This review provides an overall survey on the application of these methods in direct optical biosensing. The "historical" development of the main principles is given to understand the various, and sometimes only slightly modified variations published as "new" methods or the use of a new acronym and commercialization by different companies. Improvement of optics is only one way to increase the quality of biosensors. Additional essential aspects are the surface modification of transducers, immobilization strategies, selection of recognition elements, the influence of non-specific interaction, selectivity, and sensitivity. Furthermore, papers use for reporting minimal amounts of detectable analyte terms such as value of mass, moles, grams, or mol/L which are difficult to compare. Both these essential aspects (i.e., biochemistry and the presentation of LOD values) can be discussed only in brief (but references are provided) in order to prevent the paper from becoming too long. The review will concentrate on a comparison of the optical methods, their application, and the resulting bioanalytical quality.

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Calibration of spectra in presence of non-stationary background using unsupervised physics-informed deep learning

Puleio

Rossi

Gaudio

2023

Sci Rep

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Calibration is a key part of the development of a diagnostic. Standard approaches require the setting up of dedicated experiments under controlled conditions in order to find the calibration function that allows one to evaluate the desired information from the raw measurements. Sometimes, such controlled experiments are not possible to perform, and alternative approaches are required. Most of them aim at extracting information by looking at the theoretical expectations, requiring a lot of dedicated work and usually involving that the outputs are extremely dependent on some external factors, such as the scientist experience. This work presents a possible methodology to calibrate data or, more generally, to extract the information from the raw measurements by using a new unsupervised physics-informed deep learning methodology. The algorithm allows to automatically process the data and evaluate the searched information without the need for a supervised training by looking at the theoretical expectations. The method is examined in synthetic cases with increasing difficulties to test its potentialities, and it has been found that such an approach can also be used in very complex behaviours, where human-drive results may have huge uncertainties. Moreover, also an experimental test has been performed to validate its capabilities, but also highlight the limits of this method, which, of course, requires particular attention and a good knowledge of the analysed phenomena. The results are extremely interesting, and this methodology is believed to be applied to several cases where classic calibration and supervised approaches are not accessible.

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Direct Optical Detection in Bioanalytics

Cited by 4 publications

References 225 publications

Description of pnicogen bonding with the help of vibrational spectroscopy—The missing link between theory and experiment

Description of pnicogen bonding with the help of vibrational spectroscopy—The missing link between theory and experiment

Critical assessment of relevant methods in the field of biosensors with direct optical detection based on fibers and waveguides using plasmonic, resonance, and interference effects

Calibration of spectra in presence of non-stationary background using unsupervised physics-informed deep learning

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