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Articles 1 - 6 of 6
Full-Text Articles in Biological and Chemical Physics
The Infrared Absorption Spectrum Of Phenylacetylene And Its Deuterated Isotopologue In The Mid- To Far-Ir, Vincent J. Esposito, Pierro Ferrari, Wybren Jan Buma, Ryan C. Fortenberry, Christiaan Boersma, Alessandra Candian, Alexander G. G. M. Tielens
The Infrared Absorption Spectrum Of Phenylacetylene And Its Deuterated Isotopologue In The Mid- To Far-Ir, Vincent J. Esposito, Pierro Ferrari, Wybren Jan Buma, Ryan C. Fortenberry, Christiaan Boersma, Alessandra Candian, Alexander G. G. M. Tielens
Biology, Chemistry, and Environmental Sciences Faculty Articles and Research
Anharmonicity strongly influences the absorption and emission spectra of polycyclic aromatic hydrocarbon (PAH) molecules. Here, IR–UV ion-dip spectroscopy experiments together with detailed anharmonic computations reveal the presence of fundamental, overtone, as well as 2- and 3-quanta combination band transitions in the far- and mid-infrared absorption spectra of phenylacetylene and its singly deuterated isotopologue. Strong absorption features in the 400–900 cm−1 range originate from CH(D) in-plane and out-of-plane wags and bends, as well as bending motions including the C≡C and CH bonds of the acetylene substituent and the aromatic ring. For phenylacetylene, every absorption feature is assigned either directly or …
Anharmonicity And Deuteration In The Ir Absorption And Emission Spectra Of Phenylacetylene, Vincent J. Esposito, Pierro Ferrari, Wybren Jan Buma, Christiaan Boersma, Cameron J. Mackie, Alessandra Candian, Ryan C. Fortenberry, Alexander G. G. M. Tielens
Anharmonicity And Deuteration In The Ir Absorption And Emission Spectra Of Phenylacetylene, Vincent J. Esposito, Pierro Ferrari, Wybren Jan Buma, Christiaan Boersma, Cameron J. Mackie, Alessandra Candian, Ryan C. Fortenberry, Alexander G. G. M. Tielens
Biology, Chemistry, and Environmental Sciences Faculty Articles and Research
Anharmonic cascade emission simulations, herein evinced by full reproduction and deep insights into recent emission spectroscopy experiments of phenylacetylene, are integral to the future successful analysis of JWST observational spectra. Experimental infrared absorption experiments conducted in this study reveal a complex spectrum dominated by quantum effects that are uncovered by anharmonic computational analysis. From this work, it becomes clear that phenylacetylene exhibits strong resonance coupling between fundamental and two-quanta combination modes as well as giving indication for coupling with higher-order, three-quanta combination bands. This study benchmarks the development of advanced computational methods that will be extended to larger systems of …
Biomedical Applications Of Vibrational Spectroscopy: Oral Cancer Diagnostics, Hugh Byrne, Isha Behl, Genecy Calado, Ola Ibrahim, M. Toner, Sheila Galvin, Claire M. Healy, Steven Flint, Fiona Lyng
Biomedical Applications Of Vibrational Spectroscopy: Oral Cancer Diagnostics, Hugh Byrne, Isha Behl, Genecy Calado, Ola Ibrahim, M. Toner, Sheila Galvin, Claire M. Healy, Steven Flint, Fiona Lyng
Articles
Vibrational spectroscopy, based on either infrared absorption or Raman scattering, has attracted increasing attention for biomedical applications. Proof of concept explorations for diagnosis of oral potentially malignant disorders and cancer are reviewed, and recent advances critically appraised. Specific examples of applications of Raman microspectroscopy for analysis of histological, cytological and saliva samples are presented for illustrative purposes, and the future prospects, ultimately for routine, chairside in vivo screening are discussed.
Fluorine Chemistry At Extreme Conditions: Possible Synthesis Of Hgf4, Michael G. Pravica, Sarah Schyck, Blake Harris, Petrika Cifligu, Eunja Kim, Brant Billinghurst
Fluorine Chemistry At Extreme Conditions: Possible Synthesis Of Hgf4, Michael G. Pravica, Sarah Schyck, Blake Harris, Petrika Cifligu, Eunja Kim, Brant Billinghurst
Physics & Astronomy Faculty Research
By irradiating a pressurized mixture of a fluorine-bearing compound (XeF2XeF2) and HgF2HgF2 with synchrotron hard x-rays ... (See full text for complete abstract)
Recent Advances In Optical Diagnosis Of Oral Cancers: Review And Future Perspectives, Ola Ibrahim, Hugh Byrne, Fiona Lyng, Surya Singh, Jopi Mikkonen, Arto Koistinen, Arja Kullaa
Recent Advances In Optical Diagnosis Of Oral Cancers: Review And Future Perspectives, Ola Ibrahim, Hugh Byrne, Fiona Lyng, Surya Singh, Jopi Mikkonen, Arto Koistinen, Arja Kullaa
Articles
Optical diagnosis techniques offer several advantages over traditional approaches, including objectivity, speed and cost, and these label-free, non-invasive methods have the potential to change the future work-flow of cancer management. The oral cavity is particularly accessible and thus such methods may serve as alternate/adjunct tools to traditional methods. Recently, in vivo human clinical studies have been initiated with a view to clinical translation of such technologies. A comprehensive review of optical methods in oral cancer diagnosis is presented. Following an introduction to the epidemiology and aetiological factors associated with oral cancers currently employed diagnostic methods and their limitations are presented. …
Spectropathology For The Next Generation: Quo Vadis?, Hugh Byrne, Malgorzata Baranska, Gerwin J. Pupples, Nick Stone, Bayden Wood, Kathleen M. Gough, Peter Lasch, Phil Heraud, Josep Sulé-Suso, Ganesh Sockalingum
Spectropathology For The Next Generation: Quo Vadis?, Hugh Byrne, Malgorzata Baranska, Gerwin J. Pupples, Nick Stone, Bayden Wood, Kathleen M. Gough, Peter Lasch, Phil Heraud, Josep Sulé-Suso, Ganesh Sockalingum
Articles
Although the potential of vibrational spectroscopy for biomedical applications has been well demonstrated, translation into clinical practice has been relatively slow. This Editorial assesses the challenges facing the field and the potential way forward. While many technological challenges have been addressed to date, considerable effort is still required to gain acceptance of the techniques among the medical community, standardise protocols, extend to a clinically relevant scale, and ultimately assess the health economics underlying clinical deployment. National and international research networks can contribute much to technology development and standardisation. Ultimately, large-scale funding is required to engage in clinical trials and instrument …