@conference {441, title = {Anisotropic Terahertz Microscopy of Lysozyme in Different CrystalLattice Systems}, booktitle = {Biophysical Journal}, year = {2021}, month = {02/2021}, abstract = {

Long-range vibrational modes of proteins at terahertz (THz) frequencies havebeen associated with protein function and allosteric control. The characteriza-tion of these motions has been challenging due to energy overlap with waterabsorption and a large vibrational density of states. Recently it has been demon-strated both experimentally and theoretically that vibrational bands can be iso-lated using stationary sample anisotropic terahertz microscopy (SSTAM) fororiented samples, typically realized using protein crystals [1, 2]. In those earlymeasurements, inhibitor binding contrast was demonstrated for high symmetrytetragonal crystals. While high symmetry crystals are ideal for structural deter-minations, they can limit the types of vibrations observable in the ATM mea-surements. Here we show a survey of ATM measurements of triclinic,monoclinic and tetragonal crystals, demonstrating the unique signaturesobservable for the different symmetry groups, leading to a more completedetermination of the vibrational hot spots that may contribute to enzymatic ef-ficiency. The SSATM spectra indicate the presence of conserved vibrationalmodes near 40 cm-1 and 55 cm-1 for CEWL in triclinic, monoclinic and tetrag-onal lattice systems respectively. For CEWL in the monoclinic lattice system, aprominent band at 20cm1was consistently observed in the SSATM spectrabut not in the triclinic or tetragonal systems. The conserved bands may repre-sent vibrational modes that are unperturbed by crystal contact forces while thedifferences may be related to unique molecular orientation in different crystalsystems.


1.Niessen, K., Y. Deng, and A.G. Markelz,Near-field THz micropo-larimetry.Opt Express, 2019.27(20): p. 28036-28047.

2.Romo, T.D., A.Grossfield, and A.G. MarkelzPersistent Protein Motions in a RuggedEnergy Landscape Revealed by Normal Mode Ensemble Analysis. AcceptedJournal of Chemical Information and Modeling, 2020.

}, doi = {10.1016/j.bpj.2020.11.972}, url = {https://www.cell.com/biophysj/fulltext/S0006-3495(20)31879-8}, author = {McKinney, J. A. and George, D. K. and Deng, Y. and Markelz, A. G.} } @article {559, title = {Apparatus and method for analyzing a sample }, year = {2021}, publisher = {USPTO}, address = {United States}, abstract = {
An apparatus and method for Crystal Anisotropy Terahertz Microscopy ({\textquotedblleft}CATM{\textquotedblright}) is provided. The apparatus includes an emitter configured to emit a THz pulse and a detector configured to detect the THz pulse after the pulse is transmitted through a sample disposed on a sample surface of the detector. A pulsed radiation generator generates a probe beam to interrogate the detector. The detector may include an electro-optical ({\textquotedblleft}EO{\textquotedblright}) crystal configured to change in birefringence according to the THz pulse. The sample surface of the detector may have a dielectric coating which is transmissive to THz and reflective to the probe beam. The sample is disposed on the dielectric coating.
}, issn = {11,125,685}, url = {https://patents.google.com/patent/US11125685B2/en}, author = {Markelz, Andrea G and Acbas, Gheorghe and Niessen, Katherine A.} } @proceedings {299, title = {Angular Distortion Removal of THz Anisotropic Dichroism Microscope}, year = {2019}, month = {2019}, pages = {1 - 2}, address = {Paris, France}, abstract = {

We have developed a stationary sample THz anisotropic dichroism microscope as a powerful tool for material characterization. The key innovation is the use of an iso-response curve defined by the terahertz and detection light polarizations. Here we show that following a continuous iso-response curve introduces angular distortion in the spectrum, and this distortion can be eliminated by using a discontinuous iso-response angle pairs avoiding large gradient regions. Employing this additional constraint on the relative polarizations provides a convenient technique for rapid anisotropic terahertz spectroscopy.

}, keywords = {absorption, angular distortion removal, Biomedical measurement, continuous iso-response curve, detection light polarizations, discontinuous iso-response angle pairs, Distortion, light polarisation, material characterization, Microscopy, proteins, rapid anisotropic terahertz spectroscopy, relative polarizations, spectroscopy, stationary sample, terahertz spectroscopy, terahertz wave spectra, THz anisotropic dichroism microscope, vibrations}, isbn = {2162-2035}, doi = {10.1109/IRMMW-THz.2019.8873793}, url = {https://ieeexplore.ieee.org/document/8873793}, author = {Y. Deng and K. Niessen and A. Markelz} } @proceedings {235, title = {Anisotropic Terahertz Microscopy of Protein Collective Vibrations: Crystal Symmetry and Hydration Dependence}, year = {2019}, note = {ISI Document Delivery No.: BQ4OX
Times Cited: 0
Cited Reference Count: 4
Cited References:
Acbas G, 2014, NAT COMMUN, V5, DOI 10.1038/ncomms4076
Legrand L, 2002, ACTA CRYSTALLOGR D, V58, P1564, DOI 10.1107/S0907444902014403
Niessen KA, 2019, NAT COMMUN, V10, DOI 10.1038/s41467-019-08926-3
Niessen KA, 2017, BIOPHYS J, V112, P933, DOI 10.1016/j.bpj.2016.12.049
McKinney, Jeffrey Deng, Yanting Sharma, Akansha George, D. K. Markelz, A. G.
Irmmw-thz
Proceedings Paper
44th International Conference on Infrared, Millimeter, and Terahertz Waves (IRMMW-THz)
Sep 01-06, 2019
Paris, FRANCE
Lytid, TYDEX, Swiss Terahertz, Fondat Maison Chimie, CNRS, Lab Physique ENS, Li2S, LUNA, MenloSystems, ENS, PSL Univ Paris, FYLA, ADVANTEST, Springer Nature, Soc Francaise Physique, Sorbonne Univ, Int Soc Infrared Millimeter \& Terahertz Waves, IEEE, GDR NANO THz MIR
NSFNational Science Foundation (NSF) [DBI 1556359, MCB 1616529]; DOEUnited States Department of Energy (DOE) [DE-SC0016317]; NIHUnited States Department of Health \& Human ServicesNational Institutes of Health (NIH) - USA [STTR R41 GM125486]
This work is supported by NSF grants DBI 1556359 and MCB 1616529, DOE grant DE-SC0016317 and NIH STTR R41 GM125486.
345 e 47th st, new york, ny 10017 usa
2162-2027}, publisher = {Ieee}, address = {New York}, abstract = {

A stationary sample anisotropic terahertz microscopy technique is used to characterize the intramolecular vibrations for lysozyme. Tetragonal and triclinic crystals are compared. We find excellent reproducibility within a single crystal symmetry group. Several resonant bands are present for both symmetry groups, indicating they originate with the intramolecular vibrations and not crystal lattice phonons. Bands become more pronounced and higher frequency resonant bands begin to emerge with slight dehydration.

}, isbn = {978-1-5386-8285-2}, doi = {https://doi.org/10.1109/IRMMW-THz.2019.8873722}, author = {McKinney, J. and Deng, Y. T. and Sharma, A. and George, D. K. and Markelz, A. G.} } @proceedings {246, title = {Anisotropic Absorption Measurements Reveal Protein Dynamical Transition in Intramolecular Vibrations}, year = {2016}, note = {ISI Document Delivery No.: BG7KC
Times Cited: 0
Cited Reference Count: 4
Cited References:
Acbas G, 2014, NAT COMMUN, V5, DOI 10.1038/ncomms4076
Niessen K., 2015, BIOPHYSICAL REV
PETHIG R, 1995, PROTEIN SOLVENT INTE, P265
RUPLEY JA, 1991, ADV PROTEIN CHEM, V41, P37
Xu, Mengyang Niessen, Katherine Michki, Nigel Deng, Yanting Snell, Edward Markelz, A. G.
Irmmw-thz
Proceedings Paper
41st International Conference on Infrared, Millimeter, and Terahertz Waves (IRMMW-THz)
Sep 25-30, 2016
Copenhagen, DENMARK
DTU, IEEE, QMC Instruments, Danish Ctr Laser Infrastructure, DTU Fotonik, Dept Photon Engn, ARL, Carl Sberg Fdn, AF Off Sci Res, Tech Univ Denmark, IEEE Microwave Theory \& Tech Soc, Azpect Photon, Ekspla, Hubner HF Syst Engn, I2S, Laser Quantum, Menlo Syst, Neaspec, Springer, TeraView, Virginia Diodes
Snell, Edward/G-2055-2018
Snell, Edward/0000-0001-8714-3191
345 e 47th st, new york, ny 10017 usa
2162-2027}, publisher = {Ieee}, address = {New York}, abstract = {

Modeling has predicted that intramolecular structural vibrations enables proteins to access functionally important structural change. We show that the vibrational density of states and the isotropic absorption in the terahertz range are only weakly dependent on the protein functional state for several bench marking proteins. At the same time the direction of motions changes dramatically with functional state and with a resulting impact on the anisotropic absorption. Our anisotropic THz microscopy (ATM) measurements confirm this sensitivity. Here we apply the technique to the question of whether the protein dynamical transition (DT) is important to protein function. We find a strong anisotropic resonance at 70 cm(-1) rapidly increases in strength at temperatures above the DT. As these intramolecular vibrations enable protein structure to change conformation, the results suggest function will cease below DT for those proteins that require large scale conformational change.

}, isbn = {978-1-4673-8485-8}, doi = {10.1109/IRMMW-THz.2016.7758347}, author = {Xu, M. Y. and Niessen, K. and Michki, N. and Deng, Y. T. and Snell, E. and Markelz, A. G.} }