Ab Initio QM/MM Modeling of the Rate-Limiting Proton Transfer Step in the Deamination of Tryptamine by Aromatic Amine Dehydrogenase

Autor: Kittusamy Senthilkumar, Nigel S. Scrutton, Laura Masgrau, Jeremy N. Harvey, Kara E. Ranaghan, Frederick R. Manby, William G. Morris, Adrian J. Mulholland, Linus O. Johannissen

Publikováno v: Ranaghan, K, Mulholland, A, Harvey, J, Manby, F, Scrutton, N, Senthilkumar, K, Morris, W, Johannissen, L & Masgrau, L 2017, ' Ab Initio QM/MM Modeling of the Rate-Limiting Proton Transfer Step in the Deamination of Tryptamine by Aromatic Amine Dehydrogenase ', Journal of Physical Chemistry B, vol. 121, no. 42, pp. 9785–9798 . https://doi.org/10.1021/acs.jpcb.7b06892
Ranaghan, K E, Morris, W G, Masgrau, L, Senthilkumar, K, Johannissen, L O, Scrutton, N S, Harvey, J N, Manby, F R & Mulholland, A J 2017, ' Ab Initio QM/MM Modeling of the Rate-Limiting Proton Transfer Step in the Deamination of Tryptamine by Aromatic Amine Dehydrogenase ', Journal of Physical Chemistry B, vol. 121, no. 42, pp. 9785-9798 . https://doi.org/10.1021/acs.jpcb.7b06892

Aromatic amine dehydrogenase (AADH) and related enzymes are at the heart of debates on the roles of quantum tunneling and protein dynamics in catalysis. The reaction of tryptamine in AADH involves significant quantum tunneling in the rate-limiting pr

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b3107c0be70ff08148bf7e23e274d7c9
https://doi.org/10.1021/acs.jpcb.7b06892

Towards high-speed imaging of infrared photons with bio-inspired nanoarchitectures

Autor: Cheryl Margaret Surman, Sergiy Zalyubovskiy, William G. Morris, Tao Deng, Andrew David Pris, Alexey Vert, Yogen Vishwas Utturkar, Radislav A. Potyrailo, Helen Ghiradella

Publikováno v: Nature Photonics. 6:195-200

Inspired by thermal expansion and refractive index changes in the nanostructures of iridescent Morpho butterfly scales, scientists demonstrate upconverted mid-wave infrared detection with a temperature sensitivity of 18–62 mK and a heat-sink-free r

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::68462e96b517d573c740bd67cc877d24
https://doi.org/10.1038/nphoton.2011.355

Combinatorial Screening of Polymeric Sensing Materials Using RFID Sensors: Combined Effects of Plasticizers and Temperature

Autor: William G. Morris, Radislav A. Potyrailo, Cheryl Margaret Surman

Publikováno v: Journal of Combinatorial Chemistry. 11:598-603

Recently, we have developed battery-free, passive RFID chemical and biological sensors that are attractive in diverse applications where sensor performance is needed at a low cost and when battery-free operation is critical. In this study, we apply t

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::85a427bea161eb9151f2960e5eaf1a58
https://doi.org/10.1021/cc900001n

Chemical Sensors Based on Micromachined Transducers with Integrated Piezoresistive Readout

Autor: Sisira Kankanam Gamage, William G. Morris, Andrew Michael Leach, Radislav A. Potyrailo

Publikováno v: Analytical Chemistry. 78:5633-5638

We demonstrate an approach for the development of chemical sensors utilizing silicon micromachined physical transducers with integrated piezoresistive readout. Originally, these transducers were developed and optimized as sensitive accelerometers for

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8c838a0d6a03b64bc43c5e610644e845
https://doi.org/10.1021/ac052086q

High-Throughput Determination of Quantitative Structure−Property Relationships Using a Resonant Multisensor System: Solvent Resistance of Bisphenol A Polycarbonate Copolymers

Autor: William G. Morris, and Ronald J. Wroczynski, Patrick Joseph Mccloskey, Radislav A. Potyrailo

Publikováno v: Analytical Chemistry. 78:3090-3096

Polymers are important materials for sensor, microfluidic, and other demanding applications. High-throughput screening methodology has been applied for the evaluation of the solvent resistance of a family of polycarbonate copolymers prepared from the

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::25848e66592b0fb7ea4bd0477eca268e
https://doi.org/10.1021/ac0519662