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4. Time-resolved inner-shell photoelectron spectroscopy: from a bound molecule to an isolated atom

Author

Brauße, Felix, Goldsztejn, Gildas, Amini, Kasra, Boll, Rebecca, Bari, Sadia, Bomme, Cédric, Brouard, Mark, Burt, Michael, de Miranda, Barbara Cunha, Düsterer, Stefan, Erk, Benjamin, Géléoc, Marie, Geneaux, Romain, Gentleman, Alexander S., Guillemin, Renaud, Ismail, Iyas, Johnsson, Per, Journel, Loïc, Kierspel, Thomas, Köckert, Hansjochen, Küpper, Jochen, Lablanquie, Pascal, Lahl, Jan, Lee, Jason W. L., Mackenzie, Stuart R., Maclot, Sylvain, Manschwetus, Bastian, Mereshchenko, Andrey S., Mullins, Terence, Olshin, Pavel K., Palaudoux, Jérôme, Patchkovskii, Serguei, Penent, Francis, Piancastelli, Maria Novella, Rompotis, Dimitrios, Ruchon, Thierry, Rudenko, Artem, Savelyev, Evgeny, Schirmel, Nora, Techert, Simone, Travnikova, Oksana, Trippel, Sebastian, Underwood, Jonathan G., Vallance, Claire, Wiese, Joss, Simon, Marc, Holland, David M. P., Marchenko, Tatiana, Rouzée, Arnaud, and Rolles, Daniel

Subjects
Physics - Chemical Physics
Abstract

Due to its element- and site-specificity, inner-shell photoelectron spectroscopy is a widely used technique to probe the chemical structure of matter. Here we show that time-resolved inner-shell photoelectron spectroscopy can be employed to observe ultrafast chemical reactions and the electronic response to the nuclear motion with high sensitivity. The ultraviolet dissociation of iodomethane (CH$_3$I) is investigated by ionization above the iodine 4d edge, using time-resolved inner-shell photoelectron and photoion spectroscopy. The dynamics observed in the photoelectron spectra appear earlier and are faster than those seen in the iodine fragments. The experimental results are interpreted using crystal field and spin-orbit configuration interaction calculations, and demonstrate that time-resolved inner-shell photoelectron spectroscopy is a powerful tool to directly track ultrafast structural and electronic transformations in gas-phase molecules.

Published
2019
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6. Reflexes evoked by electrical vestibular stimulation and their clinical application

Author

Mackenzie, Stuart William

Subjects
612.8, GV Recreation Leisure, QM Human anatomy, QP Physiology, RF Otorhinolaryngology
Abstract

The vestibular system provides vital information about head position and motion; which is used for the control of balance through vestibulospinal reflexes. Chapter 2 explores the process of transforming head position to body coordinates, with and without vision. The results show when vision is available, the evoked response is less precise. Chapter 3 explores the transformation process before and after 60 days of bedrest. After this period of inactivity, participants swayed more, and their EVS-evoked sway response was less precise. This decrement in precision appears to begin recovery 6 days postbedrest. Chapter 4 focuses on vestibulo-ocular reflexes rather than postural reflexes. Electrical vestibular stimulation is used to evoke measurable torsional eye-movements. The magnitude of the response is modulated by stimulus frequency. Results suggest that CNS interprets electrical vestibular stimulation as a velocity signal rather than a position or acceleration signal. This technique is an ideal measure of pure vestibular function, Chapter 5 utilised the technique in a clinical environment. Vestibular schwannoma patients, with known unilateral vestibular deficit, were tested to identify if the proposed technique can detect this deficit. Results showed that asymmetries could be detected, and, the test may be more sensitive than previously used measures of vestibular asymmetries.

Published
2018

7. Coulomb explosion imaging of concurrent CH$_{2}$BrI photodissociation dynamics

Author

Burt, Michael, Boll, Rebecca, Lee, Jason W. L., Amini, Kasra, Köckert, Hansjochen, Vallance, Claire, Gentleman, Alexander S., Mackenzie, Stuart R., Bari, Sadia, Bomme, Cédric, Düsterer, Stefan, Erk, Benjamin, Manschwetus, Bastian, Müller, Erland, Rompotis, Dimitrios, Savelyev, Evgeny, Schirmel, Nora, Techert, Simone, Treusch, Rolf, Küpper, Jochen, Trippel, Sebastian, Wiese, Joss, Stapelfeldt, Henrik, de Miranda, Barbara Cunha, Guillemin, Renaud, Ismail, Iyas, Journel, Loïc, Marchenko, Tatiana, Palaudoux, Jérôme, Penent, Francis, Piancastelli, Maria Novella, Simon, Marc, Travnikova, Oksana, Brausse, Felix, Goldsztejn, Gildas, Rouzée, Arnaud, Géléoc, Marie, Geneaux, Romain, Ruchon, Thierry, Underwood, Jonathan, Holland, David M. P., Mereshchenko, Andrey S., Olshin, Pavel K., Johnsson, Per, Maclot, Sylvain, Lahl, Jan, Rudenko, Artem, Ziaee, Farzaneh, Brouard, Mark, and Rolles, Daniel

Subjects
Physics - Chemical Physics
Abstract

The dynamics following laser-induced molecular photodissociation of gas-phase CH$_{2}$BrI at 271.6 nm were investigated by time-resolved Coulomb explosion imaging using intense near-IR femtosecond laser pulses. The observed delay-dependent photofragment momenta reveal that CH$_{2}$BrI undergoes C-I cleavage, depositing 65.6% of the available energy into internal product states, and that absorption of a second UV photon breaks the C-Br bond of CH$_{2}$Br. Simulations confirm that this mechanism is consistent with previous data recorded at 248 nm, demonstrating the sensitivity of Coulomb explosion imaging as a real-time probe of chemical dynamics., Comment: 19 pages, 6 figures. Accepted for publication in Physical Review A

Published
2017
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8. Photofragmentation dynamics and dissociation energies of MoO and CrO

Author

Cooper, Graham A., Gentleman, Alexander S., Iskra, Andreas, and Mackenzie, Stuart R.

Subjects
Physics - Atomic and Molecular Clusters
Abstract

Neutral metal-containing molecules and clusters present a particular challenge to velocity map imaging techniques. Common methods of choice for producing such species such as laser ablation or magnetron sputtering typically generate a wide variety of metal-containing species and, without the possibility of mass-selection, even determining the identity of the dissociating moiety can be challenging. In recent years, we have developed a velocity map imaging spectrometer equipped with a laser ablation source explicitly for studying neutral metal-containing species. Here, we report the results of velocity map imaging photofragmentation studies of MoO and CrO. In both cases, dissociation at the two- and three-photon level leads to fragmentation into a range of product channels, some of which can be confidently assigned to particular Mo (Cr) and O atom quantum states. Analysis of the kinetic energy release spectra as a function of photon energy allows precise determination of the ground state dissociation energies of MoO,respectively., Comment: 8 pages, 9 figures, Special JCP edition dedicated to VMI

Published
2017
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10. Singlet–triplet dephasing in radical pairs in avian cryptochromes leads to time-dependent magnetic field effects.

Author

Golesworthy, Matthew J., Zollitsch, Tilo, Luo, Jiate, Selby, Dan, Jarocha, Lauren E., Henbest, Kevin B., Paré-Labrosse, Olivier, Bartölke, Rabea, Schmidt, Jessica, Xu, Jingjing, Mouritsen, Henrik, Hore, P. J., Timmel, Christiane R., and Mackenzie, Stuart R.

Subjects
MAGNETIC field effects, HYPERFINE interactions, RADICALS (Chemistry), CAVITY-ringdown spectroscopy, CRYPTOCHROMES, SPIN crossover
Abstract

Cryptochrome 4a (Cry4a) has been proposed as the sensor at the heart of the magnetic compass in migratory songbirds. Blue-light excitation of this protein produces magnetically sensitive flavin–tryptophan radical pairs whose properties suggest that Cry4a could indeed be suitable as a magnetoreceptor. Here, we use cavity ring-down spectroscopy to measure magnetic field effects on the kinetics of these radical pairs in modified Cry4a proteins from the migratory European robin and from nonmigratory pigeon and chicken. B1/2, a parameter that characterizes the magnetic field-dependence of the reactions, was found to be larger than expected on the basis of hyperfine interactions and to increase with the delay between pump and probe laser pulses. Semiclassical spin dynamics simulations show that this behavior is consistent with a singlet–triplet dephasing (STD) relaxation mechanism. Analysis of the experimental data gives dephasing rate constants, rSTD, in the range 3–6 × 107 s−1. A simple "toy" model due to Maeda, Miura, and Arai [Mol. Phys. 104, 1779–1788 (2006)] is used to shed light on the origin of the time-dependence and the nature of the STD mechanism. Under the conditions of the experiments, STD results in an exponential approach to spin equilibrium at a rate considerably slower than rSTD. We attribute the loss of singlet–triplet coherence to electron hopping between the second and third tryptophans of the electron transfer chain and comment on whether this process could explain differences in the magnetic sensitivity of robin, chicken, and pigeon Cry4a's. [ABSTRACT FROM AUTHOR]

Published
2023
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11. Lengthening Behavior of Magnetically Controlled Growing Rods in Early-Onset Scoliosis: A Multicenter Study

Author

Heyer, Jessica H., Anari, Jason B., Baldwin, Keith D., Mitchell, Stuart L., Luhmann, Scott J., Sturm, Peter F., Flynn, John M., Cahill, Patrick J., Abdulfattah Abdullah, Abdullah Saad, Ahn, Edward, Akbarnia, Behrooz, Akoto, Harry, Albanese, Stephen, Anari, Jason, Anderson, John, Anderson, Richard, Andras, Lindsay, Bauer, Jennifer, Bellaire, Laura, Betz, Randy, Birch, Craig, Blakemore, Laurel, Boachie-Adjei, Oheneba, Bonfield, Chris, Bouton, Daniel, Brassard, Felix, Brockmeyer, Douglas, Brooks, Jaysson, Bumpass, David, Cahill, Pat, Chemaly, Olivier, Cheung, Jason, Cheung, Kenneth, Cho, Robert, Christman, Tyler, Beauchamp, Eduardo Colom, Couture, Daniel, Crawford, Haemish, Crawford, Alvin, Dahl, Benny, Demirkiran, Gokhan, Devito, Dennis, Diab, Mohammad, El Sebaie, Hazem, El-Hawary, Ron, Emans, John, Erickson, Mark, Fabregas, Jorge, Farley, Frances, Farrington, David, Fedorak, Graham, Fitzgerald, Ryan, Fletcher, Nicholas, Floccari, Lorena, Flynn, Jack, Gabos, Peter, Gardner, Adrian, Garg, Sumeet, Gerow, Frank, Glotzbecker, Michael, Gomez, Jaime, Gonda, David, Guillaume, Tenner, Gupta, Purnendu, Halvorson, Kyle, Hammerberg, Kim, Hardesty, Christina, Hedequist, Daniel, Heffernan, Michael, Heflin, John, Helenius, Ilkka, Herrera, Jose, Hogue, Grant, Holt, Josh, Howard, Jason, Hresko, Michael Timothy, Hwang, Steven, Ihnow, Stephanie, Ilharreborde, Brice, Illingworth, Kenneth, Jain, Viral, Jea, Andrew, Johnson, Megan, Johnston, Charles, Jones, Morgan, Karlen, Judson, Karlin, Lawrence, Katz, Danielle, Kawakami, Noriaki, Kelly, Brian, Kelly, Derek, Knapp, Raymond, Koljonen, Paul, Kwan, Kenny, Labelle, Hubert, Lark, Robert, Larson, A. Noelle, Lavelle, William, Lenke, Lawrence, Lew, Sean, Li, Gertrude, Louer, Craig, Luhmann, Scott, Mac-Thiong, Jean-Marc, Mackenzie, Stuart, MacKintosh, Erin, Mangano, Francesco, Marks, David, Marquez, Sanchez, Martin, Jonathan, Martus, Jeffrey, Matamalas, Antonia, Mayer, Oscar, McCarthy, Richard, McIntosh, Amy, McQuerry, Jessica, Mehta, Jwalant, Metz, Lionel, Miller, Daniel, Miyanji, Firoz, Mundis, Greg, Murphy, Josh, Murphy, Robert, Myung, Karen, Nelson, Susan, Newton, Peter, Ede, Matthew Newton, Nguyen, Cynthia, Nunez, Susana, Oetgen, Matthew, Oswald, Timothy, Ouellet, Jean, Pahys, Josh, Palomino, Kathryn, Parent, Stefan, Garcia, Alejandro Peiro, Pellise, Ferran, Perra, Joseph, Phillips, Jonathan, Pizones, Javier, Poon, Selina, Price, Nigel, Ramirez-Lluch, Norman, Ramo, Brandon, Redding, Gregory, Ritzman, Todd, Rodriguez, Luis, Rodriguez-Olaverri, Juan Carlos, Roye, David, Roye, Benjamin, Saiman, Lisa, Samdani, Amer, Perez-Grueso, Francisco Sanchez, Sanders, James, Sawyer, Jeffrey, Sayama, Christina, Schmitz, Michael, Schulz, Jacob, Schwend, Richard, Shah, Suken, Shapiro, Jay, Shufflebarger, Harry, Skaggs, David, Smit, Kevin, Smith, John, Snyder, Brian, Sponseller, Paul, Stephen, George, Stone, Joe, Sturm, Peter, Sukkarieh, Hamdi, Swarup, Ishaan, Szczodry, Michal, Thometz, John, Thompson, George, Tomoko, Tanaka, Truong, Walter, Vialle, Raphael, Vitale, Michael, Vorhies, John, Wall, Eric, Wang, Shengru, Warner, Bill, Weinstein, Stuart, Welborn, Michelle, White, Klane, Wrubel, David, Wu, Nan, Yankey, Kwadwo, Yaszay, Burt, Yazici, Muharrem, and Zhang, Terry Jianguo

Published
2022
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12. Dissociation energies of AgRG (RG = Ar, Kr, Xe) and AgO molecules from velocity map imaging studies

Author

Cooper, Graham A., Kartouzian, Aras, Gentleman, Alexander S., Iskra, Andreas, van Wijk, Robert, and Mackenzie, Stuart R.

Subjects
Physics - Atomic and Molecular Clusters
Abstract

The near ultraviolet photodissociation dynamics of silver atom rare gas dimers have been studied by velocity map imaging. AgRG (RG = Ar, Kr, Xe) species generated by laser ablation are excited in the region of the C <- X continuum leading to direct, near threshold dissociation generating Ag* (2P3/2) + RG (1S0) products. Images recorded at excitation wavelengths throughout the C <- X continuum, coupled with known atomic energy levels, permit determination of the ground X (2SIGMA+) state dissociation energies of 85.9 +/- 23.4 cm-1 (AgAr), 149.3 +/- 22.4 cm-1 (AgKr) and 256.3 +/- 16.0 cm-1 (AgXe). Three additional photolysis processes, each yielding Ag atom photoproducts, are observed in the same spectral region. Two of these are markedly enhanced in intensity upon seeding the molecular beam with nitrous oxide, and are assigned to photodissociation of AgO at the two photon level. These features yield an improved ground state dissociation energy for AgO of 15965 +/- 81 cm-1, which is in good agreement with high level calculations. The third process results in Ag atom fragments whose kinetic energy shows anomalously weak photon energy dependence and is assigned tentatively to dissociative ionization of the silver dimer Ag2.

Published
2015
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13. Magnetic sensitivity of cryptochrome 4 from a migratory songbird

Author

Xu, Jingjing, Jarocha, Lauren E., Zollitsch, Tilo, Konowalczyk, Marcin, Henbest, Kevin B., Richert, Sabine, Golesworthy, Matthew J., Schmidt, Jessica, Déjean, Victoire, Sowood, Daniel J. C., Bassetto, Marco, Luo, Jiate, Walton, Jessica R., Fleming, Jessica, Wei, Yujing, Pitcher, Tommy L., Moise, Gabriel, Herrmann, Maike, Yin, Hang, Wu, Haijia, Bartölke, Rabea, Käsehagen, Stefanie J., Horst, Simon, Dautaj, Glen, Murton, Patrick D. F., Gehrckens, Angela S., Chelliah, Yogarany, Takahashi, Joseph S., Koch, Karl-Wilhelm, Weber, Stefan, Solov’yov, Ilia A., Xie, Can, Mackenzie, Stuart R., Timmel, Christiane R., Mouritsen, Henrik, and Hore, P. J.

Published
2021
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14. Persistent species relationships characterize migrating bird communities across stopover sites and seasons.

Author

DeSimone, Joely G., DeGroote, Lucas W., MacKenzie, Stuart A., Owen, Jennifer C., Patterson, Andrea J., and Cohen, Emily B.

Subjects
ANIMAL migration, BIOTIC communities, ANIMAL communities, BIRD banding, MIGRATORY animals
Abstract

Global migrations of diverse animal species often converge along the same routes, bringing together seasonal assemblages of animals that may compete, prey on each other, and share information or pathogens. These interspecific interactions, when energetic demands are high and the time to complete journeys is short, may influence survival, migratory success, stopover ecology, and migratory routes. Numerous accounts suggest that interspecific co-migrations are globally distributed in aerial, aquatic, and terrestrial systems, although the study of migration to date has rarely investigated species interactions among migrating animals. Here, we test the hypothesis that migrating animals are communities engaged in networks of ecological interactions. We leverage over half a million records of 50 bird species from five bird banding sites collected over 8 to 23 y to test for species associations using social network analyses. We find strong support for persistent species relationships across sites and between spring and fall migration. These relationships may be ecologically meaningful: They are often stronger among phylogenetically related species with similar foraging behaviors and nonbreeding ranges even after accounting for the nonsocial contributions to associations, including overlap in migration timing and habitat use. While interspecific interactions could result in costly competition or beneficial information exchange, we find that relationships are largely positive, suggesting limited competitive exclusion at the scale of a banding station during migratory stopovers. Our findings support an understanding of animal migrations that consist of networked communities rather than random assemblages of independently migrating species, encouraging future studies of the nature and consequences of co-migrant interactions. [ABSTRACT FROM AUTHOR]

Published
2024
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16. Phenology of the avian spring migratory passage in Europe and North America: Asymmetric advancement in time and increase in duration

Author

Lehikoinen, Aleksi, Lindén, Andreas, Karlsson, Måns, Andersson, Arne, Crewe, Tara L., Dunn, Erica H., Gregory, George, Karlsson, Lennart, Kristiansen, Vidar, Mackenzie, Stuart, Newman, Steve, Røer, Jan Erik, Sharpe, Chris, Sokolov, Leonid V., Steinholtz, Åsa, Stervander, Martin, Tirri, Ina-Sabrina, and Tjørnløv, Rune Skjold

Published
2019
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18. Infrared spectra and fragmentation dynamics of isotopologue-selective mixed-ligand complexes.

Author

Watson, Peter D., Meizyte, Gabriele, Pearcy, Philip A. J., Brewer, Edward I., Green, Alice E., Robertson, Christopher, Paterson, Martin J., and Mackenzie, Stuart R.

Abstract

Isolated mixed-ligand complexes provide tractable model systems in which to study competitive and cooperative binding effects as well as controlled energy flow. Here, we report spectroscopic and isotopologue-selective infrared photofragmentation dynamics of mixed gas-phase Au(12/13CO)n(N2O)m+ complexes. The rich infrared action spectra, which are reproduced well using simulations of calculated lowest energy structures, clarify previous ambiguities in the assignment of vibrational bands, especially accidental coincidence of CO and N2O bands. The fragmentation dynamics exhibit the same unexpected behaviour as reported previously in which, once CO loss channels are energetically accessible, these dominate the fragmentation branching ratios, despite the much lower binding energy of N2O. We have investigated the dynamics computationally by considering anharmonic couplings between a relevant subset of normal modes involving both ligand stretch and intermolecular modes. Discrepancies between correlated and uncorrelated model fit to the ab initio potential energy curves are quantified using a Boltzmann sampled root mean squared deviation providing insight into efficiency of vibrational energy transfer between high frequency ligand stretches and the softer intermolecular modes which break during fragmentation. [ABSTRACT FROM AUTHOR]

Published
2024
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19. Bed rest impairs the vestibular control of balance.

Author

Mackenzie, Stuart W., Smith, Craig P., Tremblay, Malcom F., Day, Brian L., and Reynolds, Raymond F.

Subjects
*BED rest, *LARGE-scale brain networks, *VESTIBULAR stimulation, *GROUND reaction forces (Biomechanics), *PROPRIOCEPTION
Abstract

Prolonged bed rest impairs standing balance but the underlying mechanisms are uncertain. Previous research suggests strength loss is not the cause, leaving impaired sensorimotor control as an alternative. Here we examine vestibular control of posture in 18 male volunteers before and after 60 days of bed rest. Stochastic vestibular stimulation (SVS) was used to evoke sway responses before, 1 and 6 days after bed rest under different head yaw orientations. The directional accuracy and precision of these responses were calculated from ground reaction force vectors. Bed rest caused up to 63% increases in spontaneous standing sway and 31% reductions in leg strength, changes which were uncorrelated. The increase in sway was exacerbated when the eyes were closed. Mean directions of SVS‐evoked sway responses were unaffected, being directed towards the anodal ear and rotating in line with head orientation in the same way before and after bed rest. However, individual trial analysis revealed 25%–30% increases in directional variability, which were significantly correlated with the increase in spontaneous sway (r = 0.48–0.71; P ≤ 0.044) and were still elevated on day 6 post‐bed rest. This reveals that individual sway responses may be inappropriately oriented, a finding masked by the averaging process. Our results confirm that impaired balance following prolonged bedrest is not related to loss of strength. Rather, they demonstrate that the sensorimotor transformation process which converts vestibular feedback into appropriately directed balance responses is impaired. Key points: Prolonged inactivity impairs balance but previous research suggests this is not caused by loss of strength.Here we investigated vestibular control of balance before and after 60 days of bed rest using electrical vestibular stimulation (EVS) to evoke sway responses.Spontaneous sway significantly increased and muscle strength reduced following bed rest, but, in keeping with previous research, these two effects were not correlated.While the overall accuracy of EVS‐evoked sway responses was unaffected, their directional variability significantly increased following bed rest, and this was correlated with the increases in spontaneous sway.We have shown that the ability to transform head‐centred vestibular feedback into an appropriately directed body sway response is negatively affected by prolonged inactivity; this may contribute to the impaired balance commonly observed following bed rest. [ABSTRACT FROM AUTHOR]

Published
2024
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20. Scattering of larger molecules – part 2: general discussion.

Author

Aoiz, F. Javier, Balucani, Nadia, Bergeat, Astrid, Butler, Alexander, Chandler, David W., Czakó, Gábor, Győri, Tibor, Heard, Dwayne E., Heathcote, David, Heazlewood, Brianna R., Hertl, Nils, Jambrina, Pablo G., Kaiser, Ralf I., Krohn, Olivia A., Duc, Viet Le, Loreau, Jérôme, Mackenzie, Stuart R., McKendrick, Kenneth G., Meyer, Jennifer, and Nathanson, Gilbert M.

Abstract

The article focuses on the discussion of scattering phenomena involving larger molecules, specifically addressing questions related to the phenylethynyl radical in the interstellar medium. Topics include the challenges in detecting the phenylethynyl radical due to its complex spectrum, potential formation mechanisms in space, and the role of experimental and computational methods in predicting its presence.

Published
2024
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21. Scattering at condensed-phase surfaces: general discussion.

Author

Auerbach, Daniel J., Babikov, Dmitri, Butler, Alexander, Chandler, David W., Fingerhut, Jan, Hua Guo, Harding, Dan J., Heathcote, David, Hertl, Nils, Bin Jiang, Kroes, Geert-Jan, Lane, Paul D., Loreau, Jérôme, Mackenzie, Stuart R., McKendrick, Kenneth G., Moon, Daniel R., Nathanson, Gilbert M., Neumark, Daniel M., Pandey, Rahul, and Schatz, George C.

Abstract

The article focuses on a general discussion of scattering phenomena at condensed-phase surfaces, particularly in relation to the challenges and techniques involved in measuring angular distributions of evaporating atoms. Topics include the difficulties of measuring angular distributions from cylindrical jets versus flat jets, the prediction of helium atom evaporation patterns, and the observation of surfactant segregation in microjets.

Published
2024
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22. Scattering of larger molecules – part 1: general discussion.

Author

Babikov, Dmitri, Balucani, Nadia, Bergeat, Astrid, Brouard, Mark, Chandler, David W., Costen, Matthew L., Fárník, Michal, Hua Guo, Győri, Tibor, Heard, Dwayne, Heathcote, David, Hertl, Nils, Jambrina, Pablo G., Kidwell, Nathanael M., Krohn, O. A., Duc, Viet Le, Loreau, Jérôme, Mackenzie, Stuart R., McCrea, Max, and McKendrick, Kenneth G.

Abstract

The article focuses on a general discussion about the scattering of larger molecules, particularly examining the differences in potential energy surfaces (PES) between HDO, H2O, and D2O. Topics include the reason for stronger back scattering in HDO compared to H2O and D2O, the role of symmetry and potential terms in scattering phenomena, and specific insights into the n10 term affecting back-scattering.

Published
2024
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28. Early nineteenth century burgh gaols in the northern counties of Scotland : the old system and its reform

Author

MacKenzie, Stuart G.

Subjects
941.1, Prisons, Punishment
Abstract

In 1840 all the burgh gaols of Scotland came under the direction of the General Prison Board operating through local county prison boards.  The burgh gaols had been the principal places of incarceration for both criminals and debtors since the Act of 1597.  No bridewells or houses of correction of any importance were established in Scotland until the end of the eighteenth century and then only in Edinburgh, Glasgow, and eventually Aberdeen.   At the same time the burgh gaols were seen as quite unsuited as places of incarceration but the great majority of the burghs did not have the financial resources to undertake major prison building without help from landed proprietors. Between 1815 and 1939 there were a number of initiatives which attempted to redress the situation. This thesis shows that some of these were generally more successful that it was thought except in the northern counties of Scotland, and in so doing touches on some of the major debates and themes of Scotties history like the inflammability or otherwise of the Scots, the role of voluntarism in society, the centre/civil society axis and the Anglicisation and centralisation following parliamentary reform.  Central to the matter are the relationships between burghs and counties and between the local bodies and the centre.  The role of the newly-established prison inspectorate and how the legislation of 1839 came to be passed and what it achieved are considered.

Published
2008

31. Extensive regional variation in the phenology of insects and their response to temperature across N orth A merica

Author

Dunn, Peter O., primary, Ahmed, Insiyaa, additional, Armstrong, Elise, additional, Barlow, Natasha, additional, Barnard, Malcolm A., additional, Bélisle, Marc, additional, Benson, Thomas J., additional, Berzins, Lisha L., additional, Boynton, Chloe K., additional, Brown, T. Anders, additional, Cady, Melissa, additional, Cameron, Kyle, additional, Chen, Xuan, additional, Clark, Robert G., additional, Clotfelter, Ethan D., additional, Cromwell, Kara, additional, Dawson, Russell D., additional, Denton, Elsie, additional, Forbes, Andrew, additional, Fowler, Kendrick, additional, Fraser, Kevin C., additional, Gandhi, Kamal J. K., additional, Garant, Dany, additional, Hiebert, Megan, additional, Houchen, Claire, additional, Houtz, Jennifer, additional, Imlay, Tara L., additional, Inouye, Brian D., additional, Inouye, David W., additional, Jackson, Michelle, additional, Jacobson, Andrew P., additional, Jayd, Kristin, additional, Juteau, Christy, additional, Kautz, Andrea, additional, Killian, Caroline, additional, Kinnear, Elliot, additional, Komatsu, Kimberly J., additional, Larsen, Kirk, additional, Laughlin, Andrew, additional, Levesque‐Beaudin, Valerie, additional, Leys, Ryan, additional, Long, Elizabeth, additional, Lougheed, Stephen C., additional, Mackenzie, Stuart, additional, Marangelo, Jen, additional, Miller, Colleen, additional, Molano‐Flores, Brenda, additional, Morrissey, Christy A., additional, Nicholls, Emony, additional, Orlofske, Jessica M., additional, Pearse, Ian S., additional, Pelletier, Fanie, additional, Pitt, Amber L., additional, Poston, Joseph P., additional, Racke, Danielle M., additional, Randall, Jeannine A., additional, Richardson, Matthew L., additional, Rooney, Olivia, additional, Ruegg, A. Rose, additional, Rush, Scott, additional, Ryan, Sadie J., additional, Sadowski, Mitchell, additional, Schoepf, Ivana, additional, Schulz, Lindsay, additional, Shea, Brenna, additional, Sheehan, Thomas N., additional, Siefferman, Lynn, additional, Sikes, Derek, additional, Stanback, Mark, additional, Styrsky, John D., additional, Taff, Conor C., additional, Uehling, Jennifer J., additional, Uvino, Kathleen, additional, Wassmer, Thomas, additional, Weglarz, Kathryn, additional, Weinberger, Megan, additional, Wenzel, John, additional, and Whittingham, Linda A., additional

Published
2023
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45. Integrating data types to estimate spatial patterns of avian migration across the Western Hemisphere

Author

Meehan, Timothy D., primary, Saunders, Sarah P., additional, DeLuca, William V., additional, Michel, Nicole L., additional, Grand, Joanna, additional, Deppe, Jill L., additional, Jimenez, Miguel F., additional, Knight, Erika J., additional, Seavy, Nathaniel E., additional, Smith, Melanie A., additional, Taylor, Lotem, additional, Witko, Chad, additional, Akresh, Michael E., additional, Barber, David R., additional, Bayne, Erin M., additional, Beasley, James C., additional, Belant, Jerrold L., additional, Bierregaard, Richard O., additional, Bildstein, Keith L., additional, Boves, Than J., additional, Brzorad, John N., additional, Campbell, Steven P., additional, Celis‐Murillo, Antonio, additional, Cooke, Hilary A., additional, Domenech, Robert, additional, Goodrich, Laurie, additional, Gow, Elizabeth A., additional, Haines, Aaron, additional, Hallworth, Michael T., additional, Hill, Jason M., additional, Holland, Amanda E., additional, Jennings, Scott, additional, Kays, Roland, additional, King, D. Tommy, additional, Mackenzie, Stuart A., additional, Marra, Peter P., additional, McCabe, Rebecca A., additional, McFarland, Kent P., additional, McGrady, Michael J., additional, Melcer, Ron, additional, Norris, D. Ryan, additional, Norvell, Russell E., additional, Rhodes, Olin E., additional, Rimmer, Christopher C., additional, Scarpignato, Amy L., additional, Shreading, Adam, additional, Watson, Jesse L., additional, and Wilsey, Chad B., additional

Published
2022
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47. UV-induced dissociation of CH2BrI probed by intense femtosecond XUV pulses

Author

Kockert, Hansjochen, Lee, Jason W. L., Allum, Felix, Amini, Kasra, Bari, Sadia, Bomme, Cedric, Brausse, Felix, Brouard, Mark, Burt, Michael, de Miranda, Barbara Cunha, Duesterer, Stefan, Eng-Johnsson, Per, Erk, Benjamin, Geleoc, Marie, Geneaux, Romain, Gentleman, Alexander S., Guillemin, Renaud, Goldsztejn, Gildas, Holland, David M. P., Ismail, Iyas, Journel, Loic, Kierspel, Thomas, Kuepper, Jochen, Lahl, Jan, Mackenzie, Stuart R., Maclot, Sylvain, Manschwetus, Bastian, Mereshchenko, Andrey S., Mullins, Terence, Olshin, Pavel K., Palaudoux, Jerome, Penent, Francis, Piancastelli, Maria Novella, Rompotis, Dimitrios, Rouzee, Arnaud, Ruchon, Thierry, Rudenko, Artem, Schirmel, Nora, Simon, Marc, Techert, Simone, Travnikova, Oksana, Trippel, Sebastian, Vallance, Claire, Wang, Enliang, Wiese, Joss, Ziaee, Farzaneh, Marchenko, Tatiana, Rolles, Daniel, Boll, Rebecca, Kockert, Hansjochen, Lee, Jason W. L., Allum, Felix, Amini, Kasra, Bari, Sadia, Bomme, Cedric, Brausse, Felix, Brouard, Mark, Burt, Michael, de Miranda, Barbara Cunha, Duesterer, Stefan, Eng-Johnsson, Per, Erk, Benjamin, Geleoc, Marie, Geneaux, Romain, Gentleman, Alexander S., Guillemin, Renaud, Goldsztejn, Gildas, Holland, David M. P., Ismail, Iyas, Journel, Loic, Kierspel, Thomas, Kuepper, Jochen, Lahl, Jan, Mackenzie, Stuart R., Maclot, Sylvain, Manschwetus, Bastian, Mereshchenko, Andrey S., Mullins, Terence, Olshin, Pavel K., Palaudoux, Jerome, Penent, Francis, Piancastelli, Maria Novella, Rompotis, Dimitrios, Rouzee, Arnaud, Ruchon, Thierry, Rudenko, Artem, Schirmel, Nora, Simon, Marc, Techert, Simone, Travnikova, Oksana, Trippel, Sebastian, Vallance, Claire, Wang, Enliang, Wiese, Joss, Ziaee, Farzaneh, Marchenko, Tatiana, Rolles, Daniel, and Boll, Rebecca

Abstract

The ultraviolet (UV)-induced dissociation and photofragmentation of gas-phase CH2BrI molecules induced by intense femtosecond extreme ultraviolet (XUV) pulses at three different photon energies are studied by multi-mass ion imaging. Using a UV-pump-XUV-probe scheme, charge transfer between highly charged iodine ions and neutral CH2Br radicals produced by C-I bond cleavage is investigated. In earlier charge-transfer studies, the center of mass of the molecules was located along the axis of the bond cleaved by the pump pulse. In the present case of CH2BrI, this is not the case, thus inducing a rotation of the fragment. We discuss the influence of the rotation on the charge transfer process using a classical over-the-barrier model. Our modeling suggests that, despite the fact that the dissociation is slower due to the rotational excitation, the critical interatomic distance for charge transfer is reached faster. Furthermore, we suggest that charge transfer during molecular fragmentation may be modulated in a complex way.

Published
2022
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