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Journal articles on the topic 'Ultrafast solvation dynamics'

Author: Grafiati

Published: 6 September 2023

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1

Zolotov, B., D. Huppert, and B. D. Fainberg. "Quantum beats and ultrafast solvation dynamics." Journal of Chemical Physics 111, no. 14 (October 8, 1999): 6510–20. http://dx.doi.org/10.1063/1.480027.

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2

Cao, Simin, Haoyang Li, Zenan Zhao, Sanjun Zhang, Jinquan Chen, Jianhua Xu, Jay R. Knutson, and Ludwig Brand. "Ultrafast Fluorescence Spectroscopy via Upconversion and Its Applications in Biophysics." Molecules 26, no. 1 (January 3, 2021): 211. http://dx.doi.org/10.3390/molecules26010211.

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In this review, the experimental set-up and functional characteristics of single-wavelength and broad-band femtosecond upconversion spectrophotofluorometers developed in our laboratory are described. We discuss applications of this technique to biophysical problems, such as ultrafast fluorescence quenching and solvation dynamics of tryptophan, peptides, proteins, reduced nicotinamide adenine dinucleotide (NADH), and nucleic acids. In the tryptophan dynamics field, especially for proteins, two types of solvation dynamics on different time scales have been well explored: ~1 ps for bulk water, and tens of picoseconds for “biological water”, a term that combines effects of water and macromolecule dynamics. In addition, some proteins also show quasi-static self-quenching (QSSQ) phenomena. Interestingly, in our more recent work, we also find that similar mixtures of quenching and solvation dynamics occur for the metabolic cofactor NADH. In this review, we add a brief overview of the emerging development of fluorescent RNA aptamers and their potential application to live cell imaging, while noting how ultrafast measurement may speed their optimization.

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3

Perera, Lalith, and Max L. Berkowitz. "Ultrafast solvation dynamics in a Stockmayer fluid." Journal of Chemical Physics 97, no. 7 (October 1992): 5253–54. http://dx.doi.org/10.1063/1.463826.

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4

Jiao, Yishuo, Bernhard Adams, and Christoph Rose-Petruck. "Ultrafast X-ray measurements of the glass-like, high-frequency stiffness of aqueous solutions." Physical Chemistry Chemical Physics 19, no. 31 (2017): 21095–100. http://dx.doi.org/10.1039/c7cp02747h.

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The ultrafast dynamics of the domains surrounding solutes in aqueous solution were measured using laser-generating GHz phonons in 30 mM ferrocyanide solutions and the resulting molecular motions of the solutes and their hydrogen-bonded solvation shells were detected using ultrafast X-ray absorption spectroscopy (UXAS).

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5

Nome, René A. "Ultrafast dynamics of solvation: the story so far." Journal of the Brazilian Chemical Society 21, no. 12 (December 2010): 2189–204. http://dx.doi.org/10.1590/s0103-50532010001200005.

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6

Ma, Jangseok, David Vanden Bout, and Mark Berg. "Solvation dynamics studied by ultrafast transient hole burning." Journal of Molecular Liquids 65-66 (November 1995): 301–4. http://dx.doi.org/10.1016/0167-7322(95)00821-x.

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7

Cota, Roberto, Ambuj Tiwari, Bernd Ensing, Huib J. Bakker, and Sander Woutersen. "Hydration interactions beyond the first solvation shell in aqueous phenolate solution." Physical Chemistry Chemical Physics 22, no. 35 (2020): 19940–47. http://dx.doi.org/10.1039/d0cp01209b.

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8

Niu, Xinmiao, Prabhat Gautam, Zhuoran Kuang, Craig P. Yu, Yuanyuan Guo, Hongwei Song, Qianjin Guo, Julian M. W. Chan, and Andong Xia. "Intramolecular charge transfer and solvation dynamics of push–pull dyes with different π-conjugated linkers." Physical Chemistry Chemical Physics 21, no. 31 (2019): 17323–31. http://dx.doi.org/10.1039/c9cp02559f.

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The solvation-dependent excited state dynamics of two push–pull fluorophores with donor–π–acceptor (D–π–A) structures were investigated using steady-state and ultrafast transient absorption (TA) spectroscopy, backed by theoretical calculations.

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9

Roy, Srabani, and Biman Bagchi. "Ultrafast underdamped solvation: Agreement between computer simulation and various theories of solvation dynamics." Journal of Chemical Physics 99, no. 2 (July 15, 1993): 1310–19. http://dx.doi.org/10.1063/1.465375.

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10

de Boeij, Wim P., Maxim S. Pshenichnikov, and Douwe A. Wiersma. "ULTRAFAST SOLVATION DYNAMICS EXPLORED BY FEMTOSECOND PHOTON ECHO SPECTROSCOPIES." Annual Review of Physical Chemistry 49, no. 1 (October 1998): 99–123. http://dx.doi.org/10.1146/annurev.physchem.49.1.99.

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11

Rey, Rossend, and James T. Hynes. "Solvation Dynamics in Liquid Water. 1. Ultrafast Energy Fluxes." Journal of Physical Chemistry B 119, no. 24 (January 30, 2015): 7558–70. http://dx.doi.org/10.1021/jp5113922.

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12

Batabyal, Subrata, Tanumoy Mondol, Susobhan Choudhury, Abhishek Mazumder, and Samir Kumar Pal. "Ultrafast interfacial solvation dynamics in specific protein DNA recognition." Biochimie 95, no. 11 (November 2013): 2168–76. http://dx.doi.org/10.1016/j.biochi.2013.08.015.

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13

Penfold, Thomas J., Christopher J. Milne, Ivano Tavernelli, and Majed Chergui. "Hydrophobicity with atomic resolution: Steady-state and ultrafast X-ray absorption and molecular dynamics studies." Pure and Applied Chemistry 85, no. 1 (August 31, 2012): 53–60. http://dx.doi.org/10.1351/pac-con-12-04-02.

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Static and time-resolved X-ray absorption spectroscopy (XAS) is used to probe the solvent shell structure around iodide and iodine. In particular, we characterize the changes observed upon electron abstraction of aqueous iodide, which reflects the transition from hydrophilic to hydrophobic solvation after impulsive electron abstraction from iodide. The static spectrum of aqueous iodide, which is analyzed using quantum mechanical/molecular mechanics (QM/MM) molecular dynamics (MD) simulations, indicates that the hydrogens of the closest water molecules point toward the iodide, as expected for hydrophilic solvation. In addition, these simulations demonstrate a small anisotropy in the solvent shell. Following electron abstraction, most of the water molecules move away from iodine, while one comes closer to form a complex with it that survives for 3–4 ps. This lifetime is governed by the reorganization of the main solvation shell, basically the time it takes for the water molecules to reform a hydrogen bond network in the hydrophobic solvation shell.

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14

McElroy, Richard, and Klaas Wynne. "Time-Resolved Terahertz Spectroscopy of Condensed Phase Reactions." Laser Chemistry 19, no. 1-4 (January 1, 1999): 145–48. http://dx.doi.org/10.1155/1999/85151.

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Ultrafast time-resolved visible-pump, far-IR (THz) probe spectroscopy has been developed in our lab and has been applied to study carrier dynamics in photoexcited GaAs and dipole solvation dynamics in betaine and p-nitroaniline. This type of spectroscopy enables us to study for the first time the nonequilibrium interaction between excited electronic states and low frequency vibrational modes.

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15

Nagasawa, Yutaka, and Hiroshi Miyasaka. "Ultrafast solvation dynamics and charge transfer reactions in room temperature ionic liquids." Phys. Chem. Chem. Phys. 16, no. 26 (2014): 13008–26. http://dx.doi.org/10.1039/c3cp55465a.

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16

Rivas, N., G. Moriena, L. Domenianni, J. H. Hodak, and E. Marceca. "Counterion effects on the ultrafast dynamics of charge-transfer-to-solvent electrons." Physical Chemistry Chemical Physics 19, no. 47 (2017): 31581–91. http://dx.doi.org/10.1039/c7cp05903e.

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We performed femtosecond transient absorption experiments to monitor the solvation dynamics of charge-transfer-to-solvent electrons originating from UV photoexcitation of ammoniated iodide in close proximity to the counterions.

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17

Dutta, Samrat, Zhe Ren, Thomas Brinzer, and Sean Garrett-Roe. "Two-dimensional ultrafast vibrational spectroscopy of azides in ionic liquids reveals solute-specific solvation." Physical Chemistry Chemical Physics 17, no. 40 (2015): 26575–79. http://dx.doi.org/10.1039/c5cp02119g.

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18

Chang, C. W., L. Guo, Y. T. Kao, J. Li, C. Tan, T. Li, C. Saxena, et al. "Ultrafast solvation dynamics at binding and active sites of photolyases." Proceedings of the National Academy of Sciences 107, no. 7 (January 26, 2010): 2914–19. http://dx.doi.org/10.1073/pnas.1000001107.

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19

Wang, Jin, Jacek Kubicki, Terry L. Gustafson, and Matthew S. Platz. "The Dynamics of Carbene Solvation: An Ultrafast Study ofp-Biphenylyltrifluoromethylcarbene." Journal of the American Chemical Society 130, no. 7 (February 2008): 2304–13. http://dx.doi.org/10.1021/ja077705m.

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20

Smith, Neil A., Shujie Lin, Stephen R. Meech, and Keitaro Yoshihara. "Ultrafast Optical Kerr Effect and Solvation Dynamics of Liquid Aniline." Journal of Physical Chemistry A 101, no. 20 (May 1997): 3641–45. http://dx.doi.org/10.1021/jp964035q.

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21

Cao, Simin, Haoyang Li, Yangyi Liu, Mengjie Zhang, Mengyu Wang, Zhongneng Zhou, Jinquan Chen, Sanjun Zhang, Jianhua Xu, and Jay R. Knutson. "Femtosecond Fluorescence Spectra of NADH in Solution: Ultrafast Solvation Dynamics." Journal of Physical Chemistry B 124, no. 5 (January 15, 2020): 771–76. http://dx.doi.org/10.1021/acs.jpcb.9b10656.

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22

Zhong, Q., and A. W. Castleman. "An Ultrafast Glimpse of Cluster Solvation Effects on Reaction Dynamics." Chemical Reviews 100, no. 11 (November 2000): 4039–58. http://dx.doi.org/10.1021/cr990056f.

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23

Hurley, S. M., T. E. Dermota, D. P. Hydutsky, and A. W. Castleman. "Ultrafast dynamics of acetone–water clusters: the influence of solvation." International Journal of Mass Spectrometry 228, no. 2-3 (August 2003): 677–86. http://dx.doi.org/10.1016/s1387-3806(03)00218-5.

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24

Jen, Myungsam, Kooknam Jeon, Sebok Lee, Sunjoo Hwang, Won-jin Chung, and Yoonsoo Pang. "Ultrafast intramolecular proton transfer reactions and solvation dynamics of DMSO." Structural Dynamics 6, no. 6 (November 2019): 064901. http://dx.doi.org/10.1063/1.5129446.

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25

Fourkas, John T., and Mark Berg. "Temperature‐dependent ultrafast solvation dynamics in a completely nonpolar system." Journal of Chemical Physics 98, no. 10 (May 15, 1993): 7773–85. http://dx.doi.org/10.1063/1.464585.

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26

Nome, Rene A. "ChemInform Abstract: Ultrafast Dynamics of Solvation: The Story So Far." ChemInform 42, no. 24 (May 19, 2011): no. http://dx.doi.org/10.1002/chin.201124244.

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27

Jeon, Kooknam, Myungsam Jen, Sebok Lee, Taehyung Jang, and Yoonsoo Pang. "Intramolecular Charge Transfer of 1-Aminoanthraquinone and Ultrafast Solvation Dynamics of Dimethylsulfoxide." International Journal of Molecular Sciences 22, no. 21 (November 3, 2021): 11926. http://dx.doi.org/10.3390/ijms222111926.

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The intramolecular charge transfer (ICT) of 1-aminoanthraquinone (AAQ) in the excited state strongly depends on its solvent properties, and the twisted geometry of its amino group has been recommended for the twisted ICT (TICT) state by recent theoretical works. We report the transient Raman spectra of AAQ in a dimethylsulfoxide (DMSO) solution by femtosecond stimulated Raman spectroscopy to provide clear experimental evidence for the TICT state of AAQ. The ultrafast (~110 fs) TICT dynamics of AAQ were observed from the major vibrational modes of AAQ including the νC-N + δCH and νC=O modes. The coherent oscillations in the vibrational bands of AAQ strongly coupled to the nuclear coordinate for the TICT process have been observed, which showed its anharmonic coupling to the low frequency out of the plane deformation modes. The vibrational mode of solvent DMSO, νS=O showed a decrease in intensity, especially in the hydrogen-bonded species of DMSO, which clearly shows that the solvation dynamics of DMSO, including hydrogen bonding, are crucial to understanding the reaction dynamics of AAQ with the ultrafast structural changes accompanying the TICT.

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28

Lang, Bernhard, Gonzalo Angulo, and Eric Vauthey. "Ultrafast Solvation Dynamics of Coumarin 153 in Imidazolium-Based Ionic Liquids." Journal of Physical Chemistry A 110, no. 22 (June 2006): 7028–34. http://dx.doi.org/10.1021/jp057482r.

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29

Moran, Andrew M., Sungnam Park, and Norbert F. Scherer. "Polarizability response spectroscopy: Formalism and simulation of ultrafast dynamics in solvation." Chemical Physics 341, no. 1-3 (November 2007): 344–56. http://dx.doi.org/10.1016/j.chemphys.2007.09.001.

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30

Ding, Qing, Geng Meng, Shu-Feng Wang, Xiao-Feng Zheng, Hong Yang, and Qi-Huang Gong. "Ultrafast Solvation Dynamics of Subtilisin-Polyethylene Glycol Interaction for Protein Crystallization." Chinese Physics Letters 28, no. 6 (June 2011): 067804. http://dx.doi.org/10.1088/0256-307x/28/6/067804.

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31

Yang, Ding-Shyue, Omar F. Mohammed, and Ahmed H. Zewail. "Environmental Scanning Ultrafast Electron Microscopy: Structural Dynamics of Solvation at Interfaces." Angewandte Chemie 125, no. 10 (December 7, 2012): 2969–73. http://dx.doi.org/10.1002/ange.201205093.

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32

Yang, Ding-Shyue, Omar F. Mohammed, and Ahmed H. Zewail. "Environmental Scanning Ultrafast Electron Microscopy: Structural Dynamics of Solvation at Interfaces." Angewandte Chemie International Edition 52, no. 10 (December 7, 2012): 2897–901. http://dx.doi.org/10.1002/anie.201205093.

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33

Liu, Qianli, Juen-Kai Wang, and Ahmed H. Zewail. "Solvation Ultrafast Dynamics of Reactions. 10. Molecular Dynamics Studies of Dissociation, Recombination, and Coherence." Journal of Physical Chemistry 99, no. 29 (July 1995): 11321–32. http://dx.doi.org/10.1021/j100029a005.

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34

DONG, LI-QING, KAI NIU, and SHU-LIN CONG. "THEORETICAL INVESTIGATION OF ULTRAFAST DYNAMICS OF THE RHODAMINE-700 MOLECULE IN SOLVENTS." Journal of Theoretical and Computational Chemistry 06, no. 04 (December 2007): 885–92. http://dx.doi.org/10.1142/s0219633607003490.

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The density matrix theory is used to calculate the fluorescence depletion spectra and the internal conversion (IC) times of rhodamine-700 (R-700) in methanol, ethanol, and DMSO solvents. The calculated IC times from Sx to S1 states of R-700 in methanol, ethanol, and DMSO solvents are about 20, 33, and 70 fs, respectively. The times of the excited solvation processes for R-700 in methanol, ethanol, and DMSO solvents are about 8.0, 7.0, and 3.0 ps, respectively.

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35

Zhou, Meng, Saran Long, Xiankai Wan, Yang Li, Yingli Niu, Qianjin Guo, Quan-Ming Wang, and Andong Xia. "Ultrafast relaxation dynamics of phosphine-protected, rod-shaped Au20 clusters: interplay between solvation and surface trapping." Phys. Chem. Chem. Phys. 16, no. 34 (2014): 18288–93. http://dx.doi.org/10.1039/c4cp02336f.

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Excited-state intramolecular charge transfer dynanmics and coherent oscillation of ligand-protected rod shaped Au₂₀ clusters were modulated through the competition between solvation and surface trapping.

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36

Hithell, Gordon, Mario González-Jiménez, Gregory M. Greetham, Paul M. Donaldson, Michael Towrie, Anthony W. Parker, Glenn A. Burley, Klaas Wynne, and Neil T. Hunt. "Ultrafast 2D-IR and optical Kerr effect spectroscopy reveal the impact of duplex melting on the structural dynamics of DNA." Physical Chemistry Chemical Physics 19, no. 16 (2017): 10333–42. http://dx.doi.org/10.1039/c7cp00054e.

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37

Jen, Myungsam, Sebok Lee, Gisang Lee, Daedu Lee, and Yoonsoo Pang. "Intramolecular Charge Transfer of Curcumin and Solvation Dynamics of DMSO Probed by Time-Resolved Raman Spectroscopy." International Journal of Molecular Sciences 23, no. 3 (February 2, 2022): 1727. http://dx.doi.org/10.3390/ijms23031727.

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Intramolecular charge transfer (ICT) of curcumin in dimethyl sulfoxide (DMSO) solution in the excited state was investigated by femtosecond electronic and vibrational spectroscopy. Excited-state Raman spectra of curcumin in the locally-excited and charge-transferred (CT) state of the S1 excited state were separated due to high temporal (<50 fs) and spectral (<10 cm−1) resolutions of femtosecond stimulated Raman spectroscopy. The ultrafast (0.6–0.8 ps) ICT and subsequent vibrational relaxation (6–9 ps) in the CT state were ubiquitously observed in the ground- and excited-state vibrational modes of the solute curcumin and the νCSC and νS=O modes of solvent DMSO. The ICT of curcumin in the excited state was preceded by the disruption of the solvation shells, including the breakage of hydrogen bonding between curcumin and DMSO molecules, which occurs at the ultrafast (20–50 fs) time scales.

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38

Egorov, S. A., and P. Larrégaray. "Absorption and emission lineshapes and ultrafast solvation dynamics of NO in parahydrogen." Journal of Chemical Physics 128, no. 24 (June 28, 2008): 244502. http://dx.doi.org/10.1063/1.2943316.

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39

Nandi, Nilashis, Srabani Roy, and Biman Bagchi. "Ultrafast solvation dynamics in water: Isotope effects and comparison with experimental results." Journal of Chemical Physics 102, no. 3 (January 15, 1995): 1390–97. http://dx.doi.org/10.1063/1.468925.

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40

Hazra, Milan K., and Biman Bagchi. "Collective excitations and ultrafast dipolar solvation dynamics in water-ethanol binary mixture." Journal of Chemical Physics 148, no. 11 (March 21, 2018): 114506. http://dx.doi.org/10.1063/1.5019405.

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41

Yamamoto, Yo-ichi, and Toshinori Suzuki. "Ultrafast Dynamics of Water Radiolysis: Hydrated Electron Formation, Solvation, Recombination, and Scavenging." Journal of Physical Chemistry Letters 11, no. 14 (June 18, 2020): 5510–16. http://dx.doi.org/10.1021/acs.jpclett.0c01468.

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42

Choudhury, Susobhan, Subrata Batabyal, Tanumoy Mondol, Dilip Sao, Peter Lemmens, and Samir Kumar Pal. "Ultrafast Dynamics of Solvation and Charge Transfer in a DNA-Based Biomaterial." Chemistry - An Asian Journal 9, no. 5 (March 24, 2014): 1395–402. http://dx.doi.org/10.1002/asia.201400062.

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43

Vandaele, Eva, Momir Mališ, and Sandra Luber. "The ΔSCF method for non-adiabatic dynamics of systems in the liquid phase." Journal of Chemical Physics 156, no. 13 (April 7, 2022): 130901. http://dx.doi.org/10.1063/5.0083340.

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Computational studies of ultrafast photoinduced processes give valuable insights into the photochemical mechanisms of a broad range of compounds. In order to accurately reproduce, interpret, and predict experimental results, which are typically obtained in a condensed phase, it is indispensable to include the condensed phase environment in the computational model. However, most studies are still performed in vacuum due to the high computational cost of state-of-the-art non-adiabatic molecular dynamics (NAMD) simulations. The quantum mechanical/molecular mechanical (QM/MM) solvation method has been a popular model to perform photodynamics in the liquid phase. Nevertheless, the currently used QM/MM embedding techniques cannot sufficiently capture all solute–solvent interactions. In this Perspective, we will discuss the efficient ΔSCF electronic structure method and its applications with respect to the NAMD of solvated compounds, with a particular focus on explicit quantum mechanical solvation. As more research is required for this method to reach its full potential, some challenges and possible directions for future research are presented as well.

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44

Wagner, M. S., E. D. Ilieva, P. St Petkov, R. D. Nikolova, R. Kienberger, and H. Iglev. "Ultrafast hydrogen bond dynamics and partial electron transfer after photoexcitation of diethyl ester of 7-(diethylamino)-coumarin-3-phosphonic acid and its benzoxaphosphorin analog." Physical Chemistry Chemical Physics 17, no. 15 (2015): 9919–26. http://dx.doi.org/10.1039/c4cp05727a.

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The solvation dynamics after optical excitation of two phosphono-substituted coumarin derivatives dissolved in various solutions are studied by fluorescence up-conversion spectroscopy and quantum chemical simulations.

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45

Materny, Arnulf, Christoph Lienau, and Ahmed H. Zewail. "Solvation Ultrafast Dynamics of Reactions. 12. Probing along the Reaction Coordinate and Dynamics in Supercritical Argon." Journal of Physical Chemistry 100, no. 48 (January 1996): 18650–65. http://dx.doi.org/10.1021/jp9624313.

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46

Jumper, Chanelle C., Paul C. Arpin, Daniel B. Turner, Scott D. McClure, Shahnawaz Rafiq, Jacob C. Dean, Jeffrey A. Cina, Philip A. Kovac, Tihana Mirkovic, and Gregory D. Scholes. "Broad-Band Pump–Probe Spectroscopy Quantifies Ultrafast Solvation Dynamics of Proteins and Molecules." Journal of Physical Chemistry Letters 7, no. 22 (November 9, 2016): 4722–31. http://dx.doi.org/10.1021/acs.jpclett.6b02237.

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47

Dunbar, Josef A., Evan J. Arthur, Aaron M. White, and Kevin J. Kubarych. "Ultrafast 2D-IR and Simulation Investigations of Preferential Solvation and Cosolvent Exchange Dynamics." Journal of Physical Chemistry B 119, no. 20 (May 12, 2015): 6271–79. http://dx.doi.org/10.1021/acs.jpcb.5b01952.

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48

Gahl, C., U. Bovensiepen, C. Frischkorn, K. Morgenstern, K. H. Rieder, and M. Wolf. "Ultrafast electron solvation dynamics in D2O/Cu(111): influence of coverage and structure." Surface Science 532-535 (June 2003): 108–12. http://dx.doi.org/10.1016/s0039-6028(03)00186-9.

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49

Lohse, Peter W., Florian Ehlers, Kawon Oum, Mirko Scholz, and Thomas Lenzer. "Ultrafast solvation dynamics of 12′-apo-β-carotenoic-12′-acid in [C6mim]+[Tf2N]−." Chemical Physics 373, no. 1-2 (July 2010): 45–49. http://dx.doi.org/10.1016/j.chemphys.2009.12.028.

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50

Hunt, Neil T., and Klaas Wynne. "The effect of temperature and solvation on the ultrafast dynamics of N-methylacetamide." Chemical Physics Letters 431, no. 1-3 (November 2006): 155–59. http://dx.doi.org/10.1016/j.cplett.2006.09.084.

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