Theoretical spectroscopic studies on chemical and electronic structures of arginylglycine

2015 ◽  
Vol 17 (38) ◽  
pp. 24754-24760 ◽  
Author(s):  
Hongbao Li ◽  
Leilei Li ◽  
Jun Jiang ◽  
Zijing Lin ◽  
Yi Luo
Keyword(s):  
Canonical Form ◽  
Electronic Structures ◽  
Global Minimum ◽  
Spectroscopic Studies ◽  
Zwitterionic Form

The global minimum of the dipeptide ArgGly is found to be in the canonical form, rather than the zwitterionic form.

Spectroscopic studies of ceruloplasmin. Electronic structures of the copper sites

1979 ◽  
Vol 101 (17) ◽  
pp. 5046-5053 ◽  
Author(s):  
John H. Dawson ◽  
David M. Dooley ◽  
R. Clark ◽  
Philip J. Stephens ◽  
Harry B. Gray
Keyword(s):  
Electronic Structures ◽  
Spectroscopic Studies ◽  
Copper Sites

Theoretical Spectroscopic Studies on Chemical and Electronic Structures of Selenocysteine and Pyrrolysine

2020 ◽  
Vol 124 (11) ◽  
pp. 2215-2224
Author(s):  
Hongbao Li ◽  
Weijie Hua ◽  
Zhiqiang Wang ◽  
Axue Liu ◽  
Jun Jiang ◽  
...  
Keyword(s):  
Electronic Structures ◽  
Spectroscopic Studies

scholarly journals Illuminating the Effect of the Local Environment on the Performance of Organic Sunscreens: Insights From Laser Spectroscopy of Isolated Molecules and Complexes

2022 ◽  
Vol 9 ◽  
Author(s):  
Natalie G. K. Wong ◽  
Caroline E. H. Dessent
Keyword(s):  
Laser Spectroscopy ◽  
Electronic Structures ◽  
Rational Design ◽  
Radiative Decay ◽  
Molecular Level ◽  
Alkali Metal Cation ◽  
Local Environment ◽  
Spectroscopic Studies ◽  
Cation Binding ◽  
Laser Spectroscopic

Sunscreens are essential for protecting the skin from UV radiation, but significant questions remain about the fundamental molecular-level processes by which they operate. In this mini review, we provide an overview of recent advanced laser spectroscopic studies that have probed how the local, chemical environment of an organic sunscreen affects its performance. We highlight experiments where UV laser spectroscopy has been performed on isolated gas-phase sunscreen molecules and complexes. These experiments reveal how pH, alkali metal cation binding, and solvation perturb the geometric and hence electronic structures of sunscreen molecules, and hence their non-radiative decay pathways. A better understanding of how these interactions impact on the performance of individual sunscreens will inform the rational design of future sunscreens and their optimum formulations.

Spectroscopic Characterization of Alkyl-Passivated Si Nanoparticles Synthesized by a Solution Route

2006 ◽  
Vol 958 ◽  
Author(s):  
Akinori Tanaka ◽  
Tadafumi Kamikake ◽  
Masaki Imamura ◽  
Yoshiaki Murase ◽  
Hidehiro Yasuda
Keyword(s):  
Synchrotron Radiation ◽  
Valence Band ◽  
Electronic Structures ◽  
Chemical Properties ◽  
Blue Emission ◽  
Spectroscopic Characterization ◽  
Spectroscopic Studies ◽  
Excitation Spectra ◽  
Si Nanoparticles ◽  
Solution Route

ABSTRACTWe have synthesized the alkyl-passivated Si nanoparticles by a solution route, and have carried out the various spectroscopic studies in order to investigate their intrinsic optical properties, electronic structures, and surface chemistry. Photoluminescence (PL) spectra of the n-butyl-passivated Si nanoparticles with mean diameter less than 2 nm exhibit the strong ultraviolet-blue emission. Moreover, it is found that their valence-band maximum energies directly estimated from the synchrotron-radiation valence-band photoemission spectra correspond to the resonance features in the PL excitation spectra. Therefore, it is concluded that the PL from the present n-butyl-passivated Si nanoparticles originates from the electron-hole pair recombination between the modified valence-band and conduction-band due to the quantum size effect. From the synchrotron-radiation Si 2p core-level photoemission spectra, their interfacial electronic structures of these Si nanoparticles have also been characterized. From these results, we discuss the detailed electronic and chemical properties of alkyl-passivated Si nanoparticles.

Spectroscopic studies of Rhus vernicifera and Polyporus versicolor laccase. Electronic structures of the copper sites

1979 ◽  
Vol 101 (17) ◽  
pp. 5038-5046 ◽  
Author(s):  
David M. Dooley ◽  
Jill Rawlings ◽  
John H. Dawson ◽  
Philip J. Stephens ◽  
Lars-Erik Andreasson ◽  
...  
Keyword(s):  
Electronic Structures ◽  
Spectroscopic Studies ◽  
Copper Sites ◽  
Rhus Vernicifera

Spectroscopic Investigations of Dendrimer-Au Hybrid Nanoclusters

2007 ◽  
Vol 1056 ◽  
Author(s):  
Akinori Tanaka ◽  
Yoshiaki Murase ◽  
Takanobu Kitagawa ◽  
Masaki Imamura ◽  
Hidehiro Yasuda
Keyword(s):  
Electronic Structures ◽  
Spectral Feature ◽  
Spectroscopic Studies ◽  
Core Level ◽  
Photoemission Spectrum ◽  
Au Nanoclusters ◽  
Final State ◽  
X Ray ◽  
Mean Diameter ◽  
Shape Analyses

ABSTRACTWe have synthesized the dendrimer-Au hybrid nanoclusters by solution routes, and have carried out the various spectroscopic studies in order to investigate their electronic structures. From the line-shape analyses for Au 4f core-level photoemission spectra measured with hard X-ray synchrotron-radiation of Au nanoclusters with mean diameter of 2-3 nm stabilized outside the dendrimer, it is found that Au 4f core-level photoemission spectrum consists of two components. We attribute these components to interior Au atoms and surface Au atoms bonded to dendrimers. In the valence-band photoemission spectrum of these Au nanoclusters, we have observed the bandwidth narrowing of Au 5d-derived band compared to that of bulk Au crystallite. Moreover, we have observed the characteristic spectral feature in the vicinity of Fermi level due to the dynamic final-state effect in photoemission. We have also carried out the optical spectroscopic measurements of these Au nanoclusters. From these results, we discuss the electronic structures and interfacial properties of the dendrimer-Au hybrid nanoclusters.

scholarly journals A design of resonant inelastic X-ray scattering (RIXS) spectrometer for spatial- and time-resolved spectroscopy

2020 ◽  
Vol 27 (3) ◽  
pp. 695-707 ◽  
Author(s):  
Yi-De Chuang ◽  
Xuefei Feng ◽  
Per-Anders Glans-Suzuki ◽  
Wanli Yang ◽  
Howard Padmore ◽  
...  
Keyword(s):  
Electronic Structures ◽  
Optical Design ◽  
Spectroscopic Studies ◽  
Resolving Power ◽  
Multiple Time ◽  
Optical Scheme ◽  
Pixel Detector ◽  
Time Resolved ◽  
X Ray ◽  
Imaging Capability

The optical design of a Hettrick–Underwood-style soft X-ray spectrometer with Wolter type 1 mirrors is presented. The spectrometer with a nominal length of 3.1 m can achieve a high resolving power (resolving power higher than 10000) in the soft X-ray regime when a small source beam (<3 µm in the grating dispersion direction) and small pixel detector (5 µm effective pixel size) are used. Adding Wolter mirrors to the spectrometer before its dispersive elements can realize the spatial imaging capability, which finds applications in the spectroscopic studies of spatially dependent electronic structures in tandem catalysts, heterostructures, etc. In the pump–probe experiments where the pump beam perturbs the materials followed by the time-delayed probe beam to reveal the transient evolution of electronic structures, the imaging capability of the Wolter mirrors can offer the pixel-equivalent femtosecond time delay between the pump and probe beams when their wavefronts are not collinear. In combination with some special sample handing systems, such as liquid jets and droplets, the imaging capability can also be used to study the time-dependent electronic structure of chemical transformation spanning multiple time domains from microseconds to nanoseconds. The proposed Wolter mirrors can also be adopted to the existing soft X-ray spectrometers that use the Hettrick–Underwood optical scheme, expanding their capabilities in materials research.

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