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Displaying 601 - 625 of 927

To Predict Vibrational Spectra, Are Anharmonic Calculations Worthwhile?

January 22, 2013
Author(s)
Ruth L. Jacobsen, Karl K. Irikura, Russell D. Johnson III, Raghu N. Kacker
Anharmonic calculations using vibrational perturbation theory are known to provide near-spectroscopic accuracy when combined with high-level ab initio potential energy functions. However, performance with economical, popular electronic structure methods is

Further Studies with Isolated Absolute Infrared Spectra of Bacteriorhodopsin Photocycle Intermediates: Conformational Changes and Possible Role of a New Proton-Binding Center

January 1, 2013
Author(s)
Richard W. Hendler, Curtis W. Meuse, Paul Smith, John W. Kakareka
We recently published procedures describing the isolation of absolute infrared spectra for the intermediates of the bacteriorhodopsin (BR) photocycle and from these, obtaining transitional difference spectra between consecutive intermediates. In that work

Single bead detection with a NMR micro capillary probe

December 6, 2012
Author(s)
Yoshihiro Nakashima, Michael A. Boss, Stephen E. Russek, John M. Moreland
We have developed a nuclear magnetic resonance (NMR) microcapillary probe for the detection of single magnetic microbeads. The geometry of the probe has been optimized so that the signal from the background water has a similar magnitude compared to the

Broad-band frequency references in the near-infrared: accurate dual comb spectroscopy of methane and acetylene

December 1, 2012
Author(s)
Alexander M. Zolot, Fabrizio R. Giorgetta, Esther Baumann, William C. Swann, Ian R. Coddington, Nathan R. Newbury
The Doppler-limited spectra of methane between 176 THz and 184 THz (5870-6130 cm −1) and acetylene between 193 THz and 199 THz (6430-6630 cm −1) are acquired via comb-tooth resolved dual comb spectroscopy with frequency accuracy traceable to atomic

Immobilization of Proteins on Carboxylic Acid-Functionalized Nanopatterns

November 28, 2012
Author(s)
John Peter Ngunjiri, Daniel J. Stark, Tian Tian, Kimberly Briggman, Jayne C. Garno
The immobilization of proteins on nanopatterned surfaces was investigated using in situ atomic force microscopy (AFM) and ex situ infrared reflectance-absorption spectroscopy (IRAS). The AFM-based lithography technique of nanografting provided control of

EUV magnetic-dipole lines from highly-charged high-Z ions with an open $3d$ shell

November 27, 2012
Author(s)
Yuri Ralchenko, John D. Gillaspy, Joseph Reader, Dmitry D. Osin
The electron beam ion trap (EBIT) at the National Institute of Standards and Technology was used to produce highly-charged ions of hafnium, tantalum and gold with an open $3d$ shell. The extreme-ultraviolet (EUV) spectra from these ions were recorded with

Absolute line intensities for ethylene from 1800 to 2350 cm-1.

November 17, 2012
Author(s)
Walter J. Lafferty, Jean-Marie Flaud, A. Ben Hassen, F. K. Kwabia Tchana, X Landsheere, H Aroui
Fourteen Fourier transform spectra of ethylene (C2H4) have been recorded in the 1800-2350 spectral domain with different path-lengths and pressures and used to derive individual line intensities for lines belonging to the ν7 + ν8, ν4 + ν8 , ν6 + ν10, ν6 +

High-resolution infrared studies of the V10, V11, V14, and V18 levels of [1.1.1] propellane

November 15, 2012
Author(s)
Robynne Kirkpatrick, Tony Masiello, Mathew A. Martin, Joseph W. Nibler, Arthur Maki, Alfons Weber, Thomas A. Blake
This paper is a continuation of earlier work for which the high resolution infrared spectrum of [1.1.1]propellane was measured and its k and l structure resolved for the first time. Here we present results from an analysis of more than 16,000 transitions

EUV spectra of Rb-like to Cu-like gadolinium ions in an electron beam ion trap

October 8, 2012
Author(s)
Yuri Ralchenko, Deirdre Kilbane, G. O'Sullivan, John D. Gillaspy, Joseph Reader
Measurements of extreme ultraviolet radiation from highly-charged gadolinium ions were made at the National Institute of Standards and Technology. The ions were produced and confined in an electron beam ion trap (EBIT) and the spectra were recorded with a

Biosynthesis of Athmu, a alpha,gamma-hydroxy-ss-amino acid of pahayokolides A-B

October 2, 2012
Author(s)
Li Liu, Dan Bearden, Juan C. Rodriguez, Kathleen S. Rein
Pahayokolides A-B are cyanobacteria derived non-ribosomal peptides which exhibit cytotoxicity against a number of cancer cell lines. The biosynthetic origin of the 3-amino-2,5,7,8- tetrahydroxy-10-methylundecanoic acid (Athmu) moiety has been investigated

Controlling Thermochromism in a Photonic Block Copolymer Gel

September 26, 2012
Author(s)
Joseph J. Walish, Yin Fan , Andrea Centrone, Edwin L. Thomas
Controlling the color via temperature-induced changes of self-assembled photonic materials is important for their application in sensors and displays. The thermochromic behavior of a PS-P2VP photonic gel was studied (UV-VIS, FTIR) and found to originate

Near-infrared calibration systems for precise radial-velocity measurements

September 24, 2012
Author(s)
Stephen L. Redman, Florian Kerber, Gillian Nave, Suvrath Mahadevan, Lawrence W. Ramsey, Jonathan Smoker, H-U Kaufl, Pedro Figueira
We present work done to prepare two new near-infrared calibration sources for use on high-precision astrophysical spectrographs. Uranium-neon is an atomic calibration source, commercially available as a hollow-cathode lamp, with over 10 000 known emission

Measuring Single-Walled Carbon Nanotube Length Distributions from Diffusional Trajectories

August 27, 2012
Author(s)
Jason Streit, Sergei M. Bachilo, Anton V. Naumov, Constantine Y. Khripin, Ming Zheng, R B. Weisman
A new method is demonstrated for measuring the length distributions of dispersed single-walled carbon nanotube (SWCNT) samples by analyzing diffusional motions of many individual nanotubes in parallel. In this method, termed Length Analysis by Nanotube

Towards One-electron Ions in Rydberg States for Laser Spectroscopy

July 30, 2012
Author(s)
Joseph Tan, Samuel Brewer, Nicholas D. Guise
Simple quantum systems play important roles in the determination of fundamental constants. Very recently at NIST, bare nuclei created in an EBIT were extracted and captured in a novel compact Penning trap. This is a step towards production of one-electron

Highly Charged Ions in Rare Earth Permanent Magnet Penning Traps

July 13, 2012
Author(s)
Nicholas D. Guise, Samuel Brewer, Joseph Tan
A newly constructed apparatus at the United States National Institute of Standards and Technology (NIST) is designed for the isolation, manipulation, and study of highly charged ions. Highly charged ions are produced in the NIST electron-beam ion trap

Identification of Isethionic Acid and Other Small Molecule Metabolites of Fragilariopsis cylindrus with Nuclear Magnetic Resonance

July 8, 2012
Author(s)
Dan Bearden, Arezue F. Boroujerdi, Peter A. Lee, Giacomo R. DiTullio, Michael G. Janech, Sarah B. Vied
Nuclear magnetic resonance (NMR)-spectroscopy has been used to obtain metabolic profiles of the polar diatom Fragilariopsis cylindrus, leading to the identification of a novel metabolite in this organism. Initial results from an ongoing metabolomics study
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