@article {2120,
	title = {Identification and structural characterization of a CBP/p300-binding domain from the ETS family transcription factor GABP alpha},
	journal = {Journal of Molecular Biology},
	volume = {377},
	number = {3},
	year = {2008},
	note = {ISI Document Delivery No.: 293ZPTimes Cited: 5Cited Reference Count: 60Kang, Hyun-Seo Nelson, Mary L. Mackereth, Cameron D. Scharpf, Manuela Graves, Barbara J. McIntosh, Lawrence P.},
	month = {Mar},
	pages = {636-646},
	type = {Article},
	abstract = {Using NMR spectroscopy, we identified and characterized a previously unrecognized structured domain near the N-terminus (residues 35-121) of the ETS family transcription factor GABP alpha. The monomeric domain folds as a five-stranded beta-sheet crossed by a distorted helix. Although globally resembling ubiquitin, the GABP(x fragment differs in its secondary structure topology and thus appears to represent a new protein fold that we term the OST (On-SighT) domain. The surface of the GABP alpha OST domain contains two predominant clusters of negatively-charged residues suggestive of electrostatically driven interactions with positively-charged partner proteins. Following a best-candidate approach to identify such a partner, we demonstrated through NMR-monitored titrations and glutathione S-transferase pulldown assays that the OST domain binds to the CH1 and CH3 domains of the co-activator histone acetyltransferase CBP/p300. This provides a direct structural link between GABP and a central component of the transcriptional machinery. (C) 2008 Elsevier Ltd. All rights reserved.},
	keywords = {BACKBONE DYNAMICS, C-13-LABELED PROTEINS, CREB-BINDING-PROTEIN, ESCHERICHIA-COLI, HIGH-RESOLUTION, HYPOXIA-INDUCIBLE FACTOR-1-ALPHA, LARGER PROTEINS, NEUROMUSCULAR-JUNCTION, NMR, NMR EXPERIMENTS, protein-protein interaction, RESIDUAL DIPOLAR COUPLINGS, SPECTROSCOPY, TRANSCRIPTION FACTOR, UBIQUITIN},
	isbn = {0022-2836},
	url = {<Go to ISI>://000255374200006},
	author = {Kang, H. S. and Nelson, M. L. and Mackereth, C. D. and Scharpf, M. and Graves, B. J. and McIntosh, L. P.}
}
@article {1580,
	title = {Ion pair dissociation: Spectroscopy and dynamics},
	journal = {Annual Review of Physical Chemistry},
	volume = {57},
	year = {2006},
	note = {ISI Document Delivery No.: 044JOTimes Cited: 26Cited Reference Count: 82Suits, Arthur G. Hepburn, John W.},
	pages = {431-465},
	type = {Review},
	abstract = {Ion pair dissociation processes may be studied Using coherent vacuum Ultraviolet laser sources in a manner entirely analogous to photoelectron spectroscopy, albeit with the anion playing the role of a heavy electron. If the excitation energy is above the dissociation energy and the kinetic energy of the fragment is measured Using ion imaging. this approach is termed ion pair imaging spectroscopy (IPIS) and is related to conventional photoelectron spectroscopy. If the excitation energy is just below the dissociation energy and pulsed-field dissociation is employed, this approach is analogous to mass analyzed threshold ionization (MATI) spectroscopy and is termed threshold ion pair production spectroscopy (TIPPS). These approaches provide a novel means of investigating ion thermochemistry and spectroscopy and superexcited state decay dynamics at high resolution.},
	keywords = {cation, ENERGY, HIGH-RESOLUTION, ion imaging, IONIZATION, METHYL, MOLECULAR-OXYGEN, NEGATIVE-IONS, PHOTODISSOCIATION DYNAMICS, PHOTOELECTRON-SPECTROSCOPY, PHOTOIONIZATION, superexcited states, TIPPS, VACUUM-ULTRAVIOLET, velocity map imaging, VUV, ZEKE},
	isbn = {0066-426X},
	url = {<Go to ISI>://000237668700015},
	author = {Suits, A. G. and Hepburn, J. W.}
}
@article {1618,
	title = {Sub-angstrom conformational changes of a single molecule captured by AFM variance analysis},
	journal = {Biophysical Journal},
	volume = {90},
	number = {10},
	year = {2006},
	note = {ISI Document Delivery No.: 034CETimes Cited: 20Cited Reference Count: 34},
	month = {May},
	pages = {3806-3812},
	type = {Article},
	abstract = {A system{\textquoteright}s equilibrium variance can be analyzed to probe its underlying dynamics at higher resolution. Here, using single-molecule atomic-force microscope techniques, we show how the variance in the length of a single dextran molecule can be used to establish thermodynamic equilibrium and to detect conformational changes not directly observable with other methods. Dextran is comprised of a chain of pyranose rings that each undergoes an Angstrom-scale transition from a chair to boat conformation under a stretching force. Our analysis of the variance of the molecule{\textquoteright}s fluctuations verifies equilibrium throughout the force-extension curve, consistent with the expected thermodynamic ensemble. This validates further analysis of the variance in the transition region, which reveals an intermediate conformation between the chair and the boat on the sub-Angstrom scale. Our test of thermal equilibrium as well as our variance analysis can be readily extended to a wide variety of molecules, including proteins.},
	keywords = {ATOMIC-FORCE MICROSCOPE, CHAIR-BOAT TRANSITIONS, HIGH-RESOLUTION, LIQUIDS, MECHANICAL FORCE, POLYSACCHARIDES, PROTEIN, RNA MOLECULES, SPECTROSCOPY, UBIQUITIN},
	isbn = {0006-3495},
	url = {<Go to ISI>://000236901400043},
	author = {Walther, K. A. and Brujic, J. and Li, H. B. and Fernandez, J. M.}
}
@article {1244,
	title = {Investigation of selected baseline removal techniques as candidates for automated implementation},
	journal = {Applied Spectroscopy},
	volume = {59},
	number = {5},
	year = {2005},
	note = {ISI Document Delivery No.: 924MITimes Cited: 33Cited Reference Count: 122},
	month = {May},
	pages = {545-574},
	type = {Review},
	abstract = {Observed spectra normally contain spurious features along with those of interest and it is common practice to employ one of several available algorithms to remove the unwanted components. Low frequency spurious components are often referred to as {\textquoteright}baseline{\textquoteright}, {\textquoteright}background{\textquoteright}, and/or {\textquoteright}background noise{\textquoteright}. Here we examine a cross-section of non-instrumental methods designed to remove background features from spectra; the particular methods considered here represent approaches with different theoretical underpinnings. We compare and evaluate their relative performance based on synthetic data sets designed to exemplify vibrational spectroscopic signals in realistic contexts and thereby assess their suitability for computer automation. Each method is presented in a modular format with a concise review of the underlying theory, along with a comparison and discussion of their strengths, weaknesses, and amenability to automation, in order to facilitate the selection of methods best suited to particular applications.},
	keywords = {artificial neural networks, automated baseline determination, BACKGROUND SUBTRACTION, baseline, baseline correction, DERIVATIVE SPECTROSCOPY, DIMENSIONAL NMR-SPECTRA, first derivative, Fourier transforms, GAMMA-RAY SPECTRA, GAS-CHROMATOGRAPHY, HIGH-RESOLUTION, INFRARED SPECTROMETRY, local regression, maximum entropy, noise median, peak picking, peak stripping, QUANTITATIVE-ANALYSIS, RAMAN-SPECTROSCOPY, REMOVAL, SHIFTED, spectral shifting, TIME-DOMAIN DATA, wavelet transforms},
	isbn = {0003-7028},
	url = {<Go to ISI>://000228982500001},
	author = {Schulze, G. and Jirasek, A. and Yu, M. M. L. and Lim, A. and Turner, R. F. B. and Blades, M. W.}
}
@article {1244,
	title = {Investigation of selected baseline removal techniques as candidates for automated implementation},
	journal = {Applied Spectroscopy},
	volume = {59},
	number = {5},
	year = {2005},
	note = {ISI Document Delivery No.: 924MITimes Cited: 33Cited Reference Count: 122},
	month = {May},
	pages = {545-574},
	type = {Review},
	abstract = {Observed spectra normally contain spurious features along with those of interest and it is common practice to employ one of several available algorithms to remove the unwanted components. Low frequency spurious components are often referred to as {\textquoteright}baseline{\textquoteright}, {\textquoteright}background{\textquoteright}, and/or {\textquoteright}background noise{\textquoteright}. Here we examine a cross-section of non-instrumental methods designed to remove background features from spectra; the particular methods considered here represent approaches with different theoretical underpinnings. We compare and evaluate their relative performance based on synthetic data sets designed to exemplify vibrational spectroscopic signals in realistic contexts and thereby assess their suitability for computer automation. Each method is presented in a modular format with a concise review of the underlying theory, along with a comparison and discussion of their strengths, weaknesses, and amenability to automation, in order to facilitate the selection of methods best suited to particular applications.},
	keywords = {artificial neural networks, automated baseline determination, BACKGROUND SUBTRACTION, baseline, baseline correction, DERIVATIVE SPECTROSCOPY, DIMENSIONAL NMR-SPECTRA, first derivative, Fourier transforms, GAMMA-RAY SPECTRA, GAS-CHROMATOGRAPHY, HIGH-RESOLUTION, INFRARED SPECTROMETRY, local regression, maximum entropy, noise median, peak picking, peak stripping, QUANTITATIVE-ANALYSIS, RAMAN-SPECTROSCOPY, REMOVAL, SHIFTED, spectral shifting, TIME-DOMAIN DATA, wavelet transforms},
	isbn = {0003-7028},
	url = {<Go to ISI>://000228982500001},
	author = {Schulze, G. and Jirasek, A. and Yu, M. M. L. and Lim, A. and Turner, R. F. B. and Blades, M. W.}
}
@article {1165,
	title = {The structural and dynamic basis of Ets-1 DNA binding autoinhibition},
	journal = {Journal of Biological Chemistry},
	volume = {280},
	number = {8},
	year = {2005},
	note = {ISI Document Delivery No.: 902DTTimes Cited: 19Cited Reference Count: 73},
	month = {Feb},
	pages = {7088-7099},
	type = {Article},
	abstract = {The transcription factor Ets-1 is regulated by the allosteric coupling of DNA binding with the unfolding of an alpha-helix (HI-1) within an autoinhibitory module. To understand the structural and dynamic basis for this autoinhibition, we have used NAIR spectroscopy to characterize Ets-1DeltaN301, a partially inhibited fragment of Ets-1. The NMR-derived Ets-1DeltaN301 structure reveals that the autoinhibitory module is formed predominantly by the hydrophobic packing of helices from the N-terminal (HI-1, HI-2) and C-terminal (114, 115) inhibitory sequences, along with H1 of the intervening DNA binding ETS domain. The intramolecular interactions made by HI-1 in Ets-1DeltaN301 are similar to the intermolecular contacts observed in the crystal structure of an Ets-1DeltaN300 dimer, confirming that the latter represents a domain-swapped species. N-15 relaxation studies demonstrate that the backbone of the N-terminal inhibitory sequence is mobile on the nanosecond-picosecond and millisecond-microsecond time scales. Furthermore, hydrogen exchange measurements reveal that amide protons in helices HI-I and HI-2 exchange with water at rates only similar to15- and similar to75-fold slower, respectively, than predicted for an unfolded polypeptide. These findings indicate that inhibitory helices are only marginally stable even in the absence of DNA. The energetic coupling of DNA binding with the facile unfolding of the labile HI-1 provides a mechanism for modulating Ets-1 DNA binding activity via protein partnerships, post-translational modifications, or mutations. Ets-1 autoinhibition illustrates how conformational equilibria within structural domains can regulate macromolecular interactions.},
	keywords = {BACKBONE DYNAMICS, CHEMICAL-EXCHANGE, DIPOLAR COUPLINGS, Ets-1, GROUP HYDROGEN-EXCHANGE, HIGH-RESOLUTION, MURINE, N-15 NMR RELAXATION, POINTED DOMAIN, SECONDARY STRUCTURE, SIDE-CHAINS},
	isbn = {0021-9258},
	url = {<Go to ISI>://000227332700099},
	author = {Lee, G. M. and Donaldson, L. W. and Pufall, M. A. and Kang, H. S. and Pot, I. and Graves, B. J. and McIntosh, L. P.}
}
@article {826,
	title = {Microwave spectra, nuclear field shift effects, geometries and hyperfine constants of bismuth mononitride, BiN, and bismuth monophosphide, BiP},
	journal = {Journal of Molecular Structure},
	volume = {695},
	year = {2004},
	note = {ISI Document Delivery No.: 827SVTimes Cited: 11Cited Reference Count: 66Sp. Iss. SI},
	month = {Jun},
	pages = {13-22},
	type = {Article},
	abstract = {The diatomic molecules BiN and BiP have been prepared using a laser ablation technique and studied by Fourier transform microwave spectroscopy in the frequency range 7-22 GHz. For BiN, only the J = 1-0 transition fell within this range. Transitions for the ground and first excited vibrational states have been observed for both (BiN)-N-14 and (BiN)-N-15. For BiP, which has only one isotopomer, the transitions J{\textquoteright}-J" = 1-0. 2-1 and 3-2 have been observed, but only for the ground vibrational state. Hyperfine structure has been observed for both nuclei in both molecules the Bi-209 nuclear quadrupole coupling constants show that the electronic structures are similar for the two molecules. Improved bond lengths have been obtained for both molecules. Density functional methods have been used to estimate the electron density at the bismuth nucleus in each molecule and hence allow an estimate of the uncertainty due to field shift effects in the experimentally derived bond lengths. (C) 2003 Elsevier B.V. All rights reserved.},
	keywords = {BII, BiN, BiP, BORN-OPPENHEIMER APPROXIMATION, Born-Oppenheimer breakdown, DIATOMIC-MOLECULES, DUNHAM COEFFICIENTS, FOURIER-TRANSFORM SPECTROSCOPY, GROUND-STATE, HIGH-RESOLUTION, HYPERFINE, IODIDE, ISOTOPE DEPENDENCE, microwave spectra, MOMENTS, nuclear field shift effects, QUADRUPOLE, ROTATIONAL SPECTRUM, STRUCTURE},
	isbn = {0022-2860},
	url = {<Go to ISI>://000221922000003},
	author = {Cooke, S. A. and Michaud, J. M. and Gerry, M. C. L.}
}
@article {422,
	title = {Matrix methods for the calculation of stability diagrams in quadrupole mass spectrometry},
	journal = {Journal of the American Society for Mass Spectrometry},
	volume = {13},
	number = {6},
	year = {2002},
	note = {ISI Document Delivery No.: 557DZTimes Cited: 24Cited Reference Count: 47},
	month = {Jun},
	pages = {597-613},
	type = {Article},
	abstract = {The theory of the computer calculation of the stability of ion motion in periodic quadrupole fields is considered. A matrix approach for the numerical solution of the Hill equation and examples of calculations of stability diagrams are described. The advantage of this method is that it can be used for any periodic waveform. The stability diagrams with periodic rectangular waveform voltages are calculated with this approach. Calculations of the conventional stability diagram of the 3-D ion trap and the first six regions of stability of a mass filter with this method are presented. The stability of the ion motion for the case of a trapping voltage with two or more frequencies is also discussed. It is shown that quadrupole excitation with the rational angular frequency omega = NOmega/P (where N, P are integers and Omega is the angular frequency of the trapping field) leads to splitting of the stability diagram along iso-P lines. Each stable region of the unperturbed diagram splits into P stable bands. The widths of the unstable resonance lines depend on the amplitude of the auxiliary voltage and the frequency. With a low auxiliary frequency splitting of the stability diagram is greater near the boundaries of the unperturbed diagram. It is also shown that amplitude modulation of the trapping RF voltage by an auxiliary signal is equivalent to quadrupole excitation with three frequencies. The effect of modulation by a rational frequency is similar to the case of quadrupole excitation, although splitting of the stability diagram differs to some extent. The methods and results of these calculations will be useful for studies of higher stability regions, resonant excitation, and non-sinusoidal trapping voltages. (J Am Soc Mass Spectrom 2002, 13, 597-613) (C) 2002 American Society for Mass Spectrometry.},
	keywords = {CLOUD, EXCITATION, FILTER, FREQUENCY, HIGH-RESOLUTION, ION-TRAP, OPERATION, PARAMETRIC RESONANCES, PAUL TRAP, REGION},
	isbn = {1044-0305},
	url = {<Go to ISI>://000175893800003},
	author = {Konenkov, N. V. and Sudakov, M. and Douglas, D. J.}
}
@article {355,
	title = {The pure rotational spectrum, geometry and hyperfine constants of hafnium monosulfide, HfS},
	journal = {Journal of Molecular Spectroscopy},
	volume = {216},
	number = {1},
	year = {2002},
	note = {ISI Document Delivery No.: 622VATimes Cited: 12Cited Reference Count: 47},
	month = {Nov},
	pages = {122-130},
	type = {Article},
	abstract = {{The pure rotational spectra of seven isotopomers of hafnium monosulfide have been measured for several vibrational states. For the most abundant isotopomer, (HfS)-Hf-180-S-32, the J = 1 - 0},
	keywords = {BORN-OPPENHEIMER APPROXIMATION, DIATOMIC-MOLECULES, DIPOLE-MOMENTS, DUNHAM COEFFICIENTS, EMISSION-SPECTRUM, FOURIER-TRANSFORM SPECTROSCOPY, HIGH-RESOLUTION, ISOTOPE DEPENDENCE, MICROWAVE SPECTROSCOPY, STATES},
	isbn = {0022-2852},
	url = {<Go to ISI>://000179666700015},
	author = {Cooke, S. A. and Gerry, M. C. L.}
}
@article {4528,
	title = {Elemental analysis with quadrupole mass filters operated in higher stability regions},
	journal = {Journal of Analytical Atomic Spectrometry},
	volume = {14},
	number = {8},
	year = {1999},
	note = {ISI Document Delivery No.: 229LPTimes Cited: 23Cited Reference Count: 47},
	month = {Aug},
	pages = {1111-1119},
	type = {Article},
	abstract = {Operation of quadrupole mass filters in higher zones of stability is described with an emphasis on the potential for elemental mass spectrometry. The higher zones allow a resolution at half height of up to 9000 on atomic ions and make possible unit resolution on ions with kinetic energies up to several thousand electron volts. The theory of quadrupole operation is briefly reviewed. Operation of quadrupoles in the third stability region with Mathieu parameters (a,q)approximate to(3,3) and the second stability region with (a,q)approximate to(0.02, 7.55) is described in detail. Previously unpublished data showing the variation of resolution with ion energy are presented. The variation of transmission with resolution is compared with previous calculations and with new calculations presented here.},
	keywords = {2ND, ANALYZER, ATMOSPHERE, DIAGRAM, HELIUM, HIGH-RESOLUTION, ICP-MS, SEPARATION MODE, SPECTROMETER, ZONE},
	isbn = {0267-9477},
	url = {<Go to ISI>://000082196300002},
	author = {Du, Z. H. and Douglas, D. J. and Konenkov, N.}
}
@article {3945,
	title = {Inductively coupled plasma mass spectrometry with a quadrupole mass filter operated in the third stability region},
	journal = {Journal of the American Society for Mass Spectrometry},
	volume = {8},
	number = {12},
	year = {1997},
	note = {ISI Document Delivery No.: YG420Times Cited: 18Cited Reference Count: 31},
	month = {Dec},
	pages = {1230-1236},
	type = {Article},
	abstract = {An inductively coupled plasma mass spectrometer system is described in which the quadrupole mass filter is operated in the third stability region with Mathieu parameters (a, q) approximate to (3, 3). Operation at the upper tip of this region is found to give generally better sensitivity and resolution than operation at the lower tip. A limiting resolution at half height of 4000 at m/z 59 is possible with operation at the upper tip. This resolution is insufficient to separate atomic ions from molecular ions of the same nominal mass except in favorable cases. However, operation at moderate resolution (R-1/2 = 500 to 1000) is found to give very high abundance sensitivity (>10(7)). The results suggest that the third stability region may be advantageous for specialized applications of inductively coupled plasma mass spectrometry. (C) 1997 American Society for Mass Spectrometry.},
	keywords = {ANALYZER, HELIUM, HIGH-RESOLUTION, IMPERFECT FIELDS, INTERFERENCES, ION OPTICAL-PROPERTIES, MODE, SEPARATION},
	isbn = {1044-0305},
	url = {<Go to ISI>://A1997YG42000005},
	author = {Du, Z. H. and Olney, T. N. and Douglas, D. J.}
}
@article {2996,
	title = {SUB-DOPPLER SPECTROSCOPY OF THIOFORMALDEHYDE - EXCITED-STATE PERTURBATIONS AND EVIDENCE FOR ROTATION-INDUCED VIBRATIONAL MIXING IN THE GROUND-STATE},
	journal = {Journal of Chemical Physics},
	volume = {101},
	number = {9},
	year = {1994},
	note = {ISI Document Delivery No.: PP519Times Cited: 9Cited Reference Count: 50},
	month = {Nov},
	pages = {7300-7310},
	type = {Article},
	abstract = {High-resolution intracavity dye laser spectroscopy has been used to obtain sub-Doppler spectra of transitions to 350 rotational levels in the 4(0)(1) band of the ($) over tilde A (1)A(2)-($) over tilde X (1)A(1) electronic transition of thioformaldehyde. Ground state combination differences from the sub-Doppler spectra, combined with microwave and infrared data, have been used to improve the ground state rotational and centrifugal distortion constants of H2CS. The upper state shows a remarkable number of perturbations. The largest of these are caused by nearby triplet levels, with matrix elements of 0.05-0.15 cm(-1). A particularly clear singlet-triplet avoided crossing in K-a{\textquoteright} = 7 has been shown to be caused by interaction with the F-1 component of the 3(1)6(2) vibrational level of the ($) over tilde a (3)A(2) state. At least 53\% of the S-1 levels show evidence of very small perturbations by high rovibronic levels of the ground state. The number of such perturbations is small at low J, but increases rapidly beyond J=5 such that 40\%-80\% of the observed S-1 levels of any given J are perturbed by ground state levels. Model calculations show that the density and J dependence of the number of perturbed levels can be explained if there is extensive rotation-induced mixing of the vibrational levels in the ground state.},
	keywords = {ANTICROSSING SPECTROSCOPY, HIGH ROVIBRONIC LEVELS, HIGH-RESOLUTION, LASER, LEVEL, OPTICAL DOUBLE-RESONANCE, POLYATOMIC-MOLECULES, POTENTIAL-ENERGY, PYROLYSIS JET SPECTROSCOPY, QUANTUM BEAT SPECTROSCOPY, SINGLET-TRIPLET PERTURBATIONS, SPECTROSCOPY, SURFACES},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1994PP51900012},
	author = {Clouthier, D. J. and Huang, G. and Adam, A. G. and Merer, A. J.}
}
