| 1 |
2020 |
A Combined Infrared Ion Spectroscopy and Computational Chemistry Study of Hydroxyproline Isomers. |
--- |
| 2 |
2020 |
Advantages of Two-Dimensional Electron-Induced Dissociation and Infrared Multiphoton Dissociation Mass Spectrometry for the Analysis of Agrochemicals. |
EID, ppb, ppm |
| 3 |
2020 |
An IRMPD spectroscopic and computational study of protonated guanine-containing mismatched base pairs in the gas phase. |
1MT, 9eG, 9mA |
| 4 |
2020 |
Applications of Infrared Multiple Photon Dissociation (IRMPD) to the Detection of Posttranslational Modifications. |
MS/MS, PTMs |
| 5 |
2020 |
Carbide Dihydrides: Carbonaceous Species Identified in Ta4 + -Mediated Methane Dehydrogenation. |
--- |
| 6 |
2020 |
Carbon Dioxide Activation at Metal Centers: Evolution of Charge Transfer from Mg .+ to CO2 in [MgCO2 (H2 O)n ].+ , n=0-8. |
--- |
| 7 |
2020 |
Development of a photoinduced fragmentation ion trap for infrared multiple photon dissociation spectroscopy. |
OPO/OPA |
| 8 |
2020 |
Evidence for lactone formation during infrared multiple photon dissociation spectroscopy of bromoalkanoate doped salt clusters. |
FTICR, IR |
| 9 |
2020 |
Gas phase dynamics, conformational transitions and spectroscopy of charged saccharides: the oxocarbenium ion, protonated anhydrogalactose and protonated methyl galactopyranoside. |
AIMD, VSCF |
| 10 |
2020 |
Infrared Multiple Photon Dissociation Spectroscopy of Hydrated Cobalt Anions Doped with Carbon Dioxide CoCO2 (H2 O)n - , n=1-10, in the C-O Stretch Region. |
HOCO |
| 11 |
2020 |
Insights into Cisplatin Binding to Uracil and Thiouracils from IRMPD Spectroscopy and Tandem Mass Spectrometry. |
CID |
| 12 |
2020 |
Mass-Spectrometry-Based Identification of Synthetic Drug Isomers Using Infrared Ion Spectroscopy. |
IR, IRIS, NPS |
| 13 |
2020 |
Mechanistic examination of Calpha -Cbeta tyrosyl bond cleavage: Spectroscopic investigation of the generation of alpha-glycyl radical cations from tyrosyl (glycyl/alanyl)tryptophan. |
DFT, G/A |
| 14 |
2020 |
Mechanistic study of Pd/NHC-catalyzed Sonogashira reaction: discovery of NHC-ethynyl coupling process. |
BDEs, CID, NHC |
| 15 |
2020 |
Noncovalent Complexes of Cyclodextrin with Small Organic Molecules: Applications and Insights into Host-Guest Interactions in the Gas Phase and Condensed Phase. |
CDs, DFT, NMR |
| 16 |
2020 |
Structure of Proton-Bound Methionine and Tryptophan Dimers in the Gas Phase Investigated with IRMPD Spectroscopy and Quantum Chemical Calculations. |
--- |
| 17 |
2020 |
Ultrahigh Resolution Ion Isolation by Stored Waveform Inverse Fourier Transform 21 T Fourier Transform Ion Cyclotron Resonance Mass Spectrometry. |
FTICR, SWIFT, UVPD |
| 18 |
2020 |
Unravelling the Keto-Enol Tautomer Dependent Photochemistry and Degradation Pathways of the Protonated UVA Filter Avobenzone. |
AB |
| 19 |
2020 |
Zinc and cadmium complexation of L-methionine: An infrared multiple photon dissociation spectroscopy and theoretical study. |
Met |
| 20 |
2019 |
Benzoxazine Formation Mechanism Evaluation by Direct Observation of Reaction Intermediates. |
--- |
| 21 |
2019 |
Effects of complexation with sulfuric acid on the photodissociation of protonated Cinchona alkaloids in the gas phase. |
CD, DFT-D, QD, QN |
| 22 |
2019 |
Hydrogen bonding in alkali metal cation-bound i-motif-like dimers of 1-methyl cytosine: an IRMPD spectroscopic and computational study. |
1-mCyt |
| 23 |
2019 |
Impact of the 2'- and 3'-Sugar Hydroxyl Moieties on Gas-Phase Nucleoside Structure. |
HIV |
| 24 |
2019 |
Infrared multiple photon dissociation action spectroscopy of protonated glycine, histidine, lysine, and arginine complexed with 18-crown-6 ether. |
AAs, Arg, CLIO, Gly, His, Lys |
| 25 |
2019 |
Infrared Spectra of Deprotonated Dicarboxylic Acids: IRMPD Spectroscopy and Empirical Valence-Bond Modeling. |
EVB |
| 26 |
2019 |
Probing the gas-phase structure of charge-tagged intermediates of a proline catalyzed aldol reaction - vibrational spectroscopy distinguishes oxazolidinone from enamine species. |
DFT, ESI |
| 27 |
2019 |
Protoisomerization of Indigo and Isoindigo Dyes Confirmed by Gas-Phase Infrared Ion Spectroscopy. |
FELIX, QIT |
| 28 |
2019 |
Structural and Energetic Effects of O2'-Ribose Methylation of Protonated Pyrimidine Nucleosides. |
ER-CID |
| 29 |
2019 |
Structural and Energetic Effects of O2'-Ribose Methylation of Protonated Pyrimidine Nucleosides. |
ER-CID |
| 30 |
2019 |
The K2(9-ethylguanine)122+ quadruplex is more stable to unimolecular dissociation than the K(9-ethylguanine)8+ quadruplex in the gas phase: a BIRD, energy resolved SORI-CID, IRMPD spectroscopic, and computational study. |
9eG, 9eG, BIRD, SORI-CID |
| 31 |
2019 |
Vibrational signatures of curcumin's chelation in copper(II) complexes: An appraisal by IRMPD spectroscopy. |
CUR |
| 32 |
2018 |
A Comparative IRMPD and DFT Study of Fe3+ and UO22+ Complexation with N-Methylacetohydroxamic Acid. |
CID, DFT, NMAH |
| 33 |
2018 |
An Unprecedented Retro-Mumm Rearrangement Revealed by ESI-MS/MS, IRMPD Spectroscopy, and DFT Calculations. |
--- |
| 34 |
2018 |
Application of Tandem Two-Dimensional Mass Spectrometry for Top-Down Deep Sequencing of Calmodulin. |
CaM, FTICR, TDP |
| 35 |
2018 |
Binding of Divalent Metal Ions with Deprotonated Peptides: Do Gas-Phase Anions Parallel the Condensed Phase? |
ATCUN |
| 36 |
2018 |
Bottom-Up Two-Dimensional Electron-Capture Dissociation Mass Spectrometry of Calmodulin. |
BUP, CaM, ECD, TDP |
| 37 |
2018 |
Chiral differentiation of d- and l-isoleucine using permethylated beta-cyclodextrin: infrared multiple photon dissociation spectroscopy, ion-mobility mass spectrometry, and DFT calculations. |
DFT, Ile, perCD |
| 38 |
2018 |
Competition between salt bridge and non-zwitterionic structures in deprotonated amino acid dimers. |
NZ, SB |
| 39 |
2018 |
Complexation of halide ions to tyrosine: role of non-covalent interactions evidenced by IRMPD spectroscopy. |
nitroTyr |
| 40 |
2018 |
Conformations of Protonated AlaDap and DapAla Characterized by IRMPD Spectroscopy and Molecular Modeling. |
Ala, Dap |
| 41 |
2018 |
Determination of soyasaponins in Fagioli di Sarconi beans (Phaseolus vulgaris L.) by LC-ESI-FTICR-MS and evaluation of their hypoglycemic activity. |
FTICR, MS, RPLC |
| 42 |
2018 |
Experimental and theoretical investigations of infrared multiple photon dissociation spectra of arginine complexes with Zn2+ and Cd2. |
Arg, Arg |
| 43 |
2018 |
Experimental and Theoretical Investigations of Infrared Multiple Photon Dissociation Spectra of Aspartic Acid Complexes with Zn2+ and Cd2. |
Asn, Asp |
| 44 |
2018 |
Infrared ion spectroscopy: an analytical tool for the study of metabolites. |
--- |
| 45 |
2018 |
Infrared Multiphoton Dissociation Spectroscopy with Free-Electron Lasers: On the Road from Small Molecules to Biomolecules. |
FEL |
| 46 |
2018 |
Infrared-Driven Charge-Transfer in Transition Metal-Containing B12X122- (X = H, F) Clusters. |
DFT |
| 47 |
2018 |
Insights from ion mobility-mass spectrometry, infrared spectroscopy, and molecular dynamics simulations on nicotinamide adenine dinucleotide structural dynamics: NAD+vs. NADH. |
NAD, TIMS-MS |
| 48 |
2018 |
Inverse Sandwich Cyclopentadienyl Complexes of Sodium in the Gas Phase. |
--- |
| 49 |
2018 |
Modified Quadrupole Ion Trap Mass Spectrometer for Infrared Ion Spectroscopy: Application to Protonated Thiated Uridines. |
OPO |
| 50 |
2018 |
Online Separation and Identification of Isomers Using Infrared Multiple Photon Dissociation Ion Spectroscopy Coupled to Liquid Chromatography: Application to the Analysis of Disaccharides Regio-Isomers and Monosaccharide Anomers. |
HPLC |
| 51 |
2018 |
Resolution and Assignment of Differential Ion Mobility Spectra of Sarcosine and Isomers. |
aa, DIMS, MRM, MS/MS |
| 52 |
2018 |
Solvation effects on the N-O and O-H stretching modes in hydrated NO3-(H2O)n clusters. |
--- |
| 53 |
2018 |
Spectroscopic Identification of the Carbyne Hydride Structure of the Dehydrogenation Product of Methane Activation by Osmium Cations. |
DFT, FELICE |
| 54 |
2018 |
Structures and magnetic properties of small [Formula: see text] and Co n-1Cr+ (n = 3-5) clusters. |
DFT |
| 55 |
2018 |
Structures of the dehydrogenation products of methane activation by 5d transition metal cations revisited: Deuterium labeling and rotational contours. |
DFT |
| 56 |
2018 |
The structures and properties of anionic tryptophan complexes. |
--- |
| 57 |
2018 |
Top-Down Deep Sequencing of Ubiquitin Using Two-Dimensional Mass Spectrometry. |
BUP, CAD, ECD, FTICR, ISD, TDP, UBI |
| 58 |
2018 |
Topology and Electronic Density Driven Generation of Alkali Cation Complexes. |
--- |
| 59 |
2018 |
Uranyl/12-crown-4 Ether Complexes and Derivatives: Structural Characterization and Isomeric Differentiation. |
CID |
| 60 |
2018 |
Vibrational Predissociation Spectroscopy of Cold Protonated Tryptophan with Different Messenger Tags. |
--- |
| 61 |
2017 |
Amine vs. carboxylic acid protonation in ortho-, meta-, and para-aminobenzoic acid: An IRMPD spectroscopy study. |
--- |
| 62 |
2017 |
Ammoniated Complexes of Uracil and Transition Metal Ions: Structures of [M(Ura-H)(Ura)(NH3)]+ by IRMPD Spectroscopy and Computational Methods (M = Fe, Co, Ni, Cu, Zn, Cd). |
--- |
| 63 |
2017 |
Application of higher energy collisional dissociation (HCD) to the fragmentation of new DOTA-based labels and N-termini DOTA-labeled peptides. |
CID, HCD |
| 64 |
2017 |
Charge-state Resolved Infrared Multiple Photon Dissociation (IRMPD) Spectroscopy of Ubiquitin Ions in the Gas Phase. |
--- |
| 65 |
2017 |
Cleaving Off Uranyl Oxygens through Chelation: A Mechanistic Study in the Gas Phase. |
CID, DFT, MS |
| 66 |
2017 |
Conformation of protonated glutamic acid at room and cryogenic temperatures. |
--- |
| 67 |
2017 |
Cytosine Radical Cations: A Gas-Phase Study Combining IRMPD Spectroscopy, UVPD Spectroscopy, Ion-Molecule Reactions, and Theoretical Calculations. |
UVPD |
| 68 |
2017 |
Effects of ESI conditions on kinetic trapping of the solution-phase protonation isomer of p-aminobenzoic acid in the gas phase. |
ESI, PABA |
| 69 |
2017 |
Effects of sodium cationization versus protonation on the conformations and N-glycosidic bond stabilities of sodium cationized Urd and dUrd: solution conformation of [Urd+Na]+ is preserved upon ESI. |
DFT, dUrd, ER-CID, Urd |
| 70 |
2017 |
Ergothioneine and related histidine derivatives in the gas phase: tautomer structures determined by IRMPD spectroscopy and theory. |
DFT, ET |
| 71 |
2017 |
Experimental and theoretical investigations of infrared multiple photon dissociation spectra of glutamic acid complexes with Zn2+ and Cd2. |
Glu, Glu |
| 72 |
2017 |
Facile pentagon formation in the dissociation of polyaromatics. |
PAHs |
| 73 |
2017 |
Fingerprints of Both Watson-Crick and Hoogsteen Isomers of the Isolated (Cytosine-Guanine)H+ Pair. |
DIMS |
| 74 |
2017 |
Gas-Phase Conformations and N-Glycosidic Bond Stabilities of Sodium Cationized 2'-Deoxyguanosine and Guanosine: Sodium Cations Preferentially Bind to the Guanine Residue. |
dGuo, ER-CID, Guo |
| 75 |
2017 |
Gas-phase vibrational spectroscopy of triphenylamine: the effect of charge on structure and spectra. |
DFT, TPA |
| 76 |
2017 |
Hydrogen Chemisorption on Singly Vanadium-Doped Aluminum Clusters. |
DFT |
| 77 |
2017 |
Hydrogen Liberation from Gaseous 2-Bora-1,3-diazacycloalkanium Cations. |
CAD |
| 78 |
2017 |
Identification of the protonation site of gaseous triglycine: the cis-peptide bond conformation as the global minimum. |
GB, NEXAFS, PA, XPS |
| 79 |
2017 |
Implementation of Activated Ion Electron Transfer Dissociation on a Quadrupole-Orbitrap-Linear Ion Trap Hybrid Mass Spectrometer. |
AI-ETD, ETD, QLT |
| 80 |
2017 |
Improved Infrared Spectra Prediction by DFT from a New Experimental Database. |
MAE, RMSE, RSH |
| 81 |
2017 |
Influence of Transition Metal Cationization versus Sodium Cationization and Protonation on the Gas-Phase Tautomeric Conformations and Stability of Uracil: Application to [Ura+Cu]+ and [Ura+Ag]. |
--- |
| 82 |
2017 |
Infrared Multiple-Photon Dissociation Action Spectroscopy of the b2+ Ion from PPG: Evidence of Third Residue Affecting b2+ Fragment Structure. |
--- |
| 83 |
2017 |
Infrared spectroscopy of O˙- and OH- in water clusters: evidence for fast interconversion between O˙- and OH˙OH. |
--- |
| 84 |
2017 |
IRMPD Action Spectroscopy, ER-CID Experiments, and Theoretical Studies of Sodium Cationized Thymidine and 5-Methyluridine: Kinetic Trapping During the ESI Desolvation Process Preserves the Solution Structure of [Thd+Na]. |
ER-CID |
| 85 |
2017 |
N3 and O2 Protonated Conformers of the Cytosine Mononucleotides Coexist in the Gas Phase. |
--- |
| 86 |
2017 |
Probing the geometry reorganization from solution to gas-phase in putrescine derivatives by IRMPD, 1H-NMR and theoretical calculations. |
DFT, MC, SMD |
| 87 |
2017 |
Self-assembled uracil complexes containing tautomeric uracils: an IRMPD spectroscopic and computation study of the structures of gaseous uracilnCa2+ (n = 4, 5, or 6) complexes. |
ESI, FT-ICR MS |
| 88 |
2017 |
Spectroscopic Discrimination of Diastereomeric Complexes Involving an Axially Chiral Receptor. |
DD and DL, ESI |
| 89 |
2017 |
Structure and Dissociation Pathways of Protonated Tetralin (1,2,3,4-Tetrahydronaphthalene). |
--- |
| 90 |
2017 |
Targeted Annotation of S-Sulfonylated Peptides by Selective Infrared Multiphoton Dissociation Mass Spectrometry. |
DIA |
| 91 |
2017 |
The intrinsic basicity of the phosphate backbone exceeds that of uracil and thymine residues: protonation of the phosphate moiety is preferred over the nucleobase for pdThd and pUrd. |
--- |
| 92 |
2017 |
Undervalued N3 Coordination Revealed in the Cisplatin Complex with 2'-Deoxyadenosine-5'-monophosphate by a Combined IRMPD and Theoretical Study. |
5'-dAMP |
| 93 |
2017 |
Vibrational Signatures of Isomeric Lithiated N-acetyl-D-hexosamines by Gas-Phase Infrared Multiple-Photon Dissociation (IRMPD) Spectroscopy. |
DFT, GalNAc, GlcNAc, HexNAc, ManNAc |
| 94 |
2016 |
2,4-Dihydroxy and O2 Protonated Tautomers of dThd and Thd Coexist in the Gas Phase: Methylation Alters Protonation Preferences versus dUrd and Urd. |
OPO/OPA |
| 95 |
2016 |
2D FT-ICR MS of Calmodulin: A Top-Down and Bottom-Up Approach. |
CaM, ECD |
| 96 |
2016 |
A Grotthuss-like proton shuttle in the anomalous C2H3+ carbocation: energetic and vibrational properties for isotopologues. |
--- |
| 97 |
2016 |
Activation of C-H Bonds in Pt(+) + x CH4 Reactions, where x = 1-4: Identification of the Platinum Dimethyl Cation. |
--- |
| 98 |
2016 |
Changes in Tricarbastannatrane Transannular N-Sn Bonding upon Complexation Reveal Lewis Base Donicities. |
--- |
| 99 |
2016 |
Chirality-dependent structuration of protonated or sodiated polyphenylalanines: IRMPD and ion mobility studies. |
--- |
| 100 |
2016 |
Complexes of Ni(ii) and Cu(ii) with small peptides: deciding whether to deprotonate. |
DFT, Im |
A Search Service for Abbreviation / Long Form
