Xe affinities of water-soluble cryptophanes and the role of confined water.

scientific article published on 22 September 2015

Xe affinities of water-soluble cryptophanes and the role of confined water. is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1039/C5SC02401C
P932PMC publication ID5950801
P698PubMed publication ID29861959

P50authorOne-Sun LeeQ59557456
Jeffery G SavenQ87203210
P2093author name stringWenhao Liu
Ivan J Dmochowski
Lu Gao
P2860cites workHigh‐Temperature Equation of State by a Perturbation Method. I. Nonpolar GasesQ56745022
Xenon-129 MR imaging and spectroscopy of rat brain using arterial delivery of hyperpolarized xenon in a lipid emulsionQ60035879
Conformational Effects Induced by Guest Encapsulation in an Enantiopure Water-Soluble CryptophaneQ60734346
Extreme confinement of xenon by cryptophane-111 in the solid stateQ86279819
Strongly underestimated dispersion energy in cryptophanes and their complexesQ87516726
Solubility of gases in water: Correlation between solubility and the number of water molecules in the first solvation shellQ22306098
Comparison of simple potential functions for simulating liquid waterQ26778447
Detection and characterization of xenon-binding sites in proteins by 129Xe NMR spectroscopyQ27639606
VMD: visual molecular dynamicsQ27860554
Scalable molecular dynamics with NAMDQ27860718
Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanesQ29397708
NMR of hyperpolarized (129)Xe in the canine chest: spectral dynamics during a breath-holdQ30305788
Distribution and dynamics of laser-polarized (129)Xe magnetization in vivoQ30817470
Degeneracy in cryptophane-xenon complex formation in aqueous solutionQ30878972
Functionalized xenon as a biosensorQ31007010
Water soluble cryptophanes showing unprecedented affinity for xenon: candidates as NMR-based biosensorsQ31039281
Water soluble cucurbit[6]uril derivative as a potential Xe carrier for 129Xe NMR-based biosensorsQ31170126
Substituent effects on xenon binding affinity and solution behavior of water-soluble cryptophanesQ33411914
The R.E.D. tools: advances in RESP and ESP charge derivation and force field library buildingQ33614754
Effect of pH and counterions on the encapsulation properties of xenon in water-soluble cryptophanes.Q33707878
A water-soluble Xe@cryptophane-111 complex exhibits very high thermodynamic stability and a peculiar (129)Xe NMR chemical shift.Q33722399
The statistical-thermodynamic basis for computation of binding affinities: a critical reviewQ33915676
The first metal-free water-soluble cryptophane-111.Q33972583
Crystallographic observation of 'induced fit' in a cryptophane host-guest model systemQ35018410
Measurement of radon and xenon binding to a cryptophane molecular hostQ35090935
Binding Affinities of Host–Guest, Protein–Ligand, and Protein–Transition‐State ComplexesQ35568225
Motifs for molecular recognition exploiting hydrophobic enclosure in protein-ligand bindingQ35612259
Simulation optimization of spherical non-polar guest recognition by deep-cavity cavitands.Q37431778
Functionalized 129Xe contrast agents for magnetic resonance imagingQ37633017
Free energy via molecular simulation: applications to chemical and biomolecular systemsQ38648060
Cryptophanes and their complexes--present and futureQ40018002
Ligand Binding Pathway Elucidation for Cryptophane Host-Guest ComplexesQ40304285
Standard free energy of releasing a localized water molecule from the binding pockets of proteins: double-decoupling method.Q45962822
The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambinQ47682341
Exploring Multidimensional Free Energy Landscapes Using Time-Dependent Biases on Collective Variables.Q51614241
P433issue12
P304page(s)7238-7248
P577publication date2015-09-22
P1433published inChemical ScienceQ2962267
P1476titleXe affinities of water-soluble cryptophanes and the role of confined water.
P478volume6

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cites work (P2860)
Q91172595A Structural Basis for 129 Xe Hyper-CEST Signal in TEM-1 β-Lactamase
Q31131667An Expanded Palette of Xenon-129 NMR Biosensors.
Q37119658Flexibility Coexists with Shape-Persistence in Cyanostar Macrocycles
Q38973699NMR Hyperpolarization Techniques of Gases.
Q90618697Paramagnetic Organocobalt Capsule Revealing Xenon Host-Guest Chemistry
Q47225603Quantitative biosensor detection by chemically exchanging hyperpolarized 129Xe

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