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Identification of a Structural Determinant for Selective Targeting of HDMX
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Restraint validation of biomolecular structures determined by NMR in the Protein Data Bank
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Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase
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Mn2MnReO6: Synthesis and Magnetic Structure Determination of a New Transition-Metal-Only Double Perovskite Canted Antiferromagnet
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Small Pore Aluminosilicate EMM-37: Synthesis and Structure Determination Using Continuous Rotation Electron Diffraction
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Microsized Pore Structure Determination in EPDM Rubbers Using High-Pressure 129 Xe NMR Techniques
Microsized pore parameters, such as pore size and distance between pores in a series of model EPDM rubbers, were determined in situ under the pressure of 500 psi using 129 Xe nuclear magnetic resonance (NMR) techniques: spin–lattice (T 1 ) and spin–spin (T 2 ) relaxation measurements, pulsed-field gradient (PFG) NMR, and two-dimensional exchange spectroscopy (2D EXSY). The T 1 /T 2 (>>1) ratio for the xenon confined in the pores is larger than that for nonconfined free xenon. This suggests that almost the entire pore surface interacts with xenon atoms like a closed pore. While these pores still connect each other through very narrow diffusion/exchange channels, it is possible to observe the echo decay in PFG-NMR and cross-peaks in 2D EXSY. The results show that both diffusion (D pore ≈ 2.1 × 10 –10 m 2 /s) and exchange (exchange rate, τ exch = a few tens of milliseconds) of xenon between a pore within the material and outer surface are prolonged. The exchange distances (l), which correspond to the xenon gas penetration depth, were estimated to be 70–100 μm based on the measured diffusion coefficients and exchange rate (1/τ exch ). NMR diffraction analysis reveals that pore size (a) and pore distance (b) are on the order of magnitude of micrometers and tens of micrometers, while the diffusion coefficients of xenon gas in the diffusion channels (D eff ) are about 10 –8 m 2 /s. Overall, this study suggests that the pores with a few micrometers connected through very narrow flowing channels with the length of several tens of micrometers are developed 70 to 100 μm below the rubber surface. Furthermore, the overall steady-state diffusion of xenon is slower, approximately 2 orders of magnitudes, than the diffusion in the channel between the pores. Finally, the pore and exchange distances correlated with the composition of rubbers showed that the properties of EPDM rubber as a high-pressure gas barrier could be improved by reducing the size of cracks and the depth of gas penetration by the addition of both carbon black and silica fillers.
Application of Crystalline Matrices for the Structural Determination of Organic Molecules
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Systematic Quantification of Sequence and Structural Determinants Controlling mRNA stability in Bacterial Operons
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Peptide Sequence Determines Structural Sensitivity to Supramolecular Polymerization Pathways and Bio
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Synthesis, characterization, and structure determination of bis-oxazolidine complexes of rhenium
A tetradentate fused bis-oxazolidine ligand (FOX) is used to coordinate to rhenium carbonyl. The ligand binds in a κ 3 -NNN fashion to a Re(CO) 3 + fragment, giving an octahedral complex. The hydroxymethyl group can be deprotonated with CsOH, leading to a κ 3 -ONN variation in the binding of the ligand. Furthermore, loss of CO from this compound proved difficult, impeding further reactivity.
Assessing the roles of synthesis method and chemical composition in determining structure–property correlations in alloyed, ultrathin nanowire motifs for the methanol oxidation reaction
Using microscopy and spectroscopy to assess ultrathin nanowire structure.
Structural determinants of collapse by a monomolecular mimic of pulmonary surfactant at the physiological temperature
DPPC and cholesterol form a hexatic phase in a pulmonary surfactant, indicating that long range order is not required for the alveolar film to avoid collapse and sustain very low surface tensions.
In situ structural determination of 3 d and 5 d perovskite oxides under high pressure by synchrotron x-ray diffraction
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