Mark E. Smith
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View article: Temperature-induced mobility in Octacalcium Phosphate impacts crystal symmetry: water dynamics studied by NMR crystallography
Temperature-induced mobility in Octacalcium Phosphate impacts crystal symmetry: water dynamics studied by NMR crystallography Open
Octacalcium phosphate (OCP, Ca8(PO4)4(HPO4)2.5H2O) is a notable calcium phosphate due to its biocompatibility, making it a widely studied material for bone substitution. It is known to be a precursor of bone mineral, but its role in biomin…
View article: Double-stemmed and split structural variants of fluorescent RNA Mango aptamers
Double-stemmed and split structural variants of fluorescent RNA Mango aptamers Open
Aptamers with fluorogenic ligands are emerging as useful tools to quantify and track RNA molecules. The RNA Mango family of aptamers have a useful combination of tight ligand binding, bright fluorescence, and small size. However, the simpl…
View article: High magnetic field processing of liquid crystalline polymers
High magnetic field processing of liquid crystalline polymers Open
A process of forming bulk articles of oriented liquid crystalline thermoset material, the material characterized as having an enhanced tensile modulus parallel to orientation of an applied magnetic field of at least 25 percent greater than…
View article: Recent progress in solid-state NMR of spin-½ low-γ nuclei applied to inorganic materials
Recent progress in solid-state NMR of spin-½ low-γ nuclei applied to inorganic materials Open
Recent advances in solid-state NMR techniques increasing the accessibility of nuclei with small magnetic moments are described along with their application to inorganic materials.
View article: CCDC 2094440: Experimental Crystal Structure Determination
CCDC 2094440: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2094441: Experimental Crystal Structure Determination
CCDC 2094441: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2094444: Experimental Crystal Structure Determination
CCDC 2094444: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2094439: Experimental Crystal Structure Determination
CCDC 2094439: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2094442: Experimental Crystal Structure Determination
CCDC 2094442: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2094443: Experimental Crystal Structure Determination
CCDC 2094443: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: The Correlation Between a Pre-Engineering Student's Spatial Ability and Achievement in an Electronics Fundamentals Course
The Correlation Between a Pre-Engineering Student's Spatial Ability and Achievement in an Electronics Fundamentals Course Open
Though there is ample evidence showing a positive relationship between a student's spatial ability and achievement in many fields of science, technology, and engineering, this study was seeking evidence that a relationship exists between a…
View article: Mapping of N−C Bond Formation from a Series of Crystalline Peri‐Substituted Naphthalenes by Charge Density and Solid‐State NMR Methodologies
Mapping of N−C Bond Formation from a Series of Crystalline Peri‐Substituted Naphthalenes by Charge Density and Solid‐State NMR Methodologies Open
A combination of charge density studies and solid state nuclear magnetic resonance (NMR) 1 J NC coupling measurements supported by periodic density functional theory (DFT) calculations is used to characterise the transition from an n–π* in…
View article: Mapping of N−C Bond Formation from a Series of Crystalline Peri‐Substituted Naphthalenes by Charge Density and Solid‐State NMR Methodologies
Mapping of N−C Bond Formation from a Series of Crystalline Peri‐Substituted Naphthalenes by Charge Density and Solid‐State NMR Methodologies Open
A combination of charge density studies and solid state nuclear magnetic resonance (NMR) 1 J NC coupling measurements supported by periodic density functional theory (DFT) calculations is used to characterise the transition from an n–π* in…
View article: A novel multinuclear solid-state NMR approach for the characterization of kidney stones
A novel multinuclear solid-state NMR approach for the characterization of kidney stones Open
The spectroscopic study of pathological calcifications (including kidney stones) is extremely rich and helps to improve the understanding of the physical and chemical processes associated with their formation. While Fourier transform infra…
View article: Labeling and Probing the Silica Surface Using Mechanochemistry and <sup>17</sup> O NMR Spectroscopy**
Labeling and Probing the Silica Surface Using Mechanochemistry and <sup>17</sup> O NMR Spectroscopy** Open
In recent years, there has been increasing interest in developing cost‐efficient, fast, and user‐friendly 17 O enrichment protocols to help to understand the structure and reactivity of materials by using 17 O NMR spectroscopy. Here, we sh…
View article: Labeling and Probing the Silica Surface Using Mechanochemistry and 17O NMR Spectroscopy
Labeling and Probing the Silica Surface Using Mechanochemistry and 17O NMR Spectroscopy Open
In recent years, there has been increasing interest in developing cost-efficient, fast, and user-friendly 17O enrichment protocols to help understand the structure and reactivity of materials using 17O NMR. Here, we show for the first time…
View article: Labeling and Probing the Silica Surface Using Mechanochemistry and 17O NMR Spectroscopy
Labeling and Probing the Silica Surface Using Mechanochemistry and 17O NMR Spectroscopy Open
In recent years, there has been increasing interest in developing cost-efficient, fast, and user-friendly 17 O enrichment protocols to help understand the structure and reactivity of materials using 17 O NMR. Here, we show for the first ti…
View article: A novel multinuclear solid state NMR approach for the characterization of kidney stones
A novel multinuclear solid state NMR approach for the characterization of kidney stones Open
The spectroscopic study of pathological calcifications (including kidney stones) is extremely rich and helps to improve the understanding of the physical and chemical processes associated with their formation. While FTIR imaging and optica…
View article: Phosphoserine for the generation of lanthanide-binding sites on proteins for paramagnetic nuclear magnetic resonance spectroscopy
Phosphoserine for the generation of lanthanide-binding sites on proteins for paramagnetic nuclear magnetic resonance spectroscopy Open
Pseudocontact shifts (PCSs) generated by paramagnetic lanthanide ions provide valuable long-range structural information in nuclear magnetic resonance (NMR) spectroscopic analyses of biological macromolecules such as proteins, but labellin…
View article: CSD 1989793: Experimental Crystal Structure Determination
CSD 1989793: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 1989794: Experimental Crystal Structure Determination
CSD 1989794: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: Direct <sup>17</sup>O Isotopic Labeling of Oxides\nUsing Mechanochemistry
Direct <sup>17</sup>O Isotopic Labeling of Oxides\nUsing Mechanochemistry Open
While 17O NMR is increasingly being used for elucidating\nthe structure and reactivity of complex molecular and materials systems,\nmuch effort is still required for it to become a routine analytical\ntechnique. One of the main difficultie…
View article: Direct <sup>17</sup> O Isotopic Labeling of Oxides Using Mechanochemistry
Direct <sup>17</sup> O Isotopic Labeling of Oxides Using Mechanochemistry Open
While 17O NMR is increasingly being used for elucidating the structure and reactivity of complex molecular and materials systems, much effort is still required for it to become a routine analytical technique. One of the main difficulties f…
View article: Advances in the synthesis and structure of α-canaphite: a multitool and multiscale study
Advances in the synthesis and structure of α-canaphite: a multitool and multiscale study Open
Pure α-canaphite is synthesized and thoroughly characterized; its hydrated layered structure is now fully solved by combining experimental and modeling data.
View article: Direct 17O-Isotopic Labeling of Oxides Using Mechanochemistry
Direct 17O-Isotopic Labeling of Oxides Using Mechanochemistry Open
While oxygen-17 NMR is increasingly being used for elucidating the structure and reactivity of complex molecular and materials systems, much effort is still required for it to become a routine analytical technique. One of the main difficul…
View article: Direct 17O-Isotopic Labeling of Oxides Using Mechanochemistry
Direct 17O-Isotopic Labeling of Oxides Using Mechanochemistry Open
While oxygen-17 NMR is increasingly being used for elucidating the structure and reactivity of complex molecular and materials systems, much effort is still required for it to become a routine analytical technique. One of the main difficul…
View article: A Combined Mg-25 Solid-State NMR and Ab Initio DFT Approach to Probe the Local Structural Differences in Magnesium Acetate Phases Mg(CH3COO)(2)center dot nH(2)O (n=0,1,4)
A Combined Mg-25 Solid-State NMR and Ab Initio DFT Approach to Probe the Local Structural Differences in Magnesium Acetate Phases Mg(CH3COO)(2)center dot nH(2)O (n=0,1,4) Open
Multinuclear (H-1, C-13, Mg-25) solid-state NMR data is reported for a series of magnesium acetate phases Mg(CH3COO)(2)nH(2)O (n=0 (two polymorphs), 1, 4). The central focus here is Mg-25 as this set of compounds provides an expanded range…
View article: The Toxicogenome of <i>Hyalella azteca</i>: A Model for Sediment Ecotoxicology and Evolutionary Toxicology
The Toxicogenome of <i>Hyalella azteca</i>: A Model for Sediment Ecotoxicology and Evolutionary Toxicology Open
Hyalella azteca is a cryptic species complex of epibenthic amphipods of interest to ecotoxicology and evolutionary biology. It is the primary crustacean used in North America for sediment toxicity testing and an emerging model for molecula…