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Showing 1 to 15 of 15 for “"Linear free energy relationship."”.
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Studies on Organophosphorus Catalyzed C(SP³)–H Amination for the Synthesis of Benzimidazoles
… under catalytic conditions and Hammett linear free energy relationship studies. The synthetic method and mechanistic information provide insight into design principles for the expansion of C(sp³)–H functionalization reactions through PIII/PV=O O-atom transfer reactivity.
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The effect of fluorination on the surface chemistry of adsorbate-metal systems
… were calculated and used to construct a linear free energy relationship or Hammett plot. From this plot the reaction constant was found to be $6.0\pm3.3.$ The positive value of the reaction constant indicates that the transition state of the phenyl coupling reaction is electron rich with …
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Liquid Phase Carbon-Thirteen Dynamic Nuclear Polarization Study of Monosubstituted Aromatic Compounds
… to strong electron withdrawing groups. Hammett linear free energy relationship was used to quantitatively study the electronic effect of substituent on the carbon-thirteen DNP enhancement. It was found that the carbon-thirteen DNP enhancements at meta and para positions exhibits a reasonable …
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The development and application of metal-catalyzed processes for organic synthesis
… conducted, including kinetic isotope effect and linear free energy relationship studies.
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The synthesis and thermal rearrangement of 2,5-Dialkyl-1,3,4- triphenyl-2,4-cyclopentadien-1-o1's
… these supporting earlier theory that no linear free energy relationship (LFER) exists in these rearrangements and that a purely concerted mechanism exists in these cases. The rate of reaction for 15,16,17—triphenylbicyclo[12.2.1] heptadeca-14,16-dien-1-ol was very much faster than any …
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Kinetic studies of redox and related reactions of some new isoalloxazines
… In the case of the dithiopropanol reaction, a linear free-energy relationship was observed between the logarithm of the second order rate constant and the polarographic half-wave potential, E⅟₂ (slope 26 ± 1 V⁻¹). The conclusion drawn from this is that, if the redox reaction occurs through an …
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Molecular interactions in pharmaceutical preformulation and supramolecular complexes. Structural properties governing drug-plasma protein binding and investigation of amino acids co-crystals
… drug-PPB interaction. Using Michael Abraham’s ‘Linear Free Energy Relationship’ (LFER) method, two major plasma proteins namely, Human Serum Albumin as HSA and α-1-Acid Glycoprotein as AGP, were used and the structural properties governing drug-plasma protein binding was determined. This is the …
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Understanding the [Fe Fe]-Hydrogenase H-Cluster: Insights From Chemical Modelling and Advanced Spectroscopy
… for a range of subsite models exploring the relationship between the structure and the reactivity towards protons. It is shown that there is a direct linear free energy relationship between the activation energy for protonation and the energy level of the HOMO. Chapter 4 describes the first …
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Studies of unusual catalysis : a tale of four enzymes from diverse biosynthesis pathways
… manner. Positional isotope exchange and kinetic linear free energy relationship studies provide a direct experimental evaluation of the nucleophilic participation by reduced FAD during UGM catalysis. MoeZ from Amycolatopsis orientalis is a unique sulfur carrier protein (SCP) activating enzyme …
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Sorption and bioaccumulation of neutral and ionizable wastewater-derived contaminants of emerging concern: exposure of edible crops via solid and liquid effluent streams
… is greater than 2. Data were used to construct a linear free energy relationship (LFER), which suggested that predicting sorption to sludge based on K[subscript ow] values is a reasonable approach for neutral CECs, but other interactions may govern the behavior of the charged species. Greenhouse- …
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Thermodynamic Investigations of Metalloproteins: Metal as Probe and Protein as Probe
… iron to elucidate the structure-function relationships underlying two important physiological responses of hemoglobin (Hb): the Root Effect of hemoglobin from certain fish and the different nitrite reactivities of hemoglobins from clams. Hemoglobins of some fish exhibit significantly …
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Controlling and Exploiting Spiropyran-based Mechanochromism
… on understanding structure property</p><p>relationships for the spiropryan mechanophore and expanding our control of mechanochromism </p><p>from the single-molecule to device scale.</p><p>First, we report the effect of substituents on spiropyran derivatives substituted</p><p>with H, Br, or …
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Adsorption behavior of volatile organic componds in metal-organic frameworks
… deformation polarizability, and the Abraham linear free energy relationship (LFER). Despite differences in the surface areas of the multiple samples, the calculate heats of adsorption were found to be very similar. It was determined that the adsorption on IRMOF-1 is more complicated than …