D. D. Perrin

Bio: D. D. Perrin is an academic researcher from John Wiley & Sons. The author has contributed to research in topics: Stability constants of complexes & Zinc. The author has an hindex of 10, co-authored 17 publications receiving 13120 citations.

Purification of laboratory chemicals

Abstract: Common physical techniques used in purification chemical methods used in purification purification of organic chemicals purification of inorganic and metal organic chemicals general methods for the purification of classes of compounds purification of natural products biochemicals and related products.

Buffers for pH and metal ion control

Abstract: 1. Introduction.- 1.1 The concept of buffer action.- 1.2 Why are buffers needed?.- 1.3 Some naturally occurring buffers.- 2. The Theory of Buffer Action.- 2.1 Equilibrium aspects.- 2.2 Activity effects.- 2.3 Effect of dilution.- 2.4 Salt effects.- 2.5 Ampholytes and zwitterions.- 2.6 Buffer capacity.- 2.6.1 Buffer capacity of a polybasic acid.- 2.7 Pseudo buffers.- 2.8 Self buffers.- 2.9 Mixtures of buffers.- 2.10 Temperature dependence.- 2.11 Effect of pressure on buffers.- 2.12 Further reading.- 3. Applications of pH Buffers.- 3.1 Factors governing the choice of a buffer.- 3.2 Measurement of pH.- 3.3 Biochemistry and biology.- 3.4 Spectroscopy.- 3.5 Buffers for special applications.- 3.5.1 Volatile buffers.- 3.5.2 Buffers for electrophoresis.- 3.5.3 Buffers for complexometric titrations.- 3.5.4 Buffers for chromatography.- 3.5.5 Buffers for polarography.- 3.5.6 Buffers for proton magnetic resonance studies.- 3.5.7 Buffers for solvent extraction.- 3.5.8 Isotonic pharmaceutical buffers.- 3.5.9 Miscellaneous.- 4. Practical Limitations in the Use of Buffers.- 4.1 Chemical problems.- 4.2 Biological effects.- 4.3 Influence on chemical reactions.- 5. New pH-Buffer Tables and Systems.- 5.1 On calculating buffer composition tables.- 5.1.1 Buffers of constant ionic strength. No added electrolyte.- 5.1.2 Constant ionic strength buffers with added electrolyte.- 5.1.2.1 Preparation of amine buffers of constant ionic strength.- 5.1.3 Buffers by direct titration of weak bases or acids with strong acids or bases.- 5.2 On designing a new pH-buffer system.- 6. Buffers for use in Partially Aqueous and Non-Aqueous Solvents and Heavy Water.- 6.1 pH* Scales.- 6.2 pH* Buffers.- 6.3 The measurement of pH*.- 6.4 A universal pH scale.- 6.5 The pD scale and the measurement of pD.- 6.6 The use of pH* and pD buffers.- 6.6.1 The determination of dissociation constants of acids.- 6.6.2 Rate studies in heavy water.- 6.7 Surfactants.- 7. Metal-ion Buffers.- 7.1 The concept of pM.- 7.2 Uses of metal-ion buffers.- 7.3 Calculation of pM.- 7.4 pH-Independent metal-ion buffers.- 7.5 Effects of pH buffer substances on pM.- 7.6 Anion buffers.- 7.7 Redox buffering.- 8. Purification of Substances Used in Buffers.- 9. Preparation of Buffer Solutions.- 10. Appendices.- Appendix I. Tables for constructing buffer tables.- Appendix II. Composition-pH tables of some commonly used buffers.- Appendix III. Thermodynamic acid dissociation constants of prospective buffer substances.- Appendix IV. The Henderson-Hasselbalch equation.- References.

pKa prediction for organic acids and bases

Abstract: This book should be of interest to students of general science, chemistry, physics and physical sciences.

Carbon Dioxide Capture in Metal–Organic Frameworks

Abstract: Kenji Sumida, David L. Rogow, Jarad A. Mason, Thomas M. McDonald, Eric D. Bloch, Zoey R. Herm, Tae-Hyun Bae, Jeffrey R. Long

Fluorine in Pharmaceuticals: Looking Beyond Intuition.

Abstract: Fluorine substituents have become a widespread and important drug component, their introduction facilitated by the development of safe and selective fluorinating agents. Organofluorine affects nearly all physical and adsorption, distribution, metabolism, and excretion properties of a lead compound. Its inductive effects are relatively well understood, enhancing bioavailability, for example, by reducing the basicity of neighboring amines. In contrast, exploration of the specific influence of carbon-fluorine single bonds on docking interactions, whether through direct contact with the protein or through stereoelectronic effects on molecular conformation of the drug, has only recently begun. Here, we review experimental progress in this vein and add complementary analysis based on comprehensive searches in the Cambridge Structural Database and the Protein Data Bank.

Very fast empirical prediction and rationalization of protein pKa values

Abstract: A very fast empirical method is presented for structure-based protein pKa prediction and rationalization. The desolvation effects and intra-protein interactions, which cause variations in pKa values of protein ionizable groups, are empirically related to the positions and chemical nature of the groups proximate to the pKa sites. A computer program is written to automatically predict pKa values based on these empirical relationships within a couple of seconds. Unusual pKa values at buried active sites, which are among the most interesting protein pKa values, are predicted very well with the empirical method. A test on 233 carboxyl, 12 cysteine, 45 histidine, and 24 lysine pKa values in various proteins shows a root-mean-square deviation (RMSD) of 0.89 from experimental values. Removal of the 29 pKa values that are upper or lower limits results in an RMSD = 0.79 for the remaining 285 pKa values.

Fluorescent indicators based on BODIPY

Abstract: This critical review covers the advances made using the 4-bora-3a,4a-diaza-s-indacene (BODIPY) scaffold as a fluorophore in the design, synthesis and application of fluorescent indicators for pH, metal ions, anions, biomolecules, reactive oxygen species, reactive nitrogen species, redox potential, chemical reactions and various physical phenomena. The sections of the review describing the criteria for rational design of fluorescent indicators and the mathematical expressions for analyzing spectrophotometric and fluorometric titrations are applicable to all fluorescent probes (206 references).