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This monograph is the first in world chemical literature that has the review, generalization and systematization of all the problems of physical chemistry or organic peroxides. The general information concerning organic peroxide classifications, and the methods of their synthesis is given. The properties of peroxide bond are briefly considered. The structure of organic peroxides is analyzed in detail. The features of NMR spectroscopy as well as vibration spectroscopy of peroxides of a various structure are considered. Experimental data on thermal decomposition of organic peroxides in the gas phase and in solution are generalized. The influence of high pressure and cage effect on thermal decomposition of peroxides is described. Further, the acid-catalyzed reaction of decomposition, synthesis and transformations of organic peroxides are considered. The theoretical approaches to determination of thermodynamic properties of organic peroxides are considered. In the appendix kinetic and thermodynamic parameters of the representative set of peroxides are described and the areas of their application are specified. The examples of synthesis of the large set of organic peroxides are given. This monograph is intended for scientists, engineers and technicians, PhDs and students specializing in organic, physical, or polymer chemistry, biochemistry and environmental research.
(source: Nielsen Book Data)

• Part 1: Overview.- Attenuated Total Reflectance (ATR).- Universal Attenuated Total Reflectance (UATR).- Focal Plane Array Detection (FPA).-
• Part 2: Polymers and Materials.- Diffusion of solvent across polymer membrane.- Polymer blends/composition.- Additives and contaminants.- Laminated/layered polymers.- Surface functionalization.-
• Part 3: Plant and Biopolymers.- Cellulose development in cotton fibers.- Structure and orientation of biopolymers in plant cell walls.- Plant cell wall biopolymers.- Biopolymers transformation.- Screening of cell wall mutants.-
• Part 4: Medicine and Biology.- Application to biological samples.- IR imaging in biomedicine.- IR application in cancer research.- IR imaging of protein aggregation in living cells.- Study of protein crystallization.- Wound healing.- Pharmaceutical drug formulations/release/dissolution.-
• Part 5: New applications of FTIR imaging.
• (source: Nielsen Book Data)

Fourier Transform Infrared microspectroscopy (FTIR) was first developed by William Coblentz in 1905 for analytical purposes. It has been established as a powerful analytical method to analyze a wide range of materials. The most convenient way to analyze the molecular structure was to prepare KBr pellets with small amount of chemical species. Currently, the development of the Universal Attenuated Total Reflectance (UATR) allows the use of ZnSe-Diamond crystal to acquire FTIR spectra directly from the sample with no special preparation. These traditional FTIR analyses have been made with devices capable of performing single measurements, thus, providing a single IR spectrum of the sample. Recent major technological development in FTIR instrumentation was development of microscopes and imaging systems. These devices are now capable of imaging larger sample area, providing not only spectroscopic information but also spatial distributional information. In addition, the development of Focal Point Array (FPA) has made FTIR imaging an emerging area of chemical imaging research. The aim of this book is to summarize in a single document the research work that is being performed using UATR and IR imaging in selected emerging applications in plant materials and biological samples. This book provides the readers new knowledge, updates information, emerging applications, and understanding of the potential use of FTIR Microspectroscopy.
(source: Nielsen Book Data)

• Chirality and its occurrence
• Polysaccharide-based chiral stationary phases
• Cyclodextrin-based chiral stationary phases
• Macrocyclic glycopeptide antibotics-based chiral stationary phases
• Protein-based chiral stationary phases
• Ligand exchange-based chiral stationary phases
• Crown ether-based chiral stationary phases
• Miscellaneous types of chiral stationary phases
• Enantiomeric separation by the chiral mobile phase
• Additives.
• (source: Nielsen Book Data)

Unique in its systematic and detailed description of the various types, structures, and properties of chiral stationary phases (CSPs) and their preparation, application, and future scope, this volume highlights an assortment of liquid chromatographic approaches, including sub- and super-critical fluid chromatography, capillary electrochromatography, and thin layer chromatography. Readers will find: viable optimization techniques for enantiomeric resolution on various types of CSPs and new strategies in liquid chromatography and related technologies of chiral separations. It is a valuable resource filled with 1200 of the most recent and relevant literature citations.
(source: Nielsen Book Data)

• Quality in Chemical Analysis The Reliability in the Analytical Chemistry The Reliability of the Sampling The Connection between Reliability and Analytical Method The Connection between Reliability and Instruments The Reliability of Data Processing Analytical Process The Role of Standards and Standardization on Reliability of the Analytical Information References.
• (source: Nielsen Book Data)

Quality and reliability are central to success in every discipline, but perhaps nowhere are they more important or more interconnected than in the practice of analytical chemistry. Here, although reliable analytical information implies quality, not all 'quality' information proves reliable."Quality and Reliability in Analytical Chemistry" examines the various factors affecting these parameters in each step of the analytical process: The Sample - investigate the reliability of the sample, including its history and homogeneity; The Method - see the connection between reliability and the selection of analytical methods for environmental, food, and clinical analyses; The Instruments - examine the relationship between reliability and your instrumentation; Data Processing - consider the importance of chemometrics in the reliability of data processing; Automation - explore automation of the analytic process through discussion of its parameters - rapidity, reproducibility, flexibility, and reliability; and, Standards and Standardization - understand how quality and reliability cannot be assured without using standards for measurement and how only reliable methods can be standardized.The goal of the analytic process is to obtain high quality information with high reliability. "Quality and Reliability in Analytical Chemistry" helps you meet that goal and thereby satisfy your quality assurance and quality control requirements.
(source: Nielsen Book Data)

• Foreword.- Organic Pollutants in Aqueous-Solid Phase Environments: Types, Analysis and Characterizations.- Interaction Mechanisms Between Organic Pollutants and Solid Phase Systems.- Sorption/Desorption of Organic Pollutants from Complex Mixtures: Modeling, Kinetics, Experimental Techniques and Transport Parameters.- QSAR/QSPR and Multicomponent Joint Toxic Effect Modeling of Organic Pollutants at Aqueous-Solid Phase Interfaces.- Microbial Transformations at Aqueous-Solid Phase Interfaces: A Bioremediation Approach.- Subject Index.
• (source: Nielsen Book Data)

Growth in the numbers of organic chemicals during recent decades has been extraordinary. Most are complex compounds that are released directly and/or indirectly to the surrounding environment. A view is emerging in relation to environmental protection and hazardous substance management that some organic chemicals and/or organic leachates from solid waste materials and contaminated sediment/soil sites are of such extreme environmental concern that all use should be highly controlled including isolation for disposal; and most hazardous substances are of sufficient social value that their continual use, production and disposal are justified. For these chemicals their types, sources, fate, behavior, effects and remediation at solid-aqueous phase interfaces must be fully assessed and understood. This assessment and understanding are essential for society to accept risks of adverse ecological or human health effects.
(source: Nielsen Book Data)

• The Chemical Shift. Spin-Spin Coupling. The Analysis of NMR Spectra. Pulse Fourier Transform Techniques. Double Resonance Techniques and Relaxation Mechanisms. Multipulse NMR Techniques and Two-Dimensional NMR. Applications of NMR Spectroscopy. Problems. Subject Index.
• (source: Nielsen Book Data)

Introduction to NMR Spectroscopy R. J. Abraham, School of Chemistry, University of Liverpool J. Fisher, Biological NMR Centre, University of Leicester P. Loftus, Stuart Pharmaceuticals, Delaware, USA This book is a new, extended edition of Proton and Carbon 13 NMR by R. J. Abraham and P. Loftus. The initial chapters cover the fundamentals of NMR spectroscopy commencing with an explanation of how the nuclear magnetic response occurs, followed by a detailed discussion of chemical shifts and coupling constants, parameters not discussed to any length in other textbooks aimed at a similar level of interest. Emphasis is given to the vectorial description of multipulse experiments, as this is probably the easiest way to grasp how different information may be gained simply by changing a pulse sequence. An understanding of multipulse NMR is a prerequisite for understanding 2D NMR. The section on 2D NMR begins with a discussion of the resolved experiment. This is a logical initial choice as the spectra produced by this experiment may be readily compared with 1D spectra. Following on from this both heteronuclear and homonuclear correlation spectroscopy are described and examples given. The final section of the book should be considered as an applications section. It is aimed at showing the reader that NMR is not just of use to the synthetic organic chemist but is also of use to biochemists for investigating the solution state structure and function of proteins, enzymes, etc. The application of high resolution NMR to the solid state is also discussed, thereby indicating the developments which have taken place as far as spectrometer hardware is concerned.
(source: Nielsen Book Data)

• Preface.
• Chapter 1: Introduction to 1H NMR. 1.1 Historical background. 1.2 Basic Theory. 1.3 The 1H chemical shift. 1.3.1.Nuclear shielding, reference compounds, . 1.4. 1H Substituent chemical shifts (SCS). 1.4.1. Two-bond effects (H.C.X), Shoolery's rules, . 1.4.2. Three-bond effects (H.C.C.X). 1.4.3.1H SCS in olefins and aromatics. 1.5 Long range effects on 1H chemical shifts. 1.5.1. Steric (Van-der-Waals) shifts. 1.5.2. electric field and anisotropic shifts. 1.5.3. a electron effects, aromatic ring currents. 1.5.4. Hydrogen bonding shifts. 1.6.Tables of 1H Chemical Shifts of Common Cyclic Systems.
• Chapter 2: Interpretation of 1H NMR coupling patterns. 2.1 Fine Structure due to HH coupling. 2.2 The Analysis of NMR Spectra. 2.2.1. Nomenclature of the spin system, chemical and magnetic equivalence. 2.2.2. Two interacting nuclei, the AB spectrum. 2.2.3. Three interacting nuclei, the ABX spectrum. 2.2.4. Four interacting nuclei, the ABRX spectrum, the AA?XX? spectrum. 2.2.5. Iterative Computer Analysis, examples. 2.3. The Mechanism of Spin-Spin Coupling. 2.3.1. Geminal HH Couplings. 2.3.2. Vicinal HH Couplings, CH:CH couplings, CH.CH couplings. 2.3.3. Ab-initio calculations of couplings. 2.3.4. Long-range HH Couplings. 2.4. HF Couplings. 2.4.1. Geminal HF Couplings. 2.4.2. Vicinal HF Couplings, CH:CF couplings, CH.CF couplings. 2.4.3. Long-range HF Couplings.
• Chapter 3: Methods of Predicting 1H Chemical Shifts. 3.1. Quantum mechanical calculations of 1H Chemical shifts. 3.2. The Data Base Approach, the Hose code. 3.3. Semi-empirical calculations, . 3.4. Theory of the CHARGE program, . 3.4.1 Through Bond Effects. 3.4.2 1H Chemical Shifts in Substituted Methanes and Ethanes. 3.4.3 Through Space Effects, steric, electric field, magnetic anisotropy. 3.4.4Hydrogen Bonding Shifts, ab-initio calculations. 3.4.5 Aromatic Compounds, ring currents, a-electron densities.
• Chapter 4: Modelling 1H Chemical Shifts, Alkanes, Alkenes and Alkynes. 4.1. Alkanes. 4.1.1 H..H and C..H steric effects. 4.1.2 The methyl effect. 4.1.3 C.C Bond Anisotropy. 4.1.4 Observed vs Calculated Shifts. a) Acyclic alkanes. b) Cyclic Alkanes. c) Methyl Cycloalkanes. d) Androstane. e) Chemical Shift contributions in Cyclohexane. 4.2 Alkenes. 4.2.1.C=C Bond Anisotropy and Shielding. 4.2.2 Observed vs Calculated Shifts. a) Acyclic alkenes. b) Monocyclic alkenes. c) Aromatic alkenes. d) Norbornenes and bicyclooctenes. e) Pinenes. f) Conclusions. 4.3.Alkynes. 4.3.1.CethC Bond Anisotropy and Shielding. 4.3.2 Observed vs Calculated Shifts. 4.3.3. Acetylene SCS. 4.3.4. Contributions to Acetylene SCS. 4.3.5. Napthyl and Phenanthryl acetylenes. 4.4. Summary.
• Chapter 5: MODELLING 1H CHEMICAL SHIFTS, Aromatics. 5.1 Aromatic Hydrocarbons. 5.1.1. Ring currents, a-electron density, steric effects. 5.1.2. Observed vs Calculated Shifts. a) Condensed aromatics. b) Cyclophanes. c)Substituted Benzenes. 5.2. Heteroaromatics. 5.2.1. Theory and Application to Heteroaromatics. 5.2.2. Observed vs Calculated Shifts. a) Furans, thiophenes and pyrroles. b) Indoles, quinolines ans isoquinolines. c) Diazabenzenes and azoles. 5.2.3. Ring current and a-electron shifts. 5.3. Summary.
• Chapter 6: MODELLING 1H CHEMICAL SHIFTS, Mono valent Substituents. 6.1. Flourocompounds. 6.1.1. Electric field theory. 6.1.2. Fluoroalkanes. 6.1.3. Fluoroalkenes. 6.2. Steric, Anisotropic and Electric Field Effects in Chloro, bromo and Iodo SCS. 6.2.1. Aromatic halides. 6.2.2. Alkyl halides. 6.2.3. Contributions to Halo SCS in cyclohexanes. 6.2.4. Steric Coefficients for Halogens. 6.3. Hydroxy Compounds. 6.3.1 Alcohols and diols. 6.3.2Phenols. 6.4. Amines. 6.4.1 Observed vs Calculated Shifts. 6.5. Cyanides. 6.5.1 Observed vs Calculated Shifts. 6.5.2. Cyano SCS. 6.6. Nitro Compounds. 6.6.1. Observed vs Calculated Shifts. 6.6.2.Conformational Analysis. 6.7. Summary.
• Chapter 7: MODELLING 1H CHEMICAL SHIFTS, Divalent Substituents. 7.1. Aldehydes and Ketones. 7.1.1.Aliphatic aldehydes and ketones. a) Observed vs Calculated shifts. 7.1.2. Aromatic aldehydes and ketones. a). Keto-enol tautomerism in anthrone. 7.2. Esters. 7.2.1.Observed vs Calculated shifts. 7.3 Amides. 7.3.1.Aliphatic and cyclic amides. 7.3.2 Aromatic amides. 7.4. Ethers. 7.4.1.Oxygen SCS in ethers. 7.4.2.Observed vs Calculated Shifts. 7.5. Sulfoxides, sulfones, sulphites. 7.5.1.Observed vs Calculated Shifts. 7.6. Summary.
• Chapter 8: 1H CHEMICAL SHIFTS AND STRUCTURAL CHEMISTRY. 8.1. Electronic Structure Calculations. 8.1.1. Basis sets. 8.2. Molecular Mechanics Calculations. 8.2.1. Conformer generation. 8.3. Molecular Geometries and 1H Chemical Shifts. 8.3.1. Methyl anthracene-9-carboxylate. 8.3.2. N-formyl aniline. 8.3.3. Benzosuberone. 8.4. Rate Processes and NMR Spectra. 8.4.1. Theory. 8.4.2. Amide rotation. 8.4.3. Proton exchange equilibria. 8.4.4. Rotation about single bonds, ring inversion processes. 8.5. Solvent Effects. 8.5.1. Non-polar compounds. 8.5.2. Polar Aprotic Compounds. 8.5.3. Protic Compounds. 8.5.4. Diols and Polyhydroxy Compounds. 8.5.5. Chemical Shift.Contributions. 8.6. Summary.
• Chapter 9: Strategies for 1H NMR prediction. 9.1. Calculating 1H NMR spectra. 9.1.1. Molecular Modelling, PCMODEL. 9.1.2. Calculating 1H chemical shifts and coupling constants, HNMRSPEC. 9.1.3. Displaying the calculated 1H spectrum, 1HPLOT. 9.1.4. Advanced use of HNMRSPEC-S. 9.1.5. Calculation/Iteration of 2nd order 1H spectra from specified delta's and J's. LAOCOON. 9.2. Automated spectral prediction, NMRPredict.
• Appendix 1. The observed vs calculated 1H NMR chemical shifts of ca 1000 spectra.
• Appendix 2. The observed vs calculated 1H NMR chemical shifts of 113 Substituted Benzenes.
• Appendix 3. The observed vs calculated 1H NMR chemical shifts of 65 Substituted Pyridines.
• (source: Nielsen Book Data)

This book provides a theoretical introduction to graduate scientists and industrial researchers towards the understanding of the assignment of 1H NMR spectra. It discusses, and includes on enclosed CD, one of the best, the fastest and most applicable pieces of NMR prediction software available. It allows students of organic chemistry to solve problems on 1H NMR with access to over 500 assigned spectra.
(source: Nielsen Book Data)