Barbara H. Stuart

Bio: Barbara H. Stuart is an academic researcher from University of Technology, Sydney. The author has contributed to research in topics: Adipocere & Ether. The author has an hindex of 27, co-authored 130 publications receiving 5669 citations. Previous affiliations of Barbara H. Stuart include University of Greenwich & University of Sydney.

Infrared Spectroscopy: Fundamentals and Applications

Abstract: Series Preface.Preface.Acronyms, Abbreviations and Symbols.About the Author.1. Introduction.1.1 Electromagnetic Radiation.1.2 Infrared Absorptions.1.3 Normal Modes of Vibration.1.4 Complicating Factors.1.4.1 Overtone and Combination Bands.1.4.2 Fermi Resonance.1.4.3 Coupling.1.4.4 Vibration-Rotation Bands.References.2. Experimental Methods.2.1 Introduction.2.2 Dispersive Infrared Spectrometers.2.3 Fourier-Transform Infrared Spectrometers.2.3.1 Michelson Interferometers.2.3.2 Sources and Detectors.2.3.3 Fourier-Transformation.2.3.4 Moving Mirrors.2.3.5 Signal-Averaging.2.3.6 Advantages.2.3.7 Computers.2.3.8 Spectra.2.4 Transmission Methods.2.4.1 Liquids and Solutions.2.4.2 Solids.2.4.3 Gases.2.4.4 Pathlength Calibration.2.5 Reflectance Methods.2.5.1 Attenuated Total Reflectance Spectroscopy.2.5.2 Specular Reflectance Spectroscopy.2.5.3 Diffuse Reflectance Spectroscopy.2.5.4 Photoacoustic Spectroscopy.2.6 Microsampling Methods.2.7 Chromatography-Infrared Spectroscopy.2.8 Thermal Analysis-Infrared Spectroscopy.2.9 Other Techniques.References.3. Spectral Analysis.3.1 Introduction.3.2 Group Frequencies.3.2.1 Mid-Infrared Region.3.2.2 Near-Infrared Region.3.2.3 Far-Infrared Region.3.3 Identification.3.4 Hydrogen Bonding.3.5 Spectrum Manipulation.3.5.1 Baseline Correction.3.5.2 Smoothing.3.5.3 Difference Spectra.3.5.4 Derivatives.3.5.5 Deconvolution.3.5.6 Curve-Fitting.3.6 Concentration.3.7 Simple Quantitative Analysis.3.7.1 Analysis of Liquid Samples.3.7.2 Analysis of Solid Samples.3.8 Multi-Component Analysis.3.9 Calibration Methods.References.4. Organic Molecules.4.1 Introduction.4.2 Aliphatic Hydrocarbons.4.3 Aromatic Compounds.4.4 Oxygen-Containing Compounds.4.4.1 Alcohols and Phenols.4.4.2 Ethers.4.4.3 Aldehydes and Ketones.4.4.4 Esters.4.4.5 Carboxylic Acids and Anhydrides.4.5 Nitrogen-Containing Compounds.4.5.1 Amines.4.5.2 Amides.4.6 Halogen-Containing Compounds.4.7 Heterocyclic Compounds.4.8 Boron Compounds.4.9 Silicon Compounds.4.10 Phosphorus Compounds.4.11 Sulfur Compounds.4.12 Near-Infrared Spectra.4.13 Identification.References.5. Inorganic Molecules.5.1 Introduction.5.2 General Considerations.5.3 Normal Modes of Vibration.5.4 Coordination Compounds.5.5 Isomerism.5.6 Metal Carbonyls.5.7 Organometallic Compounds.5.8 Minerals.References.6. Polymers.6.1 Introduction.6.2 Identification.6.3 Polymerization.6.4 Structure.6.5 Surfaces.6.6 Degradation.References.7. Biological Applications.7.1 Introduction.7.2 Lipids.7.3 Proteins and Peptides.7.4 Nucleic Acids.7.5 Disease Diagnosis.7.6 Microbial Cells.7.7 Plants.7.8 Clinical Chemistry.References.8. Industrial and Environmental Applications.8.1 Introduction.8.2 Pharmaceutical Applications.8.3 Food Science.8.4 Agricultural Applications.8.5 Pulp and Paper Industries.8.6 Paint Industry.8.7 Environmental Applications.References.Responses to Self-Assessment Questions.Bibliography.Glossary of Terms.SI Units and Physical Constants.Periodic Table.Index.

Review of human decomposition processes in soil

Abstract: In-soil human decomposition is comprehensively described in terms of the physico-chemical and bacterial environmental conditions. Much of the understanding comes from considerations of cemetery studies and experimentation with adipocere. The understandings are relevant for further studies in cemetery management, exhumations, forensic investigations and anthropology. In the soil, cadavers are subject to various sets of decomposition processes principally resulting from aerobic (usually the initial) or anaerobic (usually the sustaining) conditions. The presence of percolating groundwater and microorganisms further affects the rate of breakdown and fate of the products. The major human tissue components—protein, carbohydrate, fat and bone, are discussed; and the likely pathways of decomposition products enumerated. The effects of liquefaction, availability of oxygen and other in-grave processes are considered.

Modern infrared spectroscopy

Abstract: Instrumentation Sampling Spectrum Interpretation Quantitative Analysis Applications Identification of Unknown Samples Appendices Self-Assessment Questions and Responses Units of Measurement Index

Biological applications of infrared spectroscopy

Abstract: Instrumentation. Sampling Methods. Spectrum Interpretation. Quantitative Analysis. Applications. Self-Assessment Questions and Responses. Units of Measurement. Index.

Using Fourier transform IR spectroscopy to analyze biological materials

Abstract: IR spectroscopy is an excellent method for biological analyses. It enables the nonperturbative, label-free extraction of biochemical information and images toward diagnosis and the assessment of cell functionality. Although not strictly microscopy in the conventional sense, it allows the construction of images of tissue or cell architecture by the passing of spectral data through a variety of computational algorithms. Because such images are constructed from fingerprint spectra, the notion is that they can be an objective reflection of the underlying health status of the analyzed sample. One of the major difficulties in the field has been determining a consensus on spectral pre-processing and data analysis. This manuscript brings together as coauthors some of the leaders in this field to allow the standardization of methods and procedures for adapting a multistage approach to a methodology that can be applied to a variety of cell biological questions or used within a clinical setting for disease screening or diagnosis. We describe a protocol for collecting IR spectra and images from biological samples (e.g., fixed cytology and tissue sections, live cells or biofluids) that assesses the instrumental options available, appropriate sample preparation, different sampling modes as well as important advances in spectral data acquisition. After acquisition, data processing consists of a sequence of steps including quality control, spectral pre-processing, feature extraction and classification of the supervised or unsupervised type. A typical experiment can be completed and analyzed within hours. Example results are presented on the use of IR spectra combined with multivariate data processing.

Baseline Studies of the Clay Minerals Society Source Clays: Infrared Methods

Abstract: Infrared (IR) spectroscopy has a long and successful history as an analytical technique and is used extensively (McKelvy et al., 1996; Stuart, 1996). It is mainly a complementary method to X-ray diffraction (XRD) and other methods used to investigate clays and clay minerals. It is an economical, rapid and common technique because a spectrum can be obtained in a few minutes and the instruments are sufficiently inexpensive as to be available in many laboratories. An IR spectrum can serve as a fingerprint for mineral identification, but it can also give unique information about the mineral structure, including the family of minerals to which the specimen belongs and the degree of regularity within the structure, the nature of isomorphic substituents, the distinction of molecular water from constitutional hydroxyl, and the presence of both crystalline and non-crystalline impurities (Farmer, 1979). The interpretation of the absorption spectra of the Source Clays in the middle-IR (MIR) region (4000–400 cm−1) given here follows those of Farmer and Russell (1964), Farmer (1974a, 1979) and Russell and Fraser (1994). In addition, reflectance spectra in the near-IR (NIR) region (11,000–4000 cm−1), where overtones and combination vibrations occur, are included. These spectra provide information on structural OH groups and H2O in clay minerals (Bishop et al., 1994; Frost and Johansson, 1998; Petit et al., 1999a) which may not be clearly observed in the MIR spectra. Small changes in stretching and bending band positions are additive in the combination bands, thereby making them more readily differentiated (Post and Noble, 1993). Dispersive IR spectrometers are slowly being replaced by quicker and more sensitive Fourier transform (FT) instruments (Rintoul et al., 1998). The greater sensitivity of the FTIR spectrometers is related to the continuous detection of the entire transmitted energy …

Characterization of slow pyrolysis biochars: effects of feedstocks and pyrolysis temperature on biochar properties.

Abstract: Biochars are increasingly used as soil amendment and for C sequestration in soils. The influence of feedstock differences and pyrolysis temperature on biochar characteristics has been widely studied. However, there is a lack of knowledge about the formation of potentially toxic compounds that remain in the biochars after pyrolysis. We investigated biochars from three feedstocks (wheat straw, poplar wood, and spruce wood) that were slowly pyrolyzed at 400, 460, and 525°C for 5 h (straw) and 10 h (woodchips), respectively. We characterized the biochars' pH, electrical conductivity, elemental composition (by dry combustion and X-ray fluorescence), surface area (by N adsorption), water-extractable major elements, and cation exchange capacity (CEC). We further conducted differential scanning calorimetry (DSC), Fourier-transform infrared spectroscopy (FTIR), and X-ray diffractometry to obtain information on the biochars' molecular characteristics and mineralogical composition. We investigated trace metal content, total polycyclic aromatic hydrocarbon (PAH) content, and PAH composition in the biochars. The highest salt (4.92 mS cm) and ash (12.7%) contents were found in straw-derived biochars. The H/C ratios of biochars with highest treatment temperature (HTT) 525°C were 0.46 to 0.40. Surface areas were low but increased (1.8-56 m g) with increasing HTT, whereas CEC decreased (162-52 mmol kg) with increasing HTT. The results of DSC and FTIR suggested a loss of labile, aliphatic compounds during pyrolysis and the formation of more recalcitrant, aromatic constituents. X-ray diffractometry patterns indicated a mineralogical restructuring of biochars with increasing HTT. Water-extractable major and trace elements varied considerably with feedstock composition, with trace elements also affected by HTT. Total PAH contents (sum of EPA 16 PAHs) were highly variable with values up to 33.7 mg kg; irrespective of feedstock type, the composition of PAHs showed increasing dominance of naphthalene with increasing HTT. The results demonstrate that biochars are highly heterogeneous materials that, depending on feedstock and HTT, may be suitable for soil application by contributing to the nutrient status and adding recalcitrant C to the soil but also potentially pose ecotoxicological challenges.

FTIR Spectroscopy for Carbon Family Study

Abstract: Fourier transform Infrared (FTIR) spectroscopy is a versatile technique for the characterization of materials belonging to the carbon family. Based on the interaction of the IR radiation with matter this technique may be used for the identification and characterization of chemical structures. Most important features of this method are: non-destructive, real-time measurement and relatively easy to use. Carbon basis for all living systems has found numerous industrial applications from carbon coatings (i.e. amorphous and nanocrystalline carbon films: diamond-like carbon (DLC) films) to nanostructured materials (fullerenes, nanotubes, graphene) and carbon materials at nanoscale or carbon dots (CDots). In this paper, we present the FTIR vibrational spectroscopy for the characterization of diamond, amorphous carbon, graphite, graphene, carbon nanotubes (CNTs), fullerene and carbon quantum dots (CQDs), without claiming to cover entire field.