bluuebunny/crossref_metadata_2025 huggingface dataset:
Photometric Standards for Near‐Infrared Spectrometry
Authors: Springsteen Arthur W.
Published: September 2006

The sections in this article are

Introduction

Diffuse Gold Standards

Ceramic Tiles

Gray Scale Standards

UV

–
vis
–

NIR

Light Traps
The Diamond Anvil Cell
Authors: Polsky Cynthia H. , Van Valkenburg Eric
Published: September 2006

The sections in this article are

Overview

Brief Introduction

Advantages of the

DAC

The High‐Pressure

DAC

Introduction

Early High‐Pressure

DAC

Experiments

Beginnings

Developments

Pressure Calibration

Modern

DAC

s

The Miniature
M
errill–
B
assett Cell

The Four‐Post Cryogenic Cell

The Megabar (
M
ao–
B
ell) Cell

The Compact Cylinder Cell

The

DAC

in Forensic Science

Diamond as An Optical Window

DAC

and

IR

Spectroscopy

The Forensic Studies

Concluding Remarks
External Reflection Spectroscopy of Thin Films on Dielectric Substrates
Authors: Kattner Jürgen , Hoffmann Helmuth
Published: September 2006

The sections in this article are

Introduction

Spectral Simulations

Infrared Radiation at Interfaces

Optical Properties of Anisotropic Films

Calculation of Reflection Spectra and Determination of Surface Orientation

Limitations

Experimental Aspects

Optical System

Sensitivity Optimization

S
/
N
Comparison between Metal and Dielectric Substrates

Spectra Interpretation and Surface Selection Rules

Isotropic Films

Anisotropic Films

Surface Selection Rules

Applications

Thin Anisotropic Films

Isotropic Polymer and Lubricant Layers

Adsorbates on Single‐Crystal Surfaces

Inorganic Films
Continuum Theories of Diffuse Reflection
Authors: Griffiths Peter R. , Olinger Jill M.
Published: September 2006

Many theories for diffuse reflection spectrometry have been reported, but none allow concentrations to be obtained with as good accuracy as other sampling techniques. In this article, the more important theories of diffuse reflection are described. Diffusely reflected radiation usually follows the Lambert cosine law. Early theories of light scattering were developed about 100 years ago by Mie and Schuster, and most current treatments are based on one of these two theories. The equation derived by Kubelka and Munk for the diffuse reflectance of a powder was essentially identical to the equation that was derived by Schuster for the radiation scattered from a very dilute suspension of particles. Other workers considered the effect of anisotropic scattering, which are usually too complicated to apply to powdered solids. Application of the Kubelka–Munk equation shows why mid‐infrared diffuse reflection spectrometry is an excellent microsampling technique, unless the matrix in which the analyte is dispersed has significant absorption.
FT
‐
R
aman Spectroscopy
Authors: Schrader B.
Published: September 2006

Raman and infrared spectra give information about the symmetry of molecules and their arrangement. For recording of Raman spectra, interferometers instead of dispersive spectrometers give a larger intensity by the so‐called Jacquinot advantage. Further, the arrangement of sample cells with a high figure‐of‐merit is easier. When exciting radiation from the near‐infrared region is used instead of the usual radiation from the visible range, the obstructive fluorescence is considerably reduced. This makes the nondestructive analyses of objects of art, historic textiles, and plant and animal tissues possible. Applications in medicine (identification of tumours and skin lesions without the necessity of biopsy) and the exploring of new sources of raw material for the pharmaceutical industry are described.
Raman Imaging
Authors: Treado Patrick J. , Nelson Matthew P.
Published: September 2006

The sections in this article are

Introduction

Raman Image Contrast Reveals Composition and Structure

Raman Images are Multidimensional

Imaging Strategies

Point‐by‐Point Scanning

Line Imaging

Widefield Imaging

Raman Spectrum Enables Objective Imaging

WidefieldRaman Imaging System Designs

Hadamard Transform

Fiber ArrayRaman Imaging

Dielectric Interference Filter

Acousto‐Optic Tunable Filter

Liquid Crystal Imaging Spectrometers

LyotLCTF

Evans Split Element Filters

Fabry–PerotLCTF

Raman Imaging Fiberscopes

Fiberscope Imaging Performance

Raman Imaging Performance Comparison

Problem Solving withRaman Imaging

Raman Image Processing

General Requirements

Multivariate Image Analysis

Correlation Analysis

Factor Analysis

Cluster Analysis

Applications

Semiconductors

Silicon

Silicon Carbide

Gallium Nitride and Related Alloys

Fuel Cells

Meteorites and Minerals

Meteorites

Minerals

Polymers

Pharmaceuticals

Biomaterials

Conclusions
Optical Fibers for Mid‐Infrared Spectrometry
Authors: Lendl Bernhard , Mizaikoff Boris
Published: September 2006

The sections in this article are

Overview

Introduction to Infrared Transparent Fibers

General Considerations On Mid‐Infrared Optical Fibers

Losses in Optical Fibers

Measurement of Optical Losses

Brief History

Infrared Fiber Optic Materials

Solid‐Core Fibers

Glass Fibers

HMF

Fibers

Germanate Fibers

Chalcogenide Fibers

Te
X

Fibers

Crystalline Fibers

Single‐Crystal Sapphire Fiber

Polycrystalline Fibers

Hollow‐Core Fibers

Leaky Waveguides (Metallic or Dielectric Cladding)

n

 < 1 Waveguides

Summary of Properties

Commercial Aspects

Conclusion and Outlook
Fiber‐Optic Probes for Near‐Infrared Spectrometry
Authors: Todd Terry R.
Published: September 2006

The sections in this article are

Introduction

Fundamentals of a Fiber Optic Probe

Types of Probes Used inNIRSpectroscopy

Transmission Probes – Insertion

Transmission Probes – Flow Cell

Cuvette Holders

Transflection Probes

Reflection Probes

ATRProbes

Self‐Referencing Probes

Choosing Probes to Solve Real World Measurement Problems

Probe‐Induced Spectral Artefacts

Probe‐Related Calibration Transfer Issues

Acknowledgments
Depth Profiling by
ATR
Authors: Ekgasit Sanong , Ishida Hatsuo
Published: September 2006

The sections in this article are

Introduction

Interaction between Light and Medium

Depth Profiling Via the Laplace Transform Technique

Depth Profiling: The Exact Optical Theory Technique

Depth Profiling Via Multiple‐Angle Approach

Depth Profiling Via Multiple‐Frequency Approach

Comparison Among Depth Profiling Techniques

Conclusions
Flow Injection Analysis–
F
ourier Transform Infrared Spectrometry (
FIA
/
FT
‐
IR
)
Authors: Garrigues Salvador , de la Guardia Miguel
Published: September 2006

The sections in this article are

Advantages and Historical Perspective of the Use of

FIA

in

FT
‐
IR

Direct Analysis of Samples by

FIA

/

FT
‐
IR

FIA

/

FT
‐
IR

Determinations after Liquid Extraction

FIA

/

FT
‐
IR

Determinations after Solid‐Phase Extraction

Enzymatic Analysis by

FIA

/

FT
‐
IR

Vapor Generation

FT
‐
IR

New Developments
Thermal Analysis/
R
aman
Authors: Jayasooriya Upali A.
Published: September 2006

Unambiguous vibrational spectroscopic characterization of different phases of matter using Raman spectroscopy is described. Three variants of in situ measurement using Fourier transform‐Raman (FT‐Raman) spectroscopy and differential scanning calorimetry (DSC), CCD‐Raman and DSC, and simultaneous Raman‐DSC with fibre‐optic coupling are discussed together with examples of application.
Infrared Emission Spectroscopy
Authors: Mink J.
Published: September 2006

Infrared emission spectroscopy (IRES) is concerned mainly with thermal emission of molecular systems. IRES can be applied to the analysis of a wide range of organic and inorganic substances in solid, liquid and gaseous phases, such as bulk materials, surfaces, catalysts, thin layers, etc.

The chapter discusses the basic principles and laws of thermal radiation and thermal emission of blackbodies and nonblackbodies. The spectral distortion due to self‐absorption; the influence of sample temperature, thickness, and surface reflectivity; and the role of correction for detector temperature are discussed. Basic principles of laboratory methods, instrumentation, sample preparation, and quantitative aspects are summarized.

Examples of applications of IRES in mid‐ and far‐infrared region for study of supported metal catalysts, metal powders, thin layers, and adsorbates on metal single crystals are given and the emission–absorption phenomenon are discussed in detail.
Near‐Field Optical Microscopy
Authors: Kawata Satoshi , Inouye Yasushi
Published: September 2006

The sections in this article are

Introduction

History of near‐Field Microscopy Research

Near‐Field Imaging for Super‐Resolution

Near‐Field Probes

Infrared Sources

Near‐Field Imaging and Spectroscopy with an Attenuated Total Reflection Configuration

Near‐Field Imaging and Spectroscopy with a Conical‐Tip Probe

Near‐Field Imaging and Spectroscopy with an Aperture Probe

Local Field Enhancement for
R
aman‐Scattering near‐Field Spectroscopy

Near‐Field
R
aman Imaging and Spectroscopy with an Apertureless Metallic Probe

Conclusions
The Use of Near‐Field Probes for Vibrational Spectroscopy and Photothermal Imaging
Authors: Pollock Hubert M. , Smith D. Alastair
Published: September 2006

There has recently been an explosion in the development of “near‐field” technology and in its application to the
imaging or localized spectroscopy
of solid state, organic, and biological samples. Typically, suitable analytical techniques such as Raman scattering and infrared (IR) spectroscopy are incorporated into the design of an atomic force microscope (AFM) or a scanning near‐field optical microscope (SNOM).

Although the difficulty of low signal levels in near‐field spectroscopic imaging are compounded when we attempt to use Raman scattering or IR absorption as the contrast mechanism, the potential benefits of high spatial resolution chemical mapping will continue to be a potent driving force in the development of vibrational near‐field spectroscopy. We describe how the photothermal effect has been used to achieve chemical resolution combined with sub‐wavelength spatial imaging, giving localised PhotoThermal Micro‐Spectroscopy (PTMS). This technique is closely related to microthermal analysis, where in an AFM the conventional near‐field tip is replaced by a miniature heater/thermometer.
Beam Deflection Photothermal Spectroscopy
Authors: Power J.F.
Published: September 2006

The sections in this article are

Introduction

Beam Deflection Principles

Optical Principles

Heat Diffusion Principles

Collinear Photothermal Deflection

Normal Photothermal Deflection

Instrumentation and Measurement

Applications
Spectra– Structure Correlations in the Mid‐ and Far‐Infrared
Authors: Shurvell H.F.
Published: September 2006

A rapid and simple method for obtaining preliminary information on the identity or structure of an organic molecule is to record an infrared absorption spectrum of the compound. Infrared spectroscopy gives information on molecular structure through the frequencies of vibrations of the molecule. From knowledge of group frequencies, direct information about the presence (or absence) of certain functional groups in an unknown compound is available from an infrared spectrum. Comparison of the spectrum of an unknown material with the spectra of known compounds can lead to the identification of the unknown substance.

This section concentrates on spectra–structure correlations in the mid‐ and far‐infrared. An introduction to group frequencies and factors affecting them is given. Tables of group frequencies are provided and a systematic method for the analysis of a spectrum is presented. Examples on the use of spectra–structure correlations are given. A bibliography of the methods and references to collections of spectra are included.
Hydrogen Bonding
Authors: George W.O. , Lewis Rh.
Published: September 2006

The sections in this article are

Introduction to the Hydrogen Bond

Vibrational Parameters Associated withH‐Bond Formation

Changes inAHandBVibrational Modes upon Complexation

Structure, Breadth and Intensification of νSupon Complexation

H‐Bond Stretch: An Indicator ofH‐Bond Strength

Experimental Overview

Ab Initio Calculations ofIRandRaman Spectra ofH‐Bonded Complexes

Complexes in Solids, Liquids, and Solutions

Low‐Resolution Studies ofH‐Bonding in Gases and Vapors and in Matrix Isolation

High‐ResolutionIRSpectroscopy ofH‐Bonded Complexes

H‐Bonding in Polymers and Biological Systems
Expert Systems
Authors: Hemmer Markus C.
Published: September 2006

The sections in this article are

Introduction

Techniques Used in Expert Systems

Fuzzy Logic

Pattern Recognition

Artificial Neural Networks

Spectrum and Structure Representation

Spectrum Representation

Structure Descriptors

Spectrum Interpretation

Mathematical Models

Rule‐Based Expert Systems

Fuzzy Logic Approaches

Artificial Neural Networks for Spectrum Interpretation

Simulation ofIRSpectra with Counterpropagation Neural Networks

Structure Elucidation

Computer‐Assisted Structure Elucidation

Derivation of the3DStructure by Counterpropagation Neural Networks

Combined Spectra Analysis

Outlook
Use of Group Theory for Band Assignment and Structure Correlation
Authors: Tasumi Mitsuo , Sakamoto Akira , Hieda Toyohiko , Torii Hajime
Published: September 2006

The sections in this article are

Introduction

R
aman Intensity of the In‐Phase
CH
Out‐of‐Plane Wag of the Trans
HC

CH
Group

Experimental Findings and Working Hypothesis

Trans‐Stilbene

Carotenoids

Working Hypothesis

Calculations of the
R
aman Intensity of the “In‐Phase
CH
Out‐of‐Plane Wag” for Distorted Model Molecules

The Case of Trans‐2‐Butene

The Case of Trans‐1,3,5‐Hexatriene

Conclusion of this Section

Structure of the Second Stable Conformer of 1,3‐Butadiene and Its Infrared Spectrum

Conclusion
Vibrational Intensities: Interpretation and Use for Diagnostic Purposes
Authors: Gussoni M. , Castiglioni C. , Zerbi G.
Published: September 2006

The sections in this article are

Introduction

Parametrization of Infrared Intensities

Internal Derivatives of the Dipole Moment (

P

R

)

Atomic Polar Tensors

Electrooptical Parameters

Equilibrium Charges and Charge Fluxes
(

ECCF

)

Conclusion on Intensity Parameters

Problems Occurring in the Parametrization

Use of Data From Isotopic Species

Rotational Corrections

Sum Rules

Signs of the Dipole Moments

Overlay Technique

Redundancies

Principal Uses of the Different Parametrizations

History

Transferable Parameters

Interpretation

Comparison with Quantum Mechanics

Calculated Infrared Intensities

Calculated

P

R

and their Signs

Calculated

P

X

and their Partitions

Atomic Charges

Use of Intensity Markers for Diagnosis

Acidity of Hydrogen Atoms in Hydrocarbons

Activation of

‐Modes

A Final Comment

Appendices

Appendix 1 Background

Appendix 2

CCFO

Partition of

APT

Appendix 3 King's Effective Charges and

ECCF
Discriminant Analysis by Neural Networks
Authors: Yang Husheng
Published: September 2006

The sections in this article are

Introduction to Neural Networks

Neural Network Algorithms

Multilayer Feed‐Forward Neural Networks

KohonenSelf‐Organizing Feature Maps(SOMs)

Hopfield Network

Other Neural Network Architectures

Bidirectional Associative Memory(BAM) Network

Radial Basis Function(RBF) Network

Counterpropagation(CP) Network

Hamming Network

Holographic Network

Applications of Discriminant Analysis in Vibrational Spectroscopy

Applications to Mid‐Infrared Spectra

Structural Feature Recognition

Identification of Small Features and Classification of Spectra of Small Variance

Applications ofBAM, Hamming, and Holographic Networks

Applications toNIRSpectra

Applications toRaman Spectroscopy
Classification Methods
Authors: Isaksson Tomas , Aastveit Are Halvor
Published: September 2006

The sections in this article are

Introduction and Definitions

Nomenclature and Definitions

Preprocessing

Covariance, Collinearity and Data Reduction Methods

Distance Measurements

Cluster Analysis

Hierarchical Cluster Analysis

Linkage Methods

Nonhierarchical Cluster Analysis

Cluster Analysis Applications

Discriminant Analysis

Linear Discriminant Analysis Methods

Linear Discriminant Analysis

Fisher's Linear Discriminant Function

Regression as a Discriminant Analysis Method

Quadratic Discriminant Analysis

K
Nearest Neighbor

Soft Independent Modeling of Class Analogies

A Comparative Example

Choosing a Discriminant Analysis Method
2
D
Correlation Spectroscopy in Vibrational Spectroscopy
Authors: Ozaki Yukihiro
Published: September 2006

The sections in this article are

Introduction

IR

Spectroscopy

NIR
Spectroscopy

R
aman Spectroscopy

2
D
Hetero‐Spectral Correlation

External Perturbation

Applications of 2
D
Mid‐

IR

Spectroscopy

Polymers

Semicrystalline Polymers

Immiscible Polymer Blends

Dynamic

IR

Linear Dichroism and 2
D
Correlation Spectroscopy of Poly(ɛ‐Caprolactone)

Liquid Crystals

Chemical Reactions

Proteins

Applications of 2
D
NIR
Spectroscopy

Polymers

Temperature‐Dependent Structural Variations of an Amorphous Polyamide Studied by 2
D
NIR
Spectroscopy

Applications of 2
D
Correlation Spectroscopy in Depth‐Profiling Photoacoustic Spectroscopy and
NIR
Dynamic Rheo‐Optics – Study of a Polymeric Laminate Film

A 2
D
NIR
Correlation Spectroscopy Study on Composition‐Dependent Spectral Variations in Ethylene/Vinyl Acetate Copolymers

Proteins

Applications of 2
D
R
aman Spectroscopy

Polymers

Proteins

Hetero‐Spectral Correlation Analysis

2
D
R
aman‐
NIR
Hetero‐Spectral Correlation Analysis of the Specific Interactions in Partially Miscible Blends of Poly(Methyl Methacrylate) and Poly(4‐Vinylphenol)

Conformational Changes of Ribonuclease a Upon Thermal Unfolding Studied by 2
D
Mid‐

IR

,
NIR
and

IR

‐
NIR
Hetero‐Spectral Correlation Spectroscopy
Molecular Orientation Studies of Polymers by Infrared Spectroscopy
Authors: Bokobza Liliane
Published: September 2006

Various examples of filled elastomeric networks will illustrate the potential of vibrational spectroscopy for a better understanding of the reinforcement effect. The addition of an inorganic component to polymers usually leads to improvements in moduli. The increase in stiffness arises essentially from interfacial interactions between the organic and inorganic phases. These interactions, determined by the surface characteristics and the chemically active sites of the filler particles, play a major role in the mechanical response of the composite material. Vibrational spectroscopy has been used to get interesting insights into the quality of the interface. The results of the spectroscopic investigation are nicely combined with the macroscopic information provided by the mechanical analysis.
Measurement of the Physical Characteristics of Polymers
Authors: Tashiro Kohji
Published: September 2006

The sections in this article are

Introduction

Characteristics of Vibrational Spectra of Polymer Solids

Conformation‐Sensitive Bands

Crystallinity‐Sensitive Bands and Critical Sequence Length

Chain Packing Mode in the Crystal Lattice and Spectral Profile

Density of Vibrational State and the Dispersion Curve

Accordion Motion

Molecular Chain Orientation

Morphology and Infrared Spectra of Polymers

Spectroscopic Study of Structural Changes in Phase Transitions

Measurement Techniques

How to Control Temperature for Spectroscopic Measurements

Temperature Jump Technique

Spectroscopic Studies of Phase Transitions

Thermally Induced Phase Transitions of Vinylidene Fluoride Copolymers

Isothermal Crystallization of

PE

from the Melt

Solvent‐Induced Crystallization of

s
PS

Glass

Stress‐Induced Phase Transition of Poly(butylene terephthalate) and Elastic Rubbers

Mechanical Properties and Vibrational Spectra of Polymers

Molecular Deformation of a Polymer Crystal Under Tensile Stress

Experimental Proof of Theoretically Predicted Atomic Displacements

Simultaneous Measurements of Vibrational Spectra and Other Techniques

Combination of a Viscoelastometer with

FT
‐
IR

Spectroscopy
Vibrational Spectroscopy of Polymer Composites
Authors: Cole Kenneth C.
Published: September 2006

The chapter reviews and illustrates with examples the diverse applications of vibrational spectroscopy to the study of polymer composites, which are defined as materials consisting of a polymeric (thermoplastic or thermoset) matrix reinforced with fibers (carbon, glass, polymer) or inorganic particles. After some discussion of the experimental difficulties that must be dealt with in obtaining spectra of these heterogeneous materials, the literature is reviewed under the following subject categories: quality control of polymer composites; studies of reinforcements (carbon, glass, polymer fibers, inorganic particulate fillers, cellulose‐based fillers), their surface treatments, and interphases; thermoplastic matrices (crystallinity, orientation); thermoset matrices (the study and monitoring of curing by mid‐infrared, near‐infrared, and Raman spectroscopies); environmental degradation. The chapter concludes with a brief coverage of newer types of composite materials: nanocomposites based on layered silicates (nanoclays), sol–gel preparation methods, and carbon nanotubes; molecular composites; and polymer‐dispersed liquid crystals.
Vibrational Spectroscopy of Thin Organic Films
Authors: Gregoriou Vasilis G. , Rodman Sheila E.
Published: September 2006

The sections in this article are

Introduction

Applications to
SAMs

Investigations of

LB

Films

Investigation of Thin Polymer Films

R
aman Studies
Infrared Spectroelectrochemistry
Authors: Korzeniewski Carol
Published: September 2006

The sections in this article are

Introduction

Experimental

Infrared Spectrometer Systems

Sampling Methods

External Reflection

Attenuated Total Internal Reflection

Thin‐Layer Electrochemical Cells for in situ Infrared Measurements

Spectral Acquisition

Electrochemically Modulated Infrared and Subtractive Fourier Transform Infrared Spectroscopic Methods

Double‐Modulation Fourier Transform Infrared Spectroscopic Methods

Polarization Modulation

Electrode Potential Modulation

Applications

Electrocatalysis andCOSurface Chemistry

AdsorbedCO: Surface Coverage Effects

Infrared Spectroscopy of in situ Scanning Tunneling Microscopy‐Characterized Metal–Adsorbate Systems

AdsorbedCO: Surface Potential Effects

Discrimination Against Solution Species with Fourier Transform Electrochemically Modulated Infrared Spectroscopy

Organic Monolayers

Summary and Conclusions

Acknowledgments
Vibrational Spectroscopy in the Analysis of Dairy Products and Wine
Authors: Andersen Steen Kjær , Hansen Per Waaben , Andersen Hans Villemoes
Published: September 2006

The sections in this article are

Analytical Requirements in the Dairy and Wine Industry

History of Milk and Wine Analysis

MIRInstrumentation

General Design Consideration

Sample Cell Design

Homogenization of the Sample

High Pressure Flow System

Temperature Stabilization

Humidity

Vibrations

Transferability of Calibrations

Multivariate Calibration Techniques
RemoteRaman Spectroscopy. Profiling Water Vapor and Aerosols in the Troposphere UsingRaman Lidars
Authors: Turner D.D. , Whiteman D.N.
Published: September 2006

The sections in this article are

Introduction

Water Vapor

Aerosols

Raman Lidar History and Overview

History of theRaman Effect

Optical Remote Sensing and Lidar

Raman Lidar

The First Measurements: Nitrogen and Oxygen

Pollution Monitoring

Water Vapor

Water Temperature

Cloud Liquid Water

Atmospheric Temperature

Extinction/Optical Depth

Stratospheric Ozone

Theory ofRaman Lidar Water Vapor and Aerosol Measurements

ARMCARTRaman Lidar

Examples

Example Profiles

Evolution of the Water Vapor Field

Observation of Atmospheric Boundaries

Aerosol Processes

Aerosol and Water Vapor Climatologies

Upper Tropospheric Humidity

Cloud Properties

The Future
Astronomical Vibrational Spectroscopy
Authors: Kawaguchi K.
Published: September 2006

The sections in this article are

Introduction

Astronomical Objects

Interstellar Clouds and Evolution

Star Formation Region

Late‐Type Stars and Planetary Nebula

Cosmic Abundance

Line Width in Astronomical Objects

Interstellar Molecules

Detected Molecules

Molecular Energy Levels and Vibration–Rotation Transitions

Vibrational Transition Moment

Line Intensity and Molecular Abundance

Infrared Astronomy

Brief History

Infrared Detectors

Spectrometers

Infrared Observations of Gas‐Phase Molecules

H
2

H
3
+

Carbon and Oxygen Compounds

Sulfur Compounds

Infrared Observations of Solid‐Phase Species

Interstellar Dust

Small Molecules in Interstellar Dust Mantle

Unidentified Infrared Bands
(

UIR

s
)

Carriers for Unidentified Infrared Bands

Future Prospects

Nonpolar Molecules

Negative Ions

Infrared Lasers

Acknowledgments
Vibrational Spectroscopy in the Study of Fires
Authors: Yokelson Robert J. , Bertschi Isaac T.
Published: September 2006

The sections in this article are

Introduction

Overview of Useful Experimental Configurations

Retrieving Mixing Ratios from Smoke Spectra

Contributions of Vibrational Spectroscopy to Fire Science
Vibrational Spectroscopy in the Pulp and Paper Industry
Authors: Leclerc Denys F. , Trung Thanh P.
Published: September 2006

The sections in this article are

Introduction

Comparative Advantages and Limitations of Infrared andRaman Spectroscopies

Topical Overview of Article

History

Early Pulp and Paper Applications of Vibrational Spectroscopy

Current Scope ofFT‐IRandFT‐NIRPulp and Paper Applications

Current Scope ofRaman Pulp and Paper Applications

Sampling Methods

FT‐IRSampling Techniques

DRIFTS

ATR

FT‐IRMicroscopy

PAS

FT‐RamanSampling Techniques

Raman Microscopy

Raman Fiber‐Optic Probes

Laboratory Applications

Lignocellulosic Material Characterization

Cellulose and Lignin (Wood Species, Pulp, Paper)

Color/Brightness Reversion Studies

Extractives Analysis

Contaminant Analysis

Characterization of Papermaking Additives

FT‐IRandFT‐NIROn‐Line Applications

Kraft Pulping

Alkaline Sulfite Anthraquinone Methanol Pulping

Other Applications

FT‐Ramanand Other Vibrational Spectroscopic Applications

Lignin Content andKappa Number Determination

Brightness Reversion and Photo‐Yellowing

Classification of Wood Types

Paper and Paper Additives Analysis

Other Vibrational Spectroscopy Applications

Performance, Maintenance and Data Quality Issues

Performance and Maintenance Requirements

Reststrahlen (Inversion) Bands inDRIFTS

Optimization ofATRSensitivity

Raman Signal Enhancement of Lignocellulosic Materials

Development of Quantitative Methods

Univariate Calibration

Multivariate Calibration

Concluding Remarks

Acknowledgments
Applications of
R
aman Spectroscopy to the Identification and Conservation of Pigments on Art Objects
Authors: Clark Robin J.H.
Published: September 2006

Raman spectroscopy and more specifically Raman microscopy have now been established to be highly effective techniques whereby the pigments on manuscripts, paintings, enamels, ceramics, icons, polychromes and papyri may be identified. This situation has arisen because of many recent technical advances in the instrumentation, resulting in high spatial and spectral resolution, excellent specificity and sensitivity, and the fact that so many objects of art may be studied in situ, without the need for sampling. The results bear not only on aspects of restoration and conservation, but also on the authentication and dating of artwork. Both the speed with which the key information can be gathered and the near certainty of the conclusions are having a major effect on the art world.
Applications of Vibrational Spectroscopy in Soil and Environmental Sciences
Authors: Johnston Cliff T. , Wang Shan‐Li
Published: September 2006

The sections in this article are

Introduction

Sampling Methods

Attenuated Total Reflection

Diffuse Reflection

Transmission

Micro‐Raman Spectroscopy

Using Molecular Probes to Study Environmental Particles

Water

Oxyanions

Organic Probe Molecules

Organic Cations

Organic Anions

Neutral Organic Compounds

IRandRaman Studies of Humic Substances
Applications of Vibrational Spectroscopy to Geology
Authors: Gillet Philippe
Published: September 2006

The sections in this article are

Introduction

Vibrational Spectra of Minerals, Glasses and Fluids: Basic Aspects

Minerals: The Example of Carbonates

Glasses: The Example ofSiO2

Fluids

Micro‐Raman and Micro‐Infrared Spectroscopy

Micro‐Raman Spectroscopy

Micro‐Infrared Spectroscopy

Vibrational Spectroscopy of Minerals at High Pressure and Temperature

The Diamond Anvil Cell

Vibrational Spectroscopy at Elevated Temperatures

Some Examples in theSiO2System

From Vibrational Spectra of Minerals to Thermodynamic Properties

Spectroscopic Data for Some Representative Mineral Groups

Simple Minerals: Diamond, Graphite, Alkali Halides,MgO,TiO2and Simple Hydrous Phases

SiO2Polymorphs and Glass

Orthosilicates

Feldspars, Feldspathic Glasses and Other Framework Aluminosilicates

Chain Silicates: Pyroxenes and Amphiboles

Sheet Silicates: Micas, Clays and Serpentines

Pyrosilicates

Ring Silicates

Corundum and Ilmenite

Perovskites

Spinels

Carbonates

Phosphates

Sulfates and Sulfides

Conclusion

Acknowledgments
Photochemistry of Inorganic Molecules in Hydrocarbon Matrices
Authors: Bitterwolf Thomas E.
Published: September 2006

The sections in this article are

Introduction

Overview Comparisons of Organic and Gas Matrix Methods

Spectral Resolution and Spectral Operating Windows

Target Molecule Considerations

Organic Matrix Materials

Apparatus and Cost Considerations for Organic Matrix Studies

Photochemical Light Sources

Examples of Applications

GroupVIHexacarbonyl Compounds

V(CO)6−Photochemistry

(η5‐C5H5)2Fe2(CO)4

Large Molecules in Hydrocarbon Glasses – Annealing Studies

Molecular Transformations withoutCOLoss

Acknowledgments
Role of Near‐Infrared Spectroscopy in Minimally Invasive Medical Diagnosis
Authors: Schultz Christian P.
Published: September 2006

The sections in this article are

Introduction

The Concept and Reasons for Using Near‐Infrared Spectroscopy in Cases of Minimally Invasive Medical Procedures

Near‐Infrared Features of Biomolecules, Cells and Tissues Useful for Medical Diagnosis

Spectroscopic Tools for Evaluating Near‐Infrared Spectral Features in Clinical Settings

Near‐Infrared‐Guided Minimally Invasive Surgery

Depth Profiling Capabilities of Near‐Infrared Spectroscopy Using Bifurcated Fiber Optics

The Design Challenges in Fiber Optic Probes for Minimally Invasive Surgical Procedures

Existing Surgical Equipment and its Potential for Using Diagnostic Near‐Infrared Spectroscopy

Detection Systems and Data Evaluation Requirements in an Online Monitoring Environment

Near‐Infrared‐Assisted Minimally Invasive Monitoring of Body Fluids

Monitoring of Cerebrospinal Fluid During and After Surgery

Continuous Analysis of Blood Composition During Open Heart Surgery

Urea Detection and Clearance Monitoring in Dialysis Settings of Patients with Renal Failure

Conclusions and Future Perspectives
Vibrational Spectroscopy of Lipids
Authors: Lewis Ruthven N.A.H. , McElhaney Ronald N.
Published: September 2006

The sections in this article are

Introduction

Vibrational Spectroscopic Studies of Lipid Phase Transitions

Hydrocarbon Chain‐Melting Phase Transitions

C

H
Stretching Vibrational Modes

CH
2
Deformation,
CH
2
Wagging and
CH
2
Rocking Vibrational Modes

Carbon–Carbon Skeletal Vibrational Modes

Phase Transitions Involving Nonlamellar Lipid Phases

Phase Transitions Involving Crystalline Lipid Phases

Structural Characterization of Melted or Liquid‐Crystalline Lipid Phases

Estimation of Per‐Chain Conformer Concentrations in Melted Hydrocarbon Chains

Estimation of the Mean Lengths of All‐Trans Segments in Lipid Hydrocarbon Chains

Distribution of Chain Conformers along Lipid Hydrocarbon Chains

Structural Characterization of Crystalline and Quasi‐Crystalline Lipid Phases

Lateral Packing of Lipid Hydrocarbon Chains

Studies of the Polar–Apolar Interfaces of Lipid Aggregates

Interactions between Lipid Polar Headgroups

Concluding Remarks

Acknowledgments
Vibrational Spectroscopy of Membranes
Authors: Jackson Michael , Moore David J. , Mantsch Henry H. , Mendelsohn Richard
Published: September 2006

The sections in this article are

Introduction

Technical Issues

Preparation of Samples: Isolated Membranes

Preparation of Samples: Native Membrane Fractions

Preparation of Samples: Intact Cells

Infrared Spectroscopy

Instrumentation

Technical Challenges: Solvent Absorptions

Technical Challenges: Overlap of Absorption Bands

Applications of Infrared

Model Membranes

Membrane Fractions

Intact Membranes

Response of Cell Membranes to Altered Growth Conditions

Domain Formation

Future Prospects
Polymorphs, Solvates and Hydrates
Authors: Threlfall Terry
Published: September 2006

The sections in this article are

Introduction – The Nature of Polymorphism and Solvation

Mid‐Infrared Spectroscopy

Quantitative Mid‐Infrared Measurements

Burger's Infrared Rule

Stability

Near‐Infrared Spectroscopy

Raman Spectroscopy

Infrared andRaman Microspectroscopy
The Analysis of Pharmaceutical Substances and Formulated Products by Vibrational Spectroscopy
Authors: Clark Don
Published: September 2006

The sections in this article are

Introduction

Pharmacopoeial Considerations

Bulk Sample Analysis

Drug Substance Characterization

Process Analytical Chemistry Applications

Formulation Analysis

Microscopical Sample Analysis

Drug Substance Characterization

Forensic Analysis

Formulation Analysis byRaman Chemical Mapping

Conclusions

Acknowledgments
Approximate method for nonlinear differential and integrodifferential equations
Authors: Polyakov Yuriy S. , Dil'man Viktor V.
Published: September 2006

A generalized variable‐parameter averaging (GVPA) method to solve nonlinear differential and integrodifferential equations is formulated. The method uses a constant‐parameter solution to the original problem together with averaging and interpolation to obtain approximate solutions to some chemical engineering problems with variable parameters, such as transfer coefficients or permeate velocity. The efficiency of the method is studied with application to the ultrafiltration in dead‐end outside‐in hollow‐fiber modules, filtration in hollow‐fiber membrane adsorbers, mass transfer with a variable diffusion coefficient, and concentration polarization in unstirred reverse osmosis batch cells. Comparison with the numerical solutions to the complex chemical engineering problems shows that the solutions obtained by the GVPA method provide a sufficient accuracy in describing the process performance and dramatically cut down the computation time. © 2006 American Institute of Chemical Engineers AIChE J, 2006
Chromaffin cells in the adrenal homolog of Aphanius fasciatus (teleost fish) express piecemeal degranulation in response to osmotic stress: A hint for a conservative evolutionary process
Authors: Crivellato Enrico , Civinini Annalena , Gallo Valentina Patrizia
Published: September 2006

The effect of severe osmotic stress on the ultrastructural morphology of chromaffin cells in the adrenal homolog of Aphanius fasciatus, a small eurhyaline teleost living in saltpans, was evaluated by electron microscopy quantitative analysis. Fishes were transferred from salt water, whose salinity was 3.7%, to dechlorinated tap water and chromaffin cells were studied at resting condition and after 2 and 48 hr from the beginning of the experiment. Ultrastructural examination revealed a series of granule and cytoplasmic changes highly specific for piecemeal degranulation (PMD), a secretory process based on vesicular transport of cargoes from within granules for extracellular release, which was previously described in chromaffin cells of the mouse, rat, and human adrenal medulla. There was indeed a significant trend toward loss of content material from chromaffin granules accompanied by enlargement of granule size. Remarkably, chromaffin granules maintained their individual close structure during the whole releasing process and eventually transformed into large empty containers. A dramatic increase in the density of small, membrane‐bound, variably electron‐dense vesicles free in the cytoplasm or attached to granules was recognized during the first 2 hr of stress response. These features fell to control levels after 48 hr. A similar time‐course pattern was observed concerning the formation of budding projections from the surface of chromaffin granules. This study provides new insight into PMD physiology and suggests that PMD is part of an adaptive secretory response to severe osmotic stress in fishes. From an evolutionary point of view, this study lends support to the concept that PMD is a secretory mechanism highly conserved throughout vertebrate classes. Anat Rec Part A, 288A:1077–1086, 2006. © 2006 Wiley‐Liss, Inc.
Engineering promoter regulation
Authors: Nevoigt Elke , Fischer Curt , Mucha Oliver , Matthäus Falk , Stahl Ulf , Stephanopoulos Gregory
Published: September 2006

Systems for easily controlled, conditional induction or repression of gene expression are indispensable tools in fundamental research and industrial‐scale biotechnological applications. Both native and rationally designed inducible promoters have been widely used for this purpose. However, inherent regulation modalities or toxic, expensive or inconvenient inducers can impose limitations on their use. Tailored promoters with user‐specified regulatory properties would permit sophisticated manipulations of gene expression. Here, we report a generally applicable strategy for the directed evolution of promoter regulation. Specifically, we applied random mutagenesis and a multi‐stage flow cytometry screen to isolate mutants of the oxygen‐responsive Saccharomyces cerevisiae DAN1 promoter. Two mutants were isolated which were induced under less‐stringent anaerobiosis than the wild‐type promoter enabling induction of gene expression in yeast fermentations simply by oxygen depletion during cell growth. Moreover, the engineered promoters showed a markedly higher maximal expression than the unmutated DAN1 promoter, under both fastidious anaerobiosis and microaerobisois. Biotechnol. Bioeng. 2007;96: 550–558. © 2006 Wiley Periodicals, Inc.
Hydrogen‐Bonded Oligo(p‐phenylenevinylene) Functionalized with Perylene Bisimide: Self‐Assembly and Energy Transfer
Authors: Zhang Jian , Hoeben Freek J. M. , Pouderoijen Maarten J. , Schenning Albertus P. H. J. , Meijer E. W. , De Schryver Frans C. , De Feyter Steven
Published: September 2006

We describe the synthesis, supramolecular ordering on surfaces and in solution, and photophysical characterization of OPV4UT‐PERY, an oligo(p‐phenylenevinylene) (OPV) with a covalently attached perylene bisimide moiety. In chloroform, the molecule forms dimers through quadruple hydrogen bonding of the ureido‐s‐triazine array. This is supported by scanning tunneling microscopy (STM) studies, which reveal dimer formation at the liquid (1,2,4‐trichlorobenzene)/solid (graphite) interface. Moreover, contrast reversal in bias‐dependent STM imaging provides information on the ordering and different electronic properties of the oligo(p‐phenylenevinylene) and perylene bisimide moieties. In dodecane, the molecule self‐assembles into H‐type aggregates that are still soluble as a result of the hydrophobic shell formed by the dodecyloxy wedges. The donor–acceptor molecule is characterized by efficient energy transfer from the photoexcited OPV to the perylene bisimide. Mixed assemblies with analogous OPVs lacking the perylene bisimide unit have been prepared in dodecane solution and energy transfer to the incorporated perylene bisimides has been studied by fluorescence spectroscopy.
A simple analytical model to describe dynamic magic‐angle spinning experiments
Authors: Hirschinger Jérôme
Published: September 2006

A simple analytical method based on the memory‐function approach and the Anderson‐Weiss theory is presented for studying in a uniform way the spin dynamics in several NMR experiments performed under the conditions of magic‐angle spinning (MAS). A series of 1H MAS spectra of adamantane serve as an example for a sample with homogeneous line broadening. A good agreement between experimental and calculated integral spinning sideband intensities for a spinning frequency ranging from 5 to 33 kHz is obtained using a sixth‐order approximation of the theory. Moreover, this model, which is able to describe the NMR spectra in the presence of a rotationally diffusive isotropic and anisotropic Gaussian‐Markoff process, allows the treatment of the combined effects of sample spinning and molecular motion. Finally, the application of MAS recoupling methods in the intermediate motional regime is examined by using the concept of refocusing pulses. It is shown that recoupling experiments such as rotational‐echo double‐resonance (REDOR) can still be applied in the presence of anisotropic molecular motion. © 2006 Wiley Periodicals, Inc. Concepts Magn Reson Part A, 28A: 307–320, 2006
Empirical evaluation of receiver‐based TCP delay control in CDMA2000 networks
Authors: Kwon Oh‐keun , Cha Hojung , Han Seung‐jae , Ha Rhan
Published: September 2006

Wide‐area broadband wireless technologies such as CDMA2000 often suffer from variable transfer rate and long latency. In particular, TCP window‐based rate control causes excessive buffering at the base station because of the lower transfer rate of the wireless link than that of the wired backhaul link. This performance characteristic of TCP further increases the end‐to‐end delay, and additional resources are required at the base station. This paper presents a practical mechanism to control the end‐to‐end TCP delay for CDMA2000 networks (or other similar wireless technologies). The key idea is to reduce and stabilize RTT (round‐trip time) by dynamically controlling the TCP advertised window size, based on a runtime measurement of the wireless channel condition at the mobile station. The proposed system has been implemented by modifying the Linux protocol stack. The experiment results, conducted on a commercial CDMA2000 1x network, show that the proposed scheme greatly reduces the TCP delay in non‐congested networks, while not sacrificing the TCP throughput in congested networks. Copyright © 2006 John Wiley & Sons, Ltd.
Effect of bed topography on soil aggregates transport by rill flow
Authors: Giménez Rafael , Léonard Joël , Duval Yves , Richard Guy , Govers Gerard
Published: September 2006

After its formation, a rill may remain in the field for months, often receiving lower flow rates than the formative discharge. The objective of this work was to evaluate the rill flow transport capacity of soil aggregates at discharges unable to erode the rill, and to analyse the influence of the rill macro‐roughness on this transport process. A non‐erodible rill was built in which roughness was reproduced in detail. In order to assess only the rill macro‐roughness, a flat channel with a similar micro‐roughness to that in the rill replica was built. Rill and channel experiments were carried out at a slope of 8 and at six discharges (8·3 × 10−5 to 5·2 × 10−4 m3 s−1) in the rill, and eight discharges (1·6 × 10−5 to 5·2 × 10−4 m3 s−1) in the channel. Non‐erodible aggregates of three sizes (1–2, 3–5 and 5–10 mm) were released at the inlet of the rill/channel. The number of aggregates received at the outlet was registered. The number and position of the remaining aggregates along the rill/channel were also determined. The rill flow was a major sediment transport mechanism only during the formation of the rill, as during that period the power of the flow was great enough to overcome the influence of the macro‐roughness of the rill bed. At lower discharges the transport capacity in the previously formed rill was significantly less than that in the flat channel under similar slope and discharge. This was determined to be due to local slowing of flow velocities at the exit of rill pools. Copyright © 2006 John Wiley & Sons, Ltd.
MRI/TRUS data fusion for brachytherapy
Authors: Daanen V. , Gastaldo J. , Giraud J. Y. , Fourneret P. , Descotes J. L. , Bolla M. , Collomb D. , Troccaz J.
Published: September 2006

Background

Prostate brachytherapy consists in placing radioactive seeds for tumour destruction under transrectal ultrasound imaging (TRUS) control. It requires prostate delineation from the images for dose planning. Because ultrasound imaging is patient‐ and operator‐dependent, we have proposed to fuse MRI data to TRUS data to make image processing more reliable. The technical accuracy of this approach has already been evaluated.

Methods

We present work in progress concerning the evaluation of the approach from the dosimetry viewpoint. The objective is to determine what impact this system may have on the treatment of the patient. Dose planning is performed from initial TRUS prostate contours and evaluated on contours modified by data fusion.

Results

For the eight patients included, we demonstrate that TRUS prostate volume is most often underestimated and that dose is overestimated in a correlated way. However, dose constraints are still verified for those eight patients.

Conclusions

This confirms our initial hypothesis. Copyright © 2006 John Wiley & Sons, Ltd.
Robotic cardiac surgery
Authors: Woo Y. Joseph
Published: September 2006

Background

Cardiac surgery, traditionally conducted via median sternotomy, has been recently forwarded by progressively advanced technology facilitating sternal‐sparing minimally invasive, access to the heart. Robotic systems, comprised of miniaturized surgical instruments mounted on long thin shafts with multiple degrees of range of motion coupled with a dual camera endoscope providing true three‐dimentional high‐magnification visualization have greatly propelled this field.

Methods

The robotic system and the literature base pertaining to robotic cardiac surgery is reviewed in depth.

Results

Robotic cardiac surgical procedures have been performed to repair and replace the mitral valve, bypass coronary arteries, close atrial septal defects, implant left ventricular pacing leads, and resect intracardiac tumors.

Conclusions

As minimally invasive and robotic surgical technology advances, so proceeds the spectrum of potential applications for robotic cardiac surgery. Copyright © 2006 John Wiley & Sons, Ltd.
Robust generation of almost‐periodic oscillations in a class of nonlinear systems
Authors: Gómez‐Estern F. , Barreiro A. , Aracil J. , Gordillo F.
Published: September 2006

This paper deals with the problem of generating, by state feedback, stable oscillations in high order nonlinear systems. The desired oscillations are robust in the presence of disturbances, such as unmodelled dynamics and bounded noise signals, which result in bounded deviations from the nominal target orbit. The method consists of two steps. First, a globally attractive oscillation is generated in a nominal second‐order subsystem. Based on a partition of the state space and solving the Lyapunov equation on each part, a strict Lyapunov function is obtained that ensures exponential convergence, even in the presence of disturbances, to a ring‐shaped region containing the target limit cycle. Then, the oscillation stabilizing controller and the strict Lyapunov function are extended to arbitrary order systems, via backstepping. Notwithstanding backstepping is intended for cascade systems, the acquired ability to deal with unmodelled dynamics permits the analytical treatment of non‐triangular structures, as is illustrated with the Ball and Beam example. Copyright © 2006 John Wiley & Sons, Ltd.
Design of stochastic fault tolerant control for H2 performance
Authors: Tao Feng , Zhao Qing
Published: September 2006

In this paper, the controller synthesis problem for fault tolerant control systems (FTCS) with stochastic stability and H2 performance is studied. System faults of random nature are modelled by a Markov chain. Because the real system fault modes are not directly accessible in the context of FTCS, the controller is reconfigured based on the output of a fault detection and identification (FDI) process, which is modelled by another Markov chain. Then state feedback and output feedback control are developed to achieve the mean square stability (MSS) and the H2 performance for both continuous‐time and discrete‐time systems with model uncertainties. Copyright © 2006 John Wiley & Sons, Ltd.