6.2.2. Definition of Effective Properties 3064 6.3. Response Properties to Magnetic Fields 3066 6.3.1. Nuclear Shielding 3066 6.3.2. Indirect Spin−Spin Coupling 3067 6.3.3. EPR Parameters 3068 6.4. Properties of Chiral Systems 3069 6.4.1. Electronic Circular Dichroism (ECD) 3069 6.4.2. Optical Rotation (OR) 3069 6.4.3. VCD and VROA 3070 7. Continuum and Discrete Models 3071 7.1. Continuum Methods within MD and MC Simulations 3072

/pdf/quantum-mechanical-continuum-solvation-models-3edv963g14.pdf

Quantum mechanical continuum solvation models.

Jenny Schneider,*,† Masaya Matsuoka,‡ Masato Takeuchi,‡ Jinlong Zhang, Yu Horiuchi,‡ Masakazu Anpo,‡ and Detlef W. Bahnemann*,† †Institut fur Technische Chemie, Leibniz Universitaẗ Hannover, Callinstrasse 3, D-30167 Hannover, Germany ‡Faculty of Engineering, Osaka Prefecture University, 1 Gakuen-cho, Sakai Osaka 599-8531, Japan Key Lab for Advanced Materials and Institute of Fine Chemicals, East China University of Science and Technology, Shanghai 200237, China

Understanding TiO2 photocatalysis: mechanisms and materials.

In this work we investigated the antibacterial properties of differently shaped silver nanoparticles against the gram-negative bacterium Escherichia coli, both in liquid systems and on agar plates. Energy-filtering transmission electron microscopy images revealed considerable changes in the cell membranes upon treatment, resulting in cell death. Truncated triangular silver nanoplates with a {111} lattice plane as the basal plane displayed the strongest biocidal action, compared with spherical and rod-shaped nanoparticles and with Ag+ (in the form of AgNO3). It is proposed that nanoscale size and the presence of a {111} plane combine to promote this biocidal property. To our knowledge, this is the first comparative study on the bactericidal properties of silver nanoparticles of different shapes, and our results demonstrate that silver nanoparticles undergo a shape-dependent interaction with the gram-negative organism E. coli.

http://www.omnis-mg.hr/Radovi/EC-oblik-koreja.pdf

Does the antibacterial activity of silver nanoparticles depend on the shape of the nanoparticle? A study of the Gram-negative bacterium Escherichia coli.

Infrared spectroscopy of proteins.

Photoacoustic imaging (also called optoacoustic or thermoacoustic imaging) has the potential to image animal or human organs, such as the breast and the brain, with simultaneous high contrast and high spatial resolution. This article provides an overview of the rapidly expanding field of photoacoustic imaging for biomedical applications. Imaging techniques, including depth profiling in layered media, scanning tomography with focused ultrasonic transducers, image forming with an acoustic lens, and computed tomography with unfocused transducers, are introduced. Special emphasis is placed on computed tomography, including reconstruction algorithms, spatial resolution, and related recent experiments. Promising biomedical applications are discussed throughout the text, including (1) tomographic imaging of the skin and other superficial organs by laser-induced photoacoustic microscopy, which offers the critical advantages, over current high-resolution optical imaging modalities, of deeper imaging depth and higher absorptioncontrasts, (2) breast cancerdetection by near-infrared light or radio-frequency–wave-induced photoacoustic imaging, which has important potential for early detection, and (3) small animal imaging by laser-induced photoacoustic imaging, which measures unique optical absorptioncontrasts related to important biochemical information and provides better resolution in deep tissues than optical imaging.

/pdf/photoacoustic-imaging-in-biomedicine-5c6h0us7a9.pdf

Photoacoustic imaging in biomedicine

VOLUME 1: THEORY AND INSTRUMENTATION Introduction to the Theory and Practice of Vibrational Spectroscopy Instrumentation for Mid- and Far-infrared Spectroscopy Instrumentation for Near-infrared Spectroscopy Instrumentation for Raman Spectroscopy Time-resolved Spectroscopy Dichroism and Optical Activity in Vibrational Spectroscopy Surface-enhanced Vibrational Spectroscopy Other Instrumental Approaches for Vibrational Spectroscopy Calibration Procedures and Standards for Vibrational Spectroscopy VOLUME 2: SAMPLING TECHNIQUES Mid- and Near-infrared Transmission Spectroscopy Mid-infrared External Reflection Spectroscopy Mid-infrared Internal Reflection Spectroscopy Diffuse Reflection Spectroscopy Other IR Sampling Techniques Raman Spectroscopy Low Temperature and High Pressure Sampling Techniques Microscopy Depth profiling by Vibrational Spectroscopy Optical Conduits for Vibrational Specroscopy Hyphenated Techniques Atmospheric VOLUME 3: SAMPLE CHARACTERIZATION AND SPECTRAL DATA PROCESSING Spectra-Structure Correlations Group Theoretical and Numerical Approaches to the Calculation of Vibrational Spectra Discrimant Analysis Two-dimensional (2D) Analysis Spectral Enhancement and Band Resolution Techniques Quantitative Analysis Anomalies, Atifacts and Common Errors in Using Vibrational Spectroscopy Techniques Glossary VOLUME 4: APPLICATIONS IN INDUSTRY, MATERIALS AND THE PHYSICAL SCIENCES Analysis and Characterization of Polymers and Rubbers Rheo-optical Measurements of Polymers and Rubbers Materials Science Spectoelectrochemistry Process Vibrational Spectroscopy Atmospheric and Astronomical Vibrational Spectroscopy Industrial Applications of Vibrational Spectroscopy Forensic Applications of Vibrational Spectroscopy Catalysis Other Applications of Vibrational Spectroscopy Vibrational Spectroscopy in Education VOLUME 5: APPLICATIONS IN LIFE, PHARMACEUTICAL AND NATURAL SCIENCES Biomedical Applications Biochemical Applications Pharmaceutical Applications Food Science Agricultural Applications Abbreviations and Acronyms, Glossary, List of Contributors and Subject Index

Handbook of vibrational spectroscopy

Handbook of Vibrational Spectroscopy: Chalmers Vibrat 5V Set

This book will provide a survey of the major areas in which information derived from vibrational spectroscopy investigations and studies have contributed to the benefit of forensic science, either in a complementary or a unique way. This is highlighted by examples taken from real case studies and analyses of forensic relevance, which provide a focus for current and future applications and developments.

Infrared and Raman spectroscopy in forensic science

Infrared and Raman Spectroscopy in Forensic Science: Chalmers/Infrared and Raman Spectroscopy in Forensic Science

List of Contributors. Qualitative and Quantitative Analysis of Plastics, Polymers and Rubbers by Vibrational Spectroscopy (John M. Chalmers and Neil J. Everall). Spectra-Structure Correlations: Polymer Spectra (John M. Chalmers). Measurements of the Chemical Characteristics of Polymers and Rubbers by Vibrational Spectroscopy (F. James Boerio and S. Wirasate). Measurement of the Physical Characteristics of Polymers by Vibrational Spectroscopy (Kohji Tashiro). Depth Profiling of Polymers by Vibrational Spectroscopy (Peter M. Fredericks). Measurement of the Thermal and Solar Properties of Polymers by Vibrational Spectroscopy (M. Papini-Arconada and F. Papini). Polymer Optical and Dielectric Properties through Vibrational Spectroscopy (D.M. Smith and A.R. Chughtai). Infrared Linear Dichroism of Polymers (Thierry Buffeteau and Michel Pezolet). Basic of Orientation Measurement in Infrared and Raman Spectroscopy (Richard Ikeda, Bruce Chase and Neil J. Everall). Trichroic Infrared Measurements of Orientation (Jack L. Koenig). Variable-Temperature Rheo-Optical Fourier Transform Infrared Spectroscopy of Polymers (H.W. Siesler, G.G. Hoffmann, O. Kolomiets, F. Pfeifer and M. Zahedi). Dynamic Infrared Linear Dichroism of Polymers (Peter R. Griffiths and Georgia A. Arbuckle-Keil). Vibrational Spectroscopy of Polymer Composites (Kenneth C. Cole). Application of Vibrational Spectroscopy for the Analysis of Rubber Composites (Liliane Bokobza). Theory of Vibrational Spectroscopy of Polymers (Chiara Castiglioni). Vibrational Spectroscopy of Conducting Polymers: Theory and Perspective (Giuseppe Zerbi). Vibrational Spectroscopy of Conducting Polymers: Fundamentals and Applications (Yukio Furukawa).

John M. Chalmers

Papers

Handbook of vibrational spectroscopy

Handbook of Vibrational Spectroscopy: Chalmers Vibrat 5V Set

Infrared and Raman spectroscopy in forensic science

Infrared and Raman Spectroscopy in Forensic Science: Chalmers/Infrared and Raman Spectroscopy in Forensic Science

Vibrational spectroscopy of polymers : principles and practice