International Journal of Computer and Applications

This article reviews some of the recent advances in Raman spectroscopy, in areas related to natural tissues and cell biology. It summarizes some of the most widely used peak frequencies and their assignments. The aim of this study is to prepare a database of molecular fingerprints, which will help researchers in defining the chemical structure of the biological tissues introducing most of the important peaks present in the natural tissues. In spite of applying different methods, there seems to be a considerable similarity in defining the peaks of identical areas of the spectra. As a result, it is believed that preparing a unique collection of the frequencies encountered in Raman spectroscopic studies can lead to significant improvements both in the quantity and quality of spectral data and their outcomes. This article is the first review of its kind to provide a precise database on the most important Raman characteristic peak frequencies for researchers aiming to analyze natural tissues by Raman ...

Raman spectroscopy of biological tissues

After an outline of work on rare-gas systems, which serves as a target for parallel work on alkali halides, and an initial brief survey of those parts of this parallel work for which results have been obtained, interionic potential models for alkali halides are considered in some detail. The rigid ion potentials of Fumi and Tosi are discussed and then a major part of the section is devoted to deriving a new set of polarizable ion potentials, which incorporate the ideas behind the lattice dynamical shell model. Extensions which include many-body terms in the potentials are considered briefly and finally the information which can be obtained from alkali halide diatomic molecules is discussed. In the third section methods of computer simulation for ionic liquids are outlined, concentrating on the molecular dynamics method, and some of the properties which can be obtained by analysing the ion trajectories are listed. Results from simulations, including some new work on LiF, NaCl and RbI, are reviewed.

Interionic potentials in alkali halides and their use in simulations of the molten salts

This perspective gives an overview of recent developments in surface-enhanced Raman scattering (SERS) for biosensing. We focus this review on SERS papers published in the last 10 years and to specific applications of detecting biological analytes. Both intrinsic and extrinsic SERS biosensing schemes have been employed to detect and identify small molecules, nucleic acids, lipids, peptides, and proteins, as well as for in vivo and cellular sensing. Current SERS substrate technologies along with a series of advancements in surface chemistry, sample preparation, intrinsic/extrinsic signal transduction schemes, and tip-enhanced Raman spectroscopy are discussed. The progress covered herein shows great promise for widespread adoption of SERS biosensing.

https://scholar.harvard.edu/files/him/files/2011_pccp.pdf

Recent progress in SERS biosensing

Lithium-ion batteries, simply known as lithium batteries, are distinct among high energy density charge-storage devices. The power delivery of batteries depends upon the electrochemical performances and the stability of the electrode, electrolytes and their interface. Interfacial phenomena of the electrode/electrolyte involve lithium dendrite formation, electrolyte degradation and gas evolution, and a semi-solid protective layer formation at the electrode–electrolyte interface, also known as the solid–electrolyte interface (SEI). The SEI protects electrodes from further exfoliation or corrosion and suppresses lithium dendrite formation, which are crucial needs for enhancing the cell performance. This review covers the compositional, structural and morphological aspects of SEI, both artificially and naturally formed, and metallic dendrites using in situ/in operando cells and various in situ analytical tools. Critical challenges and the historical legacy in the development of in situ/in operando electrochemical cells with some reports on state-of-the-art progress are particularly highlighted. The present compilation pinpoints the emerging research opportunities in advancing this field and concludes on the future directions and strategies for in situ/in operando analysis.

In situ analytical techniques for battery interface analysis

Many body interactions in binary ionic solids

The so-called S2-approximation in the Heitler-London theory of ionic crystals as developed by Lowdin gives rise to a three-body contribution in the cohesive energy. The present paper describes a method of deriving the coupling coefficients for the three-body potential from expressions given by Lundqvist. These coupling coefficients involve certain lattice sums which can be evaluated in terms of incomplete gamma functions by a method due to Born and Bradburn. A new lattice dynamical model of ionic solids has been suggested which is obtained by injecting the three-body coupling coefficients into the shell model of Woods et al. in a way that preserves symmetry in the wave vector space. Preliminary calculations show that this model can prove superior to other current models.



Die sogenannte S2-Naherung in der Theorie von Heitler-London der Ionenkristalle, wie sie von Lowdin entwickelt wurde, gibt Anlas zu einem Dreikorperbeitrag in der Anziehungsenergie. Die vorliegende Arbeit beschreibt eine Methode zur Ableitung der Kopplungskoeffizienten fur das Dreikorperpotential aus den Ausdrucken, die von Lundqvist gegeben wurden. Diese Kopplungskoeffizienten schliesen gewisse Gittersummen ein, die mit unvollstandigen Γ-Funktionen nach der Methode von Born und Bradburn berechnet werden konnen. Eine neues gitterdynamisches Modell der Ionenfestkorper wird vorgeschlagen, das durch das Einbeziehen der Dreikorperkopplungskoeffizienten in das Schalenmodell von Woods et al. in einer Weise erhalten wird, die die Symmetrie im Raum der Wellenvektoren erhalt. Vorlaufige Berechnungen zeigen, das dieses Modell sich anderen gelaufigen Modellen als uberlegen erweisen kann.

The Contribution of Three-Body Overlap Forces to the Dynamical Matrix of Alkali Halides

In 1928 the Indian physicist C V Raman (1888-1970) discovered the effect named after him virtually simultaneously with the Russian physicists G S Landsberg (1890-1957) and L I Mandelstam (1879-1944) I first provide a biographical sketch of Raman through his years in Calcutta (1907-1932) and Bangalore (after 1932) I then discuss his scientific work in acoustics, astronomy, and optics up to 1928, including his views on Albert Einstein's light-quantum hypothesis and on Arthur Holly Compton's discovery of the Compton effect, with particular reference to Compton's debate on it with William Duane in Toronto in 1924, which Raman witnessed I then examine Raman's discovery of the Raman effect and its reception among physicists Finally, I suggest reasons why Landsberg and Mandelstam did not share the Nobel Prize in Physics for 1930 with Raman

C. V. Raman and the Discovery of the Raman Effect

The three-body coupling coefficients computed in an earlier paper [14] have been injected in the shell model of ionic solids treating both the ions as polarizable. This modified shell model has been used to compute the dispersion curves and the two phonon combined density of states (C.D.S.) curves of KBr and KI. Excellent agreements have been obtained with the results of neutron scattering and Raman scattering experiments.



Die Dreikorper-Kopplungskonstanten, die in einer fruheren Arbeit [14] berechnet worden waren, wurden als Ausgangsdaten fur Rechnungen im Schalenmodell fur heteropolare Festkorper benutzt, wobei beide Ionenarten als polarisierbar behandelt wurden. Dieses modifizierte Schalenmodell wurde benutzt, um die Dispersionskurven und die Kurven der kombinierten Zwei-Phononenzustandsdichte (C.D.S.) von KBr und KJ zu berechnen. Es wurde sehr gute Ubereinstimmung mit den Ergebnissen von Neutronenstreuungs- und Ramanstreuungsexperimenten erhalten.

Rajinder Singh

Papers

Many body interactions in binary ionic solids

The Contribution of Three-Body Overlap Forces to the Dynamical Matrix of Alkali Halides

C. V. Raman and the Discovery of the Raman Effect

Effect of Three‐Body Forces on the Shell Model of Alkali Halides: Application to KBr and KI

Simulations on direct and cyclic use of saline waters for sustaining cotton–wheat in a semi-arid area of north-west India