다중혈관 관상동맥 환자에서 y-문합을 이용하여 양쪽 내흉동맥만을 사용한 우회술의 조기 성적

: The unpolarized absorption and circular dichroism spectra of the fundamental vibrational transitions of the chiral molecule, 4-methyl-2-oxetanone, are calculated ab initio. Harmonic force fields are obtained using Density Functional Theory (DFT), MP2, and SCF methodologies and a 5S4P2D/3S2P (TZ2P) basis set. DFT calculations use the Local Spin Density Approximation (LSDA), BLYP, and Becke3LYP (B3LYP) density functionals. Mid-IR spectra predicted using LSDA, BLYP, and B3LYP force fields are of significantly different quality, the B3LYP force field yielding spectra in clearly superior, and overall excellent, agreement with experiment. The MP2 force field yields spectra in slightly worse agreement with experiment than the B3LYP force field. The SCF force field yields spectra in poor agreement with experiment.The basis set dependence of B3LYP force fields is also explored: the 6-31G* and TZ2P basis sets give very similar results while the 3-21G basis set yields spectra in substantially worse agreements with experiment. jg

Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields

The first part of this two-part review focused on the fundamental and diagnostics aspects of laser-induced plasmas, only touching briefly upon concepts such as sensitivity and detection limits and largely omitting any discussion of the vast panorama of the practical applications of the technique. Clearly a true LIBS community has emerged, which promises to quicken the pace of LIBS developments, applications, and implementations. With this second part, a more applied flavor is taken, and its intended goal is summarizing the current state-of-the-art of analytical LIBS, providing a contemporary snapshot of LIBS applications, and highlighting new directions in laser-induced breakdown spectroscopy, such as novel approaches, instrumental developments, and advanced use of chemometric tools. More specifically, we discuss instrumental and analytical approaches (e.g., double- and multi-pulse LIBS to improve the sensitivity), calibration-free approaches, hyphenated approaches in which techniques such as Raman and fluorescence are coupled with LIBS to increase sensitivity and information power, resonantly enhanced LIBS approaches, signal processing and optimization (e.g., signal-to-noise analysis), and finally applications. An attempt is made to provide an updated view of the role played by LIBS in the various fields, with emphasis on applications considered to be unique. We finally try to assess where LIBS is going as an analytical field, where in our opinion it should go, and what should still be done for consolidating the technique as a mature method of chemical analysis.

https://journals.sagepub.com/doi/pdf/10.1366/11-06574

Laser-induced breakdown spectroscopy (LIBS), part II: review of instrumental and methodological approaches to material analysis and applications to different fields.

■ CONTENTS General Information: Books, Reviews, and Conferences 640 Fundamentals 641 Interaction of Laser Beam with Matter 641 Factors Affecting Laser Ablation and LaserInduced Plasma Formation 642 Influence of Target on the Laser-Induced Plasmas 642 Influence of Laser Parameters on the LaserInduced Plasmas 643 Laser Wavelength (λ) 643 Laser Pulse Duration (τ) 643 Laser Pulse Energy (E) 645 Influence of Ambient Gas on the Laser-Induced Plasmas 645 LIBS Methods 647 Double Pulse LIBS 647 Femtosecond LIBS 651 Resonant LIBS 652 Ranging Approaches 652 Applications 654 Surface Inspection, Depth Profiling, and LIBS Imaging 654 Cultural Heritage 654 Industrial Analysis 655 Environmental Monitoring 656 Biomedical and Pharmaceutical Analysis 658 Security and Forensics 659 Analysis of Liquids and Submerged Solids 660 Space Exploration and Isotopic Analysis 662 Space Exploration 662 Isotopic Analysis 662 Conclusions and Future Outlook 663 Author Information 664 Corresponding Author 664 Notes 664 Biographies 664 Acknowledgments 664 References 664

Laser-induced breakdown spectroscopy.

Laser induced breakdown spectroscopy (LIBS) is basically an emission spectroscopy technique where atoms and ions are primarily formed in their excited states as a result of interaction between a tightly focused laser beam and the material sample. The interaction between matter and high-density photons generates a plasma plume, which evolves with time and may eventually acquire thermodynamic equilibrium. One of the important features of this technique is that it does not require any sample preparation, unlike conventional spectroscopic analytical techniques. Samples in the form of solids, liquids, gels, gases, plasmas and biological materials (like teeth, leaf or blood) can be studied with almost equal ease.LIBS has rapidly developed into a major analytical technology with the capability of detecting all chemical elements in a sample, of real- time response, and of close-contact or stand-off analysis of targets. The present book has been written by active specialists in this field, it includes the basic principles, the latest developments in instrumentation and the applications of LIBS. It will be useful to analytical chemists and spectroscopists as an important source of information and also to graduate students and researchers engaged in the fields of combustion, environmental science, and planetary and space exploration. It features: recent research work, possible future applications and LIBS Principles.

Chapter 12 – Laser-Induced Breakdown Spectroscopy: Advanced Analytical Technique

We review the different spectroscopic techniques including the most recent laser-induced breakdown spectroscopy (LIBS) for the characterization of materials in any phase (solid, liquid or gas) including biological materials. A brief history of the laser and its application in bioscience is presented. The development of LIBS, its working principle and its instrumentation (different parts of the experimental set up) are briefly summarized. The generation of laser-induced plasma and detection of light emitted from this plasma are also discussed. The merit and demerits of LIBS are discussed in comparison with other conventional analytical techniques. The work done using the laser in the biomedical field is also summarized. The analysis of different tissues, mineral analysis in different organs of the human body, characterization of different types of stone formed in the human body, analysis of biological aerosols using the LIBS technique are also summarized. The unique abilities of LIBS including detection of molecular species and calibration-free LIBS are compared with those of other conventional techniques including atomic absorption spectroscopy, inductively coupled plasma atomic emission spectroscopy and mass spectroscopy, and X-ray fluorescence.

Prospects for laser-induced breakdown spectroscopy for biomedical applications: a review.

This article describes a model that simulates etching profiles in reactive ion etching. In particular, models are developed to explain the significant lateral etch rate that is observed in many etch profiles. The total etch rate is considered to consist of two superimposed components: an ion‐assisted rate and a purely ‘‘chemical’’ etch rate, the latter rate being due to etching by radicals in the absence of ion bombardment. The transport of radicals to the evolving interface is studied for two different transport mechanisms: re‐emission from the surface and diffusion along the surface. For the case of transport by surface re‐emission, a reactive sticking coefficient is defined for the radicals, and a formulation is developed to simulate etching for any value (between zero and unity) that this sticking coefficient may assume. When the sticking coefficient approaches either zero or unity, the method of characteristics is shown to be useful for profile simulation. Transport of radicals by surface diffusion is also investigated, and it is shown that the important dimensionless parameter governing profile evolution is the Damkohler number. The two models are compared to experiments performed on the etching of silicon in a SF6 plasma, and the surface re‐emission model is shown to accurately predict the development of etching profiles.

Simulation of profile evolution in silicon reactive ion etching with re‐emission and surface diffusion

This review assesses the applications of laser-induced breakdown spectroscopy (LIBS) for the analysis of a variety of samples, including biomaterials (teeth, nail, hair, gallstones, and kidney stones, etc.), food materials (fruits and vegetables, milk, salt, nutritional supplements, etc.), medicinal plants, industrial waste, liquid samples, etc. In addition, for the first time the identification of cholesterol and pigment stones was performed on the basis of atomic lines of different elements and molecular bands of C2 molecules present in the LIBS spectra of gallstones. Chemometric techniques such as principal component analysis (PCA) was also applied to LIBS data for rapid identification/classification of different gallstone samples. LIBS analysis of toxic/heavy elements present in vegetables (spinach, tomato) and rice is also presented in this review. It was observed that vegetables grown near industrial areas are rich in several toxic metals like Pb and Cr. The wastewater samples from differen...

Assessment of LIBS for Spectrochemical Analysis: A Review

Graphene oxide in water lubrication on diamond-like carbon vs. stainless steel high-load contacts

Kidney stone disease is a polygenic and multifactorial disorder with a worldwide distribution, and its incidence and prevalence are increasing. Although significant progress has been made in recent years towards identifying the specific factors that contribute to the formation of kidney stone, many questions on the pathogenesis of kidney stones remain partially or completely unanswered. However, none of the proposed mechanisms specifically consider the role(s) of the trace elements and, consequently, the contribution of trace constituents to the pathogenesis of kidney stones remains unclear and under debate. The findings of some studies seem to support a role for some major and trace elements in the initiation of stone crystallization, including as a nucleus or nidus for the formation of the stone or simply as a contaminant of the stone structure. Thus, the analysis of kidney stones is an important component of investigations on nephrolithiasis in order to understand the role of trace constituents in the formation of kidney stones and to formulate future strategies for the treatment and prevention of stone formation and its recurrence. The aim of this review is to compare and evaluate the methods/procedures commonly used in the analysis of urinary calculi. We also highlight the role of major and trace elements in the pathogenesis of kidney stones.

/pdf/kidney-stone-analysis-techniques-and-the-role-of-major-and-n2guahqp79.pdf

Vivek K. Singh

Papers

Prospects for laser-induced breakdown spectroscopy for biomedical applications: a review.

Simulation of profile evolution in silicon reactive ion etching with re‐emission and surface diffusion

Assessment of LIBS for Spectrochemical Analysis: A Review

Graphene oxide in water lubrication on diamond-like carbon vs. stainless steel high-load contacts

Kidney stone analysis techniques and the role of major and trace elements on their pathogenesis: a review