Applications of MO Theory in Organic Chemistry is a documentation of the proceedings of the First Theoretical Organic Chemistry meeting. This text is divided into five sections. Section A contains contributions ranging from the stereochemistry of stable molecules, radicals, and molecular ions, through hydrogen bonding and ion solvation to mathematical analyses of energy hypersurfaces. Section B deals with theoretical studies of organic reactions, including basecatalyzed hydrolysis, protonation, epoxidation, and electrophilic addition to double and triple bonds. Section C consists of topics starting with a qualitative configuration interaction treatment of thermal and photochemical organic reactions, followed by ab initio treatments of photochemical intermediates and a consideration of the role of Rydberg and valence-shell states in photochemistry. Section D provides analyses of methods for the determination and characterization of localized MO and discussions of correlated electron pair functions. Section E covers a very wide range from the application of statistical physics to the treatment of molecular interactions with their environments to a challenge to theoretical organic chemists in the field of natural products, and an introduction to information theory in organic chemistry. This book is a good source of information for students and researchers conducting study on the many areas in theoretical organic chemistry.
This book presents an in-depth study into the utility of ?-bond metathesis in Group 2 mediated reactivity. A comprehensive introduction defines the state of the art in both Group 2 mediated catalysis and dehydrocoupling. Structural investigations giving rise to a range of mixed s-block metal hydrides including a remarkable dodecabimetallic decahydride are then described. Subsequent extensive mechanistic work focussing on both silicon-nitrogen and boron-nitrogen dehydrocoupling gives insights into both congeneric effects down Group 2 and ligand effects centring upon magnesium. These studies show the striking effects of these factors, as well as the electronic nature of the hydridic coupling partner. Finally, the unprecedented introduction of single-electron transfer steps into Group 2 catalytic manifolds is described. The use of the stable radical TEMPO to induce single-electron transfer to substituents bound to Group 2 centres coupled with ?-bond metathesis allows a novel hydrogen release from silanes. David received his first degree (MChem (Hons)) in Chemistry with Industrial Training) in 2011 from the University of Bath, Bath, UK. David remained at Bath to subsequently work on Group 2 chemistry in the laboratory of Professor Michael Hill and was awarded his PhD for this work in 2014. David then undertook a short postdoctoral appointment focussing on novel oligo- and polystannanes collaborating between Bath and Professor Roland Fischer at TU Graz, Austria. In 2015, David took up a Lindemann Postdoctoral Fellowship researching p-block mediated small molecule activation in the laboratory of Professor Philip Power at UC Davis, USA.
This book focuses on several areas of intense topical interest related to applied spectroscopy and the science of nanomaterials. The eleven chapters in the book cover the following areas of interest relating to applied spectroscopy and nanoscience: · Raman spectroscopic characterization, modeling and simulation studies of carbon nanotubes, · Characterization of plasma discharges using laser optogalvanic spectroscopy, · Fluorescence anisotropy in understanding protein conformational disorder and aggregation, · Nuclear magnetic resonance spectroscopy in nanomedicine, · Calculation of Van der Waals interactions at the nanoscale, · Theory and simulation associated with adsorption of gases in nanomaterials, · Atom-precise metal nanoclusters, · Plasmonic properties of metallic nanostructures, two-dimensional materials, and their composites, · Applications of graphene in optoelectronic devices and transistors, · Role of graphene in organic photovoltaic device technology, · Applications of nanomaterials in nanomedicine. Dr. Prabhakar Misra received his Ph.D. from The Ohio State University in 1986. After a post-doctoral fellowship at the Laser Spectroscopy Facility of The Ohio State University, he joined Howard University in Washington, DC. He was a Visiting Scholar in 1990 at Northwestern University in Evanston, IL. He is currently a Professor of Physics and Director of the Laser Spectroscopy Laboratory at Howard University. He has served as Chair of the Department of Physics & Astronomy (2010-14) and the President of the Howard University Chapter of Sigma Xi, the Scientific Research Society (2013-14). Dr. Misra has been involved in basic and applied spectroscopic research that spans more than 25 years in the field of atomic and molecular physics and has contributed extensively to the spectroscopic characterization of stable and unstable molecular species, which have included free radicals and ions that impact combustion and plasma processes. He has served as co-editor of the book titled Ultraviolet Spectroscopy and UV Lasers (Marcel Dekker/CRC Press, 2002) and the research monograph Fundamentals & Current Topics in Molecular Structure Research (Research Signpost, 2011). He is a Visiting Scientist at the NASA Goddard Space Flight Center, Greenbelt, MD, where he has been involved in the development of an extensive database and spectral library of organic molecules for the Curiosity rover, which has relevance to the search for life on planets such as Mars. His current research interests involve the detailed characterization of a variety of nanomaterials (e.g. graphene, carbon nanotubes and metal oxides) using Raman Spectroscopy and Molecular Dynamics Simulations. Dr. Misra has been a recipient of the NASA Administrators Fellowship Program (NAFP) award, an NRC faculty fellowship at the Aeronautics and Space Engineering Board of the National Academy of Sciences in Washington, DC, and the Fulbright Scholar award. He is a Senior Member of the Optical Society of America and a Fellow of the American Society for Laser Medicine and Surgery.
This volume contains studies on the evolution and function of lightweight constructions of planktonic and other organisms, and examples of how they can be used to create new solutions for radical innovations of lightweight constructions for technological application. The principles and underlying processes responsible for evolution and biodiversity of marine plankton organisms are highly relevant and largely unresolved issues in the field of marine science. Amongst the most promising objects for the study of evolution of stable lightweight constructions are marine organisms such as diatoms or radiolarians. Research in these fields requires interdisciplinary expertises such as in evolutionary modelling, paleontology, lightweight optimization, functional morphology, and marine ecology. Considerable effort and expert knowledge in production engineering or lightweight optimization is necessary to transfer knowledge on biogenic structures and evolutionary principles into new lightweight solutions. This book show methods and examples of how this can be achieved efficiently.
As contrary as it sounds, ´´planning´´ - as we traditionally understand the term - can be the worst thing a company can do. Consider that volatile weather events disrupt trusted supply chains, markets, and promised delivery schedules. Ever-shifting geopolitical tensions as well as internal political upheaval within US and global governments derail long-planned new ventures. Technology failures block opportunities. Competitors suddenly change their products or release dates; your team cannot meet the pace of innovations in your market niche, leaving you sidelined. There are myriad ways in the current business environment for a company´s well-considered business plans to go awry. Most business schools continue to prepare managers to be effective in stable and predictable environments, conditions that, if they ever existed at all, are long gone. The Agility Shift shows business leaders exactly how to make the radical mind-set and strategy shift necessary to create an agile, entrepreneurial organization that can innovate and thrive in complex, ever-changing contexts. As author Pamela Meyer explains, there is much more involved than a reconfiguration of the org chart and job descriptions. It requires relinquishing the illusion of control at the very foundation of most management training and business practice. Despite most leaders´ approaches, ´´Agility is not simply accelerated planning.´´ Unlike many agility books on the market, The Agility Shift provides specific, actionable strategies and tactics for leaders at all levels of the organization to put into practice immediately to improve agility and achieve results. PLEASE NOTE: When you purchase this title, the accompanying reference material will be available in your Library section along with the audio. 1. Language: English. Narrator: Karen Saltus. Audio sample: http://samples.audible.de/bk/gdan/001798de/bk_rhde_002536_sample.mp3. Digital audiobook in aax.
´´Speak softly and carry a big stick´´, Theodore Roosevelt famously said in 1901 when the United States was emerging as a great power. It was the right sentiment, perhaps, in an age of imperial rivalry. But today many Americans doubt the utility of their global military presence, thinking it outdated, unnecessary, or even dangerous. In The Big Stick, Eliot A. Cohen - a scholar and practitioner of international relations - disagrees. He argues that hard power remains essential for American foreign policy. While acknowledging that the United States must be careful about why, when, and how it uses force, he insists that its international role is as critical as ever, and armed force is vital to that role. Cohen explains that American leaders must learn to use hard power in new ways and for new circumstances. The rise of a well-armed China, Russia´s conquest of Crimea and Eastern Ukraine, nuclear threats from North Korea and Iran, and the spread of radical Islamist movements like ISIS are some of the key threats to global peace. If the United States relinquishes its position as a strong but prudent military power and fails to accept its role as the guardian of a stable world order, we run the risk of unleashing disorder, violence, and tyranny on a scale not seen since the 1930s. The United States is still, as Madeleine Albright once dubbed it, ´´the indispensable nation´´. 1. Language: English. Narrator: Bill Thatcher. Audio sample: http://samples.audible.de/bk/blak/009582de/bk_rhde_002536_sample.mp3. Digital audiobook in aax.
For decades, American foreign policy has been based on the seductive belief that there exists a logical relationship between power of states and the physics of change. And yet today policies designed to make us safer instead make the world more perilous. History´s grandest war against terrorism creates more terrorists. Global capitalism, intended to boost the quality of life of people around the world, increases the gap between rich and poor. Decisions taken to stem a financial crisis guarantee its arrival. Environmental techniques engineered to protect species lead to their extinction. Middle East peace plans produce less peace. Our world is not becoming more stable or flatter or easier to comprehend. And what we face isn´t one single shift, like the end of World War Two or the collapse of the Soviet Union, so much as a revolutionary avalanche of ceaseless change. Now, drawing upon history, economics, complexity theory, human immunology, psychology and his own extraordinary experiences, Joshua Ramo puts forth a radical new model for looking at the world, one that embraces its inherent unpredictability--and offers our best hope for dealing with problems and disasters as they emerge. 1. Language: English. Narrator: Joshua Cooper Ramo. Audio sample: http://samples.audible.de/bk/hach/000237de/bk_rhde_002536_sample.mp3. Digital audiobook in aax.
Mitochondrial DNA is constantly exposed to, and damaged by oxygen radicals generated by Electron Transport Chain. This damage can lead to a loss of genetic information about key proteins in the ETC. What may follow is a dysfunction in cellular energy production and cell death, unless it is repaired. An efficient DNA repair mechanism in mitochondria keeps the amount of damage at an acceptably low level. The research in this book explores the ways to modulate the efficiency of mtDNA repair and evaluates its contribution to the overall cell survival. Introduction of Exonuclease III from E.coli into human mitochondria, either through stable transfection, or by protein transduction leads to a disruption of an efficient mtDNA repair and renders cells more sensitive to the oxidative stress. Modulation of mtDNA repair in this way can be a potentially useful treatment strategy for pathological conditions were a destruction of abnormal cells is a desired outcome, as in anticancer therapy. This work may be of interest to students or professionals working in the field of mtDNA repair.