This book is a guide for researchers, academics and experimentalists who wish to explore density functional theory (DFT) on selected molecular systems. The salient features of the book include concise and complete coverage of DFT on biologically active molecules, a basic guide to DFT for beginners followed by its computational application using a powerful Gaussian program. Subsequently, discussions on synthetic compounds, amino acids, and natural products have been offered by the authors for the benefit of the reader. The book also features an exclusive chapter on the quantum theory of atoms in molecules and is supplemented by an appendix on the Gaussian output for methane. Key Features: · basic introduction of density functional theory · practical introduction to Gaussian program · interpretation of input and output files · explanation of calculated parameters · examples of several bioactive molecules (syenthetic and natural) · correlation between theory and experiments · exploration of the hydrogen bonds · appendix covering Gaussian outputs for methane · beginner friendly text · references at the end of each chapter DFT Based Studies on Bioactive Molecules is a suitable handbook for academics, students and researchers who are learning the basic biophysics and computational chemistry of bioactive molecules with reference to DFT models.

Many herbs and spices, in addition to their culinary use for taste, contain chemical compounds which have medicinal uses. For this reason, herbs and spices have been used for treating various ailments since ancient times. Modern scientific methods have enabled researchers to isolate bioactive compounds from herbs and spices and perform chemical analyses, which can be used to develop medicines to treat different diseases. This book series is a compilation of current reviews on studies performed on herbs and spices. Science of Spices and Culinary Herbs is essential reading for medicinal chemists, herbalists and biomedical researchers interested in the science of natural herbs and spices that are a common part of regional diets and folk medicine.

The fourth volume of this series features the following reviews:

1. Pharmacological effects of Curcuma longa, focused on anti-inflammatory, antioxidant and immunomodulatory effects

2. Ethnomedicinal uses, Phytochemistry, Pharmacological effects, Pre-clinical and Clinical studies on flaxseed: A spice and culinary herb-based formulations and its constituents

3. Nigella sativa (Prophetic medicine): The Miracle Herb

4. Properties of Mexican oregano (Lippia spp.) essential oils and their use in aquaculture

5. Curry leaf: An insight into its Pharmacological activities, Medicinal profile, and Phytochemistry

This reference informs readers about nanoscale design and synthesis of different nanomaterials. Chapters of the book account for variable nanoarchitecture, while explaining concepts which are central to the field of nanotechnology. It explains how nanodevices and microdevices can be used for nanophotonics, biophotonics and drug delivery applications. Advanced biochemical techniques ranging from fluorescence, plasmonics, enhanced plasmonics (EP) to metal enhanced fluorescence (MEF) from colloidal dispersion to single luminescent nanoplatforms and nanospectroscopy, microfluidics, nanofluidics, silica wave-guiding, lasers, nanolasers and photonic circuits for enhanced signal detections are also presented. In addition, proof of concept ideas of microdevices and nanodevices to real applications within other allied disciplines such as genomics, biochemistry, drug delivery and clinical chemistry (based on advanced optical detection and imaging) are highlighted. The book is an informative reference for readers studying biochemistry, pharmacology, biomedical engineering and related subjects at all levels, as well as general readers who want to learn about advanced applications in optics and photonics.

Advances in Organic Synthesis is a book series devoted to the latest advances in synthetic approaches towards challenging structures. The series presents comprehensive reviews written by eminent authorities on different synthetic approaches to selected target molecules and new methods developed to achieve specific synthetic transformations or optimal product yields. Advances in Organic Synthesis is essential for all organic chemists in academia and the industry who wish to keep abreast of rapid and important developments in the field. This volume presents the following chapters: - “On Water” And “In Water” Strategies for Heterocyclic Transformations - Ionic Liquid Based Polyoxometalates as Functionalized Organic-Inorganic Hybrid Materials for Catalytic Organic Reactions - Recent Advances in the Synthesis and Bio-Applications of some Oxygen and Sulphur Containing Seven Membered Heterocyclic Compounds - Application of Nitriles on the Synthesis of 5-Membered Azaheterocycles: An Update from 2014 To 2020 - The Role of Carbon-Based Solid Acid Catalysts in Organic Synthesis

Fundamentals of Materials Engineering - A Basic Guide is a helpful textbook for readers learning the basics of materials science. This book covers important topics and fundamental concepts of materials engineering including crystal structure, imperfections, mechanical properties of materials, polymers, powder metallurgy, corrosion and composites. The authors have explained the concepts in an effective way and by using simple language for the benefit of a broad range of readers. This book is also beneficial to the students in engineering courses at B.Sc, M.Sc, and M.Tech. levels.

This book provides notes for basic laboratory experiments in qualitative analysis of cations. The book introduces readers to basic methods and laboratory safety. Subsequent chapters cover six groups of cations. Each chapter explains important details that are required to understand how a particular analytical method works for detecting cations in samples, starting from sedimentation and ending with the identification. Key Features: - Simple, reader friendly format - introductory notes and summary - Covers several groups of metals - Appendix for handy reference with tables and references This is a useful textbook for early chemistry students and teachers as it equips the readers with sufficient information required to analyze chemical samples and deduce the presence of specific cations as part of laboratory coursework.

The advent of Industry 4.0 has opened a data-rich avenue of predicting and controlling premature degradation of industrial materials. For any industrial construction or manufacturing projects, performing analysis on the structural integrity of materials is crucial for their sustainability. </p> Corrosion Science: Modern Trends and Applications gives scholars a snapshot of recent contributions and development in the field of material corrosion. </p> The book presents 12 chapters that cover topics such as corrosion testing methods, anti-corrosive coating mechanisms, corrosion in different types of products (electronics, polymers), industrial systems (power plants, concrete constructions, and hydraulic systems), and corrosion as a result of environmental characteristics (such as marine surroundings). </p> The breadth of topics covered coupled with the reader-friendly presentation of the book make it highly beneficial for students, research scholars, faculty members, and R&D specialists working in the area of corrosion science, material science, solid-state science, chemical engineering, and nanotechnology. Readers will be equipped with the knowledge to understand and plan industrial processes that involve measuring the reliability and integrity of material structures which are impacted by corrosive factors.