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Book
Intramolecular Hydrogen Bonding 2021
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Year: 2021 Publisher: Basel, Switzerland MDPI - Multidisciplinary Digital Publishing Institute

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Abstract

This book describes the results of both theoretical and experimental research on many topical issues in intramolecular hydrogen bonding. Its great advantage is that the presented research results have been obtained using many different techniques. Therefore, it is an excellent review of these methods, while showing their applicability to the current scientific issues regarding intramolecular hydrogen bonds. The experimental techniques used include X-ray diffraction, infrared and Raman spectroscopy (IR), nuclear magnetic resonance spectroscopy (NMR), nuclear quadrupole resonance spectroscopy (NQR), incoherent inelastic neutron scattering (IINS), and differential scanning calorimetry (DSC). The solvatochromic and luminescent studies are also described. On the other hand, theoretical research is based on ab initio calculations and the Car–Parrinello Molecular Dynamics (CPMD). In the latter case, a description of nuclear quantum effects (NQE) is also possible. This book also demonstrates the use of theoretical methods such as Quantum Theory of Atoms in Molecules (QTAIM), Interacting Quantum Atoms (IQA), Natural Bond Orbital (NBO), Non-Covalent Interactions (NCI) index, Molecular Tailoring Approach (MTA), and many others.


Book
Biological Crystallization
Authors: --- ---
ISBN: 3039214047 3039214039 Year: 2019 Publisher: MDPI - Multidisciplinary Digital Publishing Institute

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Abstract

For at least six hundred million years, life has been a fascinating laboratory of crystallization, referred to as biomineralization. During this huge lapse of time, many organisms from diverse phyla have developed the capability to precipitate various types of minerals, exploring distinctive pathways for building sophisticated structural architectures for different purposes. The Darwinian exploration was performed by trial and error, but the success in terms of complexity and efficiency is evident. Understanding the strategies that those organisms employ for regulating the nucleation, growth, and assembly of nanocrystals to build these sophisticated devices is an intellectual challenge and a source of inspiration in fields as diverse as materials science, nanotechnology, and biomedicine. However, “Biological Crystallization” is a broader topic that includes biomineralization, but also the laboratory crystallization of biological compounds such as macromolecules, carbohydrates, or lipids, and the synthesis and fabrication of biomimetic materials by different routes. This Special Issue collects 15 contributions ranging from biological and biomimetic crystallization of calcium carbonate, calcium phosphate, and silica-carbonate self-assembled materials to the crystallization of biological macromolecules. Special attention has been paid to the fundamental phenomena of crystallization (nucleation and growth), and the applications of the crystals in biomedicine, environment, and materials science.

Keywords

chitosan --- Csep1p --- bond selection during protein crystallization --- bioremediation --- education --- reductants --- heavy metals --- biomimetic crystallization --- MTT assay --- protein crystallization --- drug discovery --- optimization --- polymyxin resistance --- lysozyme --- ependymin-related protein (EPDR) --- equilibration between crystal bond and destructive energies --- barium carbonate --- dyes --- microseed matrix screening --- nanoapatites --- colistin resistance --- Haloalkane dehalogenase --- diffusion --- polyacrylic acid --- random microseeding --- protein ‘affinity’ to water --- insulin --- protein crystal nucleation --- agarose --- lithium ions --- ependymin (EPN) --- {00.1} calcite --- seeding --- Campylobacter consisus --- metallothioneins --- Crohn’s disease --- balance between crystal bond energy and destructive surface energies --- color change --- microbially induced calcite precipitation (MICP) --- crystallization of macromolecules --- crystallization --- calcein --- MCR-1 --- Cry protein crystals --- L-tryptophan --- circular dichroism --- crystal violet --- nanocomposites --- halide-binding site --- calcium carbonate --- PCDA --- ultrasonic irradiation --- adsorption --- biochemical aspects of the protein crystal nucleation --- GTL-16 cells --- proteinase k --- neutron protein crystallography --- classical and two-step crystal nucleation mechanisms --- thermodynamic and energetic approach --- heavy metal contamination --- N-acetyl-D-glucosamine --- crystallization in solution flow --- solubility --- biomorphs --- droplet array --- biomimetic materials --- ferritin --- biomineralization --- wastewater treatment --- H3O+ --- silica --- graphene --- supersaturation dependence of the crystal nucleus size --- pyrrole --- micro-crystals --- nucleation --- crystallography --- mammalian ependymin-related protein (MERP) --- high-throughput --- vaterite transformation --- gradients --- materials science --- bioprecipitation --- biomedicine --- human carbonic anhydrase IX --- protein crystal nucleation in pores --- growth --- crystal growth

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