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Analysis of Hydrogen Bonds in Crystals

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ISBN: 9783038422457 9783038422464 Year: Pages: XIV, 308 DOI: 10.3390/books978-3-03842-246-4 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Chemistry (General)
Added to DOAB on : 2016-08-29 12:35:45
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There is no doubt that the hydrogen bond is one of the most-often analyzed interactions, and there is also no doubt that experimental studies, especially those based on the determination of crystal structures are very important since they deliver valuable information on the nature of this interaction, on different types of the hydrogen bonds, and also on reactions where a hydrogen bond may be treated as the preliminary step.Since the role of the analysis of crystal structures for investigations concerning hydrogen-bonded systems is valuable, the Editorial Board of Crystals, thus, decided to devote a Special Issue of the journal to the analysis of hydrogen bonds in crystals.

Polyhedral Structures, Symmetry, and Applications

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ISBN: 9783038426899 9783038426882 Year: Pages: 322 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Mathematics
Added to DOAB on : 2018-02-08 13:24:15
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Symmetry is an intriguing phenomenon manifesting itself in art, nature, and the mind. This Special Issue book features 19 articles about discrete geometric and combinatorial polyhedral structures, with symmetry as the unifying theme. These articles present an attractive mix of topics and have appeared in two related Special Issues of Symmetry, on "Polyhedra" in 2012/2013 and on "Polyhedral Structures" in 2016/2017. Specific topic areas covered include polyhedra, tilings, and crystallography; abstract polyhedra, maps on surfaces, and graphs; and polyhedral structures, arts, and architectural design.

High-Pressure Studies of Crystalline Materials

ISBN: 9783038971313 9783038971320 Year: Pages: 330 DOI: 10.3390/books978-3-03897-132-0 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Chemistry (General) --- Mathematics --- Environmental Sciences
Added to DOAB on : 2018-09-20 10:13:12
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[This book is a printed edition of the Special Issue of Crystals: High-Pressure Studies of Crystalline Materials. It also includes additional articles published in Crystals and related to the topic of the Special Issue, which have been selected based upon their relevance and scientific quality.]

Physiology and Pathophysiology of the Extracellular Calcium-Sensing Receptor

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Book Series: Frontiers Research Topics ISSN: 16648714 ISBN: 9782889455126 Year: Pages: 189 DOI: 10.3389/978-2-88945-512-6 Language: English
Publisher: Frontiers Media SA
Subject: Science (General) --- Physiology
Added to DOAB on : 2019-01-23 14:53:42
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Calcium is vital for human physiology; it mediates multiple signaling cascades, critical for cell survival, differentiation, or death both as first and as second messenger. The role of calcium as first messenger is mediated by the G-protein coupled receptor, the extracellular calcium-sensing receptor (CaSR). The CaSR is a multifaceted molecule that senses changes in the concentration of a wide variety of environmental factors including di- and trivalent cations, amino acids, polyamines, and pH. In calcitropic tissues with obvious roles in calcium homeostasis such as parathyroid, kidney, and bone it regulates circulating calcium concentrations. The germline mutations of the CaSR cause parathyroid disorders demonstrating the importance of the CaSR for the maintenance of serum calcium homeostasis. The CaSR has an important role also in a range of non-calcitropic tissues, such as the intestine, lungs, central and peripheral nervous system, breast, skin and reproductive system, where it regulates molecular and cellular processes such as gene expression, proliferation, differentiation and apoptosis; as well as regulating hormone secretion and lactation.This Research Topic is an overview of the CaSR and its molecular signaling properties together with the various organ systems where it plays an important role. The articles highlight the current knowledge regarding many aspects of the calcitropic and non-calcitropic physiology and pathophysiology of the CaSR.

Compounds with Polar Metallic Bonding

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ISBN: 9783039210701 9783039210718 Year: Pages: 154 DOI: 10.3390/books978-3-03921-071-8 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Science (General) --- Chemistry (General) --- Inorganic Chemistry
Added to DOAB on : 2019-08-28 11:21:27
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The Special Edition 'Compounds with Polar Metallic Bonding' is a collection of eight original research reports presenting a broad variety of chemical systems, analytical methods, preparative pathways and theoretical descriptions of bonding situations, with the common aim of understanding the complex interplay of conduction electrons in intermetallic compounds that possess different types of dipoles. Coulombic dipoles introduced by electronegativity differences, electric or magnetic dipoles, polarity induced by symmetry reduction—all the possible facets of the term 'polarity'—can be observed in polar intermetallic phases and have their own and, in most cases, unique consequences on the physical and chemical behaviour. Elucidation of the structure–property relationships in compounds with polar metallic bonding is a modern and growing scientific field which combines solid state physics, preparative chemistry, metallurgy, modern analytic methods, crystallography, theoretical calculations of the electronic state and many more disciplines.

Crystal Structures of Compounds Containing Ions Selenite

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ISBN: 9783038975175 9783038975182 Year: Pages: 106 DOI: 10.3390/books978-3-03897-518-2 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Chemistry (General)
Added to DOAB on : 2019-01-17 10:59:27
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The chemistry of materials containing Se oxyanions in the +4 oxidation state, such as selenite, hydrogenselenite, and oxoselenate, are of increasing interest in the research community for several reasons. First, the lone pair on the selenium atom can behave as structure-directing agent towards the formation of materials characterized by the presence of hollows or channels in their intimate structures, moreover, the weakly coordinative capability of the Se(IV) electron lone pairs could give rise to interesting supramolecular interactions, and finally, it is known that the incorporation of selenite anions can lead to non-centrosymmetric structures and, consequently, to materials displaying remarkable physicochemical properties.The most important feature is that the full comprehension of the properties of this type of materials cannot be exhaustively understood unless the complete solid state crystal structure is available. In this Special Issue, entitled “Crystal Structures of Compounds Containing Ions Selenite”, a series of new selenite-containing compounds synthesized by different methodologies and fully caracterized in the solid state is reported. Moreover the fundamental role of detailed structural analysis in understanding the interactions in the solid state that are responsible for the peculiar chemical–physical properties of such materials is discussed.

Pharmaceutical Crystals

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ISBN: 9783039287123 / 9783039287130 Year: Pages: 148 DOI: 10.3390/books978-3-03928-713-0 Language: eng
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Science (General) --- Chemistry (General)
Added to DOAB on : 2020-06-09 16:38:57
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The crystalline state is the most commonly used essential solid active pharmaceutical ingredient (API). The characterization of pharmaceutical crystals encompasses many scientific disciplines, but the core is crystal structure analysis, which reveals the molecular structure of essential pharmaceutical compounds. Crystal structure analysis provides important structural information related to the API's wide range of physicochemical properties, such as solubility, stability, tablet performance, color, and hygroscopicity. This book entitled “Pharmaceutical Crystals"" focuses on the relationship between crystal structure and physicochemical properties. In particular, the new crystal structure of pharmaceutical compounds involving multi-component crystals, such as co-crystals, salts, and hydrates, and polymorph crystals are reported. Such crystal structures were investigated in the latest studies that combined morphology, spectroscopic, theoretical calculation, and thermal analysis with crystallographic study. This book highlights the importance of crystal structure information in many areas of pharmaceutical science and presents current trends in the structure–property study of pharmaceutical crystals. The Guest Editors of this book hope the readers enjoy a wide variety of recent studies on Pharmaceutical Crystals.

First-Principles Prediction of Structures and Properties in Crystals

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ISBN: 9783039216703 9783039216710 Year: Pages: 128 DOI: 10.3390/books978-3-03921-671-0 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Science (General) --- Chemistry (General)
Added to DOAB on : 2019-12-09 16:10:12
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The term “first-principles calculations” is a synonym for the numerical determination of the electronic structure of atoms, molecules, clusters, or materials from ‘first principles’, i.e., without any approximations to the underlying quantum-mechanical equations. Although numerous approximate approaches have been developed for small molecular systems since the late 1920s, it was not until the advent of the density functional theory (DFT) in the 1960s that accurate “first-principles” calculations could be conducted for crystalline materials. The rapid development of this method over the past two decades allowed it to evolve from an explanatory to a truly predictive tool. Yet, challenges remain: complex chemical compositions, variable external conditions (such as pressure), defects, or properties that rely on collective excitations—all represent computational and/or methodological bottlenecks. This Special Issue comprises a collection of papers that use DFT to tackle some of these challenges and thus highlight what can (and cannot yet) be achieved using first-principles calculations of crystals.

New Mineral Species and Their Crystal Structures

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ISBN: 9783038976882 Year: Pages: 204 DOI: 10.3390/books978-3-03897-689-9 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Science (General)
Added to DOAB on : 2019-04-05 11:07:22
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One last comment concerns the fundamental contributions of Fourier analysis to quantum physics: Quantum mechanics and quantum field theory.

Keywords

ariegilatite --- nabimusaite group --- new mineral --- crystal structure --- intercalated hexagonal antiperovskite --- CO3-group --- Raman --- pyrometamorphic rocks --- Hatrurim Complex --- tiberiobardiite --- chalcophyllite group --- copper --- silicate --- sulfate --- Cretaio --- Tuscany --- Italy --- oyonite --- lillianite homologous series --- sulfosalt --- copper --- antimony --- arsenic --- Oyon district --- Lima department --- Peru --- fiemmeite --- new oxalate mineral --- Val di Fiemme --- Trentino --- Italy --- sharyginite --- new mineral --- crystal structure --- Raman spectroscopy --- Bellerberg volcano --- Germany --- kurchatovite --- clinokurchatovite --- crystal structure --- borate --- polymorphism --- polytypism --- structural complexity --- structural combinatorics --- configurational entropy --- least-action principle --- barioferrite --- crystal structure --- single-crystal investigation --- Raman --- Hatrurim Complex --- Rusinovite --- Raman spectroscopy --- pyrometamorphism --- stacking faults --- Shadil-Khokh volcano --- Bellerberg volcano --- aurihydrargyrumite --- Au6Hg5 phase --- gold --- placer --- self-electrorefining --- Ehime --- Japan --- cerromojonite --- selenium --- copper --- lead --- mercury --- bismuth --- sou?ekite --- bournonite group --- El Dragón --- Bolivia --- nöggerathite-(Ce) --- new mineral --- zirconolite --- laachite --- sanidinite --- crystal structure --- alkaline volcanic rock --- Laacher See --- Eifel --- parafiniukite --- apatite supergroup --- hedyphane group --- manganese --- calcium --- phosphorus --- Szklary pegmatite --- Lower Silesia --- Poland --- thermaerogenite --- cuprospinel --- gahnite --- magnesioferrite --- CuAl2O4 --- CuFe2O4 --- copper oxide --- new mineral --- spinel supergroup --- fumarole sublimate --- Tolbachik volcano --- Kamchatka --- verneite --- new mineral --- crystal structure --- Hekla --- Vesuvius --- Eldfell --- aluminofluoride

Crystal Chemistry of Zinc, Cadmium and Mercury

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ISBN: 9783038976523 Year: Pages: 156 DOI: 10.3390/books978-3-03897-653-0 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Organic Chemistry --- Chemistry (General) --- Science (General)
Added to DOAB on : 2019-04-05 10:34:31
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This book is a printed edition of the Special Issue Crystal Chemistry of Zinc, Cadmium and Mercury that was published in Crystals

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