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Process Simulation of Technical Precipitation Processes - The Influence of Mixing

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ISBN: 9783731507352 Year: Pages: XXIII, 209 p. DOI: 10.5445/KSP/1000076187 Language: ENGLISH
Publisher: KIT Scientific Publishing
Subject: Chemical Engineering
Added to DOAB on : 2019-07-28 18:37:01
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This work develops and shows up methods to tackle multi-scale challenges in particle formation during precipitation crystallization. Firstly, molecular, micro- and meso-scale interactions in confined impinging jet mixers are investigated and simulatively predicted. Secondly, to build up on developed methods, macroscale as present for instance in stirred tank reactors is added to the considerations.

Speicherbedarf und dessen Auswirkungen auf die Energiewirtschaft bei Umsetzung der politischen Ziele zur Energiewende

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Book Series: Produktion und Energie / Karlsruher Institut für Technologie, Institut für Industriebetriebslehre und industrielle Produktion u. Deutsch-Französisches Institut für Umweltforschung ISSN: 21942404 ISBN: 9783731503415 Year: Volume: 9 Pages: XVI, 242 p. DOI: 10.5445/KSP/1000045528 Language: GERMAN
Publisher: KIT Scientific Publishing
Subject: Business and Management
Added to DOAB on : 2019-07-30 20:01:57
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Increasing integration of renewable energy sources is transforming the current powergeneration structure. This challenges policy makers, system operators, and also established energy system simulation tools. We developed a dynamic bottom-up model of the German electricity market to analyze the effects of high-resolution wind energy generation.

Advances in Computer Simulation Studies on Crystal Growth

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ISBN: 9783038973560 9783038973577 Year: Pages: 206 DOI: 10.3390/books978-3-03897-357-7 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Chemistry (General)
Added to DOAB on : 2018-11-16 11:51:21
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Crystals are indispensable in technology, nature, and our daily lives. For example, cooking uses many kinds of crystallized products, such as salt, sugar, and fat crystals; electronic devices contain semiconductor crystals; living organisms produce mineral crystals to maintain biological processes; and snow and ice crystals play a crucial role in climate change. For these and other topics related to crystals, an especially important area of research is crystal growth. Computer simulations of crystal growth have become increasingly important as a result of rapid increases in available computing power. Computer simulations can analyze and predict various aspects of crystal growth, including molecular-scale growth and nucleation mechanisms, the structure and dynamics of surfaces and interfaces, and pattern formation. This book presents state-of-the-art research and reviews of computer simulation studies on crystal growth for hard-sphere particles, organic molecules, ice, and functional materials. The studies use a variety of simulation methodologies, including molecular simulations, first-principles simulations, continuum simulations, and multiscale simulations. This book will interest graduate students and researchers in crystal growth science and technology and will provide a helpful reference for scientists who want to familiarize themselves with computer simulations of crystal growth.

Molecular Modeling in Drug Design

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ISBN: 9783038976141 Year: Pages: 220 DOI: 10.3390/books978-3-03897-615-8 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: 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 Molecular Modeling in Drug Design that was published in Molecules

Keywords

hyperlipidemia --- squalene synthase (SQS) --- molecular modeling --- drug discovery --- Traditional Chinese Medicine --- molecular dynamics simulation --- biophenols --- natural compounds --- amyloid fibrils --- Alzheimer’s disease --- ligand–protofiber interactions --- adhesion --- FimH --- rational drug design --- molecular dynamics --- molecular docking --- ligand binding --- EphA2-ephrin A1 --- PPI inhibition --- interaction energy --- in silico screening --- adenosine --- boron cluster --- adenosine receptors --- AR ligands --- aggregation --- promiscuous mechanism --- human ecto-5?-nucleotidase --- virtual screening --- enzymatic assays --- turbidimetry --- dynamic light scattering --- docking --- solvent effect --- binding affinity --- scoring function --- molecular dynamics --- target-focused pharmacophore modeling --- density-based clustering --- structure-based drug design --- AutoGrid --- grid maps --- probe energies --- method development --- steered molecular dynamics --- all-atom molecular dynamics simulation --- resultant dipole moment --- mechanical stability --- protein-peptide interactions --- molecular dynamics --- proteins --- molecular recognition --- protein protein interactions --- artificial intelligence --- deep learning --- neural networks --- property prediction --- quantitative structure-activity relationship (QSAR) --- quantitative structure-property prediction (QSPR) --- de novo design --- adenosine receptor --- metadynamics --- extracellular loops --- allosterism --- molecular dynamics --- cosolvent molecular dynamics --- drug design --- fragment screening --- docking

Computational Methods of Multi-Physics Problems

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ISBN: 9783039214174 9783039214181 Year: Pages: 128 DOI: 10.3390/books978-3-03921-418-1 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Technology (General) --- General and Civil Engineering
Added to DOAB on : 2019-12-09 11:49:15
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This book offers a collection of six papers addressing problems associated with the computational modeling of multi-field problems. Some of the proposed contributions present novel computational techniques, while other topics focus on applying state-of-the-art techniques in order to solve coupled problems in various areas including the prediction of material failure during the lithiation process, which is of major importance in batteries; efficient models for flexoelectricity, which require higher-order continuity; the prediction of composite pipes under thermomechanical conditions; material failure in rock; and computational materials design. The latter exploits nano-scale modeling in order to predict various material properties for two-dimensional materials with applications in, for example, semiconductors. In summary, this book provides a good overview of the computational modeling of different multi-field problems.

Modeling and Experimental Characterization of Nanocomposite Materials

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ISBN: 9783039286324 / 9783039286331 Year: Pages: 130 DOI: 10.3390/books978-3-03928-633-1 Language: eng
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Technology (General) --- General and Civil Engineering
Added to DOAB on : 2020-06-09 16:38:57
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This Special Issue gathers research from different branches of science and engineering disciplines working on experiments and modelling of nanocomposites into one volume. The Guest Editor welcomes papers dedicated to experimental, computational, and theoretical aspects dealing with many important state-of-the-art technologies and methodologies regarding the synthesis, fabrication, characterization, properties, design, and applications, and both finite element analysis and molecular dynamic simulations, of nanocomposite materials and structures. Full papers covering novel topics, extending the frontiers of the science and technology of nanoreinforced composites are encouraged. Reviews covering topics of major interest will be also considered.

Recent Progress in Solid Dispersion Technology

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ISBN: 9783039215010 9783039215027 Year: Pages: 204 DOI: 10.3390/books978-3-03921-502-7 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Science (General) --- Biology
Added to DOAB on : 2019-12-09 11:49:15
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Amorphous solid dispersion (ASD) is a powerful formulation technology to improve oral absorption of poorly soluble drugs. Despite their being in existence for more than half a century, controlling ASD performance is still regarded as difficult because of ASD’s natural non-equilibrium. However, recent significant advances in ASD knowledge and technology may enable a much broader use of ASD technology. This Special Issue, which includes 3 reviews and 6 original articles, focuses on recent progresses in ASD technology in hopes of helping to accelerate developmental studies in the pharmaceutical industry. In striving for a deep understanding of ASD non-equilibrium behavior, the Special issue also delves into and makes progress in the theory of soft-matter dynamics.

Emerging Marine Biotoxins

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ISBN: 9783039215133 9783039213498 Year: Pages: 206 DOI: 10.3390/books978-3-03921-349-8 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Science (General) --- Biology
Added to DOAB on : 2019-12-09 11:49:15
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The emergence of marine and freshwater toxins in geographical areas where they have never been reported before is a concern due to the considerable impact on (sea)food contamination, and consequently, on public health. Several groups of marine biotoxins, in particular tetrodotoxins, ciguatoxins, and palytoxins, are included among the relevant marine biotoxins that have recently emerged in several coastal areas. A similar situation has been observed in freshwater, where cyanobacterial toxins, such as microcystins, could end up in unexpected areas such as the estuaries where shellfish are cultivated. Climate change and the increased availability of nutrients have been considered as the key factors in the expansion of all of these toxins into new areas; however, this could also be due to more intense biological invasions, more sensitive analytical methods, or perhaps even an increased scientific interest in these natural contaminations. The incidences of human intoxications due to the consumption of seafood contaminated with these toxins have made their study an important task to accomplish in order to protect human health. This Special Issue has a focus on a wide variety of emerging biotoxin classes and techniques to identify and quantify them.

MEMS Sensors and Resonators

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ISBN: 9783039288656 / 9783039288663 Year: Pages: 164 DOI: 10.3390/books978-3-03928-866-3 Language: eng
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Technology (General) --- General and Civil Engineering
Added to DOAB on : 2020-06-09 16:38:57
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Microelectromechanical systems (MEMS) have had a profound impact on a wide range of applications. The degree of miniaturization made possible by MEMS technology has significantly improved the functionalities of many systems, and the performance of MEMS has steadily improved as its uses augment. Notably, MEMS sensors have been prevalent in motion sensing applications for decades, and the sensing mechanisms leveraged by MEMS have been continuously extended to applications spanning the detection of gases, magnetic fields, electromagnetic radiation, and more. In parallel, MEMS resonators have become an emerging field of MEMS and affected subfields such as electronic timing and filtering, and energy harvesting. They have, in addition, enabled a wide range of resonant sensors. For many years now, MEMS have been the basis of various industrial successes, often building on novel academic research. Accordingly, this Special Issue explores many research innovations in MEMS sensors and resonators, from biomedical applications to energy harvesting, gas sensing, resonant sensing, and timing.

Major Histocompatibility Complex (MHC) in Health and Disease

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ISBN: 9783039280728 9783039280735 Year: Pages: 375 DOI: 10.3390/books978-3-03928-073-5 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Science (General) --- Biology
Added to DOAB on : 2020-04-07 23:07:08
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The major histocompatibility complex (MHC) is a highly polymorphic and diverse multigene locus in all jawed vertebrate species that has an integral role in adaptive/innate immune systems, transplantation, and infectious and autoimmune diseases. The MHC supra-locus in mammalian vertebrates is usually partitioned into three distinct regions, known as classes I, II, and III, which, to varying extents, can be found conserved in nonmammalian jawed vertebrates, such as bony fish, amphibians, and bird lineages. The MHC gene region is characterized particularly by the expression of class I and class II glycoproteins that bind peptides derived from intracellular or extracellular antigens to circulating T-cells. While this expressed antigenic specificity remains the predominant interest with respect to MHC function and polymorphism in a population, a broader concept has emerged that examines the MHC as a multifunctional polymorphic controller that facilitates and regulates genome diversity with a much greater array of functions and effects than just MHC-restricted antigen recognition. This volume of 19 reprints presented by various experts and collected from the Special Issue of Cells on “MHC in Health and Disease” covers a broad range of topics on the genomic diversity of the MHC regulatory system in various vertebrate species, including MHC class I, II, and III genes; innate and adaptive immunity; neurology; transplantation; haplotypes; infectious and autoimmune diseases; fecundity; conservation; allelic lineages; and evolution. Taken together, these articles demonstrate the immense complexity and diversity of the MHC structure and function within and between different vertebrate species.

Keywords

MHC-I- and MHC-II-dependent inter-individual recognition --- MHC-II-associated sperm-egg recognition --- MHC-I-based mother-fetus recognition --- giant panda --- long-fragment super haplotype --- MHC --- genetic drift --- haplotype --- crested ibis --- founder effect --- bottleneck --- conservation genetics --- selection --- fish --- MHC --- polymorphism --- disease resistance --- quantitative trait loci (QTL) studies --- evolution --- HCP5 --- lncRNA --- MHC --- HLA --- human endogenous retrovirus (HERV) --- cancer --- autoimmune diseases --- competing endogenous RNA (ceRNA) --- human immunodeficiency virus (HIV) --- human papillomavirus (HPV) --- astrogliosis --- PNS/CNS interface --- microglial reaction --- synaptic covering --- ?2m knockout mice --- HLA-B27 --- viral peptides --- computational analysis --- ankylosing spondylitis --- KIR --- KIR–HLA pairs --- ethnic populations in China --- molecular dynamics simulation --- major histocompatibility complex --- antigen --- T-cell receptor --- domain movements --- autoimmunity --- risk genes --- expression --- regulation --- swine leukocyte antigen --- reproductive performance --- production trait --- haplotype --- micro-mini-pigs --- disease association --- haplotype --- HLA polymorphism --- major histocompatibility complex (MHC) --- pedigree --- phase --- protocol --- single nucleotide polymorphism (SNP) --- T1DGC --- type 1 diabetes (T1D) --- BK virus --- polyomavirus --- nephropathy --- human leukocyte antigen-E --- kidney transplantation --- MHC --- ancestral haplotype --- autoimmune disease --- cynomolgus macaque --- Macaca fascicularis --- MHC polymorphism --- experimental medicine --- nonhuman primate models --- DXO --- DOM3Z --- NELF-E --- RD --- SKIV2L --- SKI2W --- STK19 --- RP1 --- NSDK --- RLR --- miR1236 --- SVA --- RNA quality control --- 5??3? RNA decay --- 3??5? mRNA turnover --- antiviral immunity --- interferon ? --- promoter-proximal transcriptional pause --- exosomes --- nuclear kinase --- hepatocellular carcinoma --- Ski complex --- trichohepatoenteric syndrome --- melanoma --- major histocompatibility complex --- MHC --- evolution --- nonclassical --- fish --- MHC genes --- birds --- disease resistance --- orthology --- life history --- gene duplication --- long-read sequencing --- high-throughput sequencing --- concerted evolution --- ecology --- MHC --- major histocompatibility complex --- Old World camels --- camels --- dromedary --- Bactrian camel --- SNP --- n/a

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