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Alloy Steel: Properties and Use First-Principles Quantum Mechanical Approach to Stainless Steel Alloys (Book chapter)

Authors: --- --- --- --- et al.
ISBN: 9789533074849 Year: DOI: 10.5772/26131 Language: English
Publisher: Intech Grant: FP7 Ideas: European Research Council - 228074
Subject: Science (General)
Added to DOAB on : 2019-01-17 11:47:57
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Accurate description of materials requires the most advanced atomic-scale techniques from both experimental and theoretical areas. In spite of the vast number of available techniques, however, the experimental study of the atomic-scale properties and phenomena even in simple solids is rather difficult. In steels the challenges become more complex due to the interplay between the structural, chemical and magnetic effects. On the other hand, advanced computational methods based on density functional theory ensure a proper platform for studying the fundamental properties of steel materials from first-principles. In 1980’s the first-principles description of the thermodynamic properties of elemental iron was still on the borderline of atomistic simulations. Today the numerous application- oriented activities at the industrial and academic sectors are paired by a rapidly increasing scientific interest. This is reflected by the number of publications on ab initio steel research, which has increased from null to about one thousand within the last two decades. Our research group has a well established position in developing and applying computational codes for steel related applications. Using our ab initio tools, we have presented an insight to the electronic and magnetic structure, and micromechanical properties of austenite and ferrite stainless steel alloys. In the present contribution, we review the most important developments within the ab initio quantum mechanics aided steel design with special emphasis on the role of magnetism on the fundamental properties of alloy steels.

Keywords

steel --- stainless steel

Anopheles mosquitoes

Authors:
ISBN: 9789535111887 Year: DOI: 10.5772/3392 Language: English
Publisher: Intech Grant: Wellcome Trust
Subject: Internal medicine
Added to DOAB on : 2019-01-17 11:47:01

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Anopheles mosquitoes are highly important insects due to their involvement in the transmission of human malaria and its devastating consequences in endemic countries worldwide. In 2010 alone, malaria was responsible for an estimated 660,000 deaths. As the study of Anopheles species and populations is a key element for reaching the goal of malaria elimination, an enormous amount of information has accumulated over the past century, and together in recent decades with the advent of novel technologies the acquisition of new knowledge has accelerated even further. The originality of this book is to offer the latest compilation on various research, new concepts, paradigms and innovative approaches for the control of anophelines using state-of-the-art methodologies and analysis. The 24 chapters, written by internationally recognized experts from 5 continents, cover the rich landscape for the understanding of Anopheles mosquitoes and the development of more effective weapons to control the vector of malaria.

Applications of Monte Carlo Simulation in Modelling of Biochemical Processes (Book chapter)

Authors: --- ---
ISBN: 9789533074276 Year: DOI: 10.5772/14984 Language: English
Publisher: Intech Grant: Wellcome Trust - 083174
Subject: Biology
Added to DOAB on : 2019-01-17 11:47:01
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The biochemical models describing complex and dynamic metabolic systems are typically multi-parametric and non-linear, thus the identification of their parameters requires nonlinear regression analysis of the experimental data. The stochastic nature of the experimental samples poses the necessity to estimate not only the values fitting best to the model, but also the distribution of the parameters, and to test statistical hypotheses about the values of these parameters. In such situations the application of analytical models for parameter distributions is totally inappropriate because their assumptions are not applicable for intrinsically non-linear regressions. That is why, Monte Carlo simulations are a powerful tool to model biochemical processes.

Aptamer-Nanoparticle Bioconjugates for Drug Delivery (Book chapter)

Authors: ---
ISBN: 9789535106159 Year: DOI: 10.5772/35188 Language: English
Publisher: Intech Grant: FP7 Ideas: European Research Council - 209842
Subject: Science (General)
Added to DOAB on : 2019-01-17 11:47:59
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Drug delivery systems traditionally relied on passive diffusion mechanisms for targeting and releasing of therapeutically active molecules. The major problems associated with traditional delivery are poor specificity and dose-limited toxicity. Nanoparticles have found applicability in the development of novel drug delivery systems by easily overcoming toxicity problem. However, specificity of delivery has remained as a challenge. Developments in the methods of reaching to targeted tissue have lead to new and improved drug delivery platforms. Recently, active targeting has been incorporated by cell specific ligands such as antibodies, lectins, growth factor receptors. More recently, aptamers gained popularity in construction of novel actively targeted drug delivery systems (Ozalp et al., 2011). Considerable proportions of aptamer-based delivery systems have been incorporated to a variety of nanomaterials in order to improve their specific targeting properties (Chen et al., 2011; Zhou et al., 2011).

Brain Tumors and the Lynch Syndrome (Book chapter)

Authors: ---
ISBN: 9789533076461 Year: DOI: 10.5772/21293 Language: English
Publisher: Intech Grant: FP7 Ideas: European Research Council - 232635
Subject: Science (General)
Added to DOAB on : 2019-01-17 11:47:59
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Lynch syndrome (LS) (MIM No. 120435-6), previously known as hereditary nonpolyposis colorectal cancer (HNPCC) (Boland, 2005), is an autosomal dominant disorder caused by germline mutation in one of the DNA mismatch repair (MMR) genes. LS is among the most prevalent cancer syndromes in man and is estimated to account for 1-6% of all colorectal cancers (Lynch & de la Chapelle, 2003).

Central Immune Senescence, Reversal Potentials (Book chapter)

Authors: ---
ISBN: 9789535101444 Year: Language: English
Publisher: Intech Grant: Wellcome Trust - 079415
Subject: Biology
Added to DOAB on : 2019-01-17 11:47:01
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Ageing is a complex process that affects all living organisms. Senescence is not only conceivable in multicellular organisms, but also in unicellulars. Unlike certain diseases that have specific morbidity rates, ageing is a physiological process that affects all individuals that live long enough (unaffected by i.e. predation or famine) to experience senescence.

Chapter 3 Optoelectronics and Bio Devices on Paper Powered by Solar Cells (Book chapter)

Authors: --- --- --- --- et al.
ISBN: 9789535129363 9789535129363 Year: Pages: 34 DOI: 10.5772/66695 Language: English
Publisher: Intech Grant: H2020 European Research Council - 640598
Subject: Linguistics --- Arts in general
Added to DOAB on : 2019-01-17 11:44:44
License: Intech

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The employment of printing techniques as cost-effective methods to fabricate low cost, flexible, disposable and sustainable solar cells is intimately dependent on the substrate properties and the adequate electronic devices to be powered by them. Among such devices, there is currently a growing interest in the development of user-oriented and multipurpose systems for intelligent packaging or on-site medical diagnostics, which would greatly benefit from printable solar cells as their energy source for autonomous operation. This chapter first describes and analyzes different types of cellulose-based substrates for flexible and cost effective optoelectronic and bio devices to be powered by printed solar cells. Cellulose is one of the most promising platforms for green recyclable electronics and it is fully compatible with large-scale printing techniques, although some critical requirements must be addressed. Paper substrates exist in many forms. From common office paper, to packaging cardboard used in the food industry, or nanoscale engineered cellulose (e.g. bacterial cellulose). However, it is the structure and content of paper that determines its end use. Secondly, proof-of-concept of optoelectronic and bio devices produced by inkjet printing are described and show the usefulness of solar cells as a power source or as a chemical reaction initiator for sensors.

Charge Carrier Dynamics in Organometal Halide Perovskite Probed by Time-Resolved Electrical Measurements (Book chapter)

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ISBN: 9789535122456 Year: DOI: 10.5772/61631 Language: English
Publisher: Intech Grant: FP7 Ideas: European Research Council - 226136
Subject: Science (General)
Added to DOAB on : 2019-01-17 11:48:00
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This chapter presents the fate of the charge carriers from the moment of its photogeneration in the perovskite to injection and transport into electrodes. Time-resolved electrical measurement techniques, terahertz (THz) spectroscopy and microwave (MW) conductivity, are primarily used to deconvolute ultrafast processes and to directly access behavior of charged species from the ps to µs timescales. Transient absorption and photoluminescence spectroscopy were also utilized to gain insight on carrier population dynamics and radiatively recombining charges. Photogenerated charged species were converted into highly mobile charges (µe = 12.5 cm2V-1s-1 and µh = 7.5 cm2V-1s-1) almost instantaneously (< 0.2 ps), while the remaining loosely bounded excitons dissociate into mobile charges after 2-3 ps. This high mobility is maintained for at least 1 ns as obtained by THz spectroscopy, while its lifetime is at least few tens of µs as measured by the MW conductivity technique. Lowering the temperature increases carrier mobilities with T-1.6.Dependence and a 75 meV barrier energy is required for temperature-activated recombination. Finally, injection of hole from MAPbI3 to Spiro-OMeTAD was found to be ultrafast and the state and population of dark holes dictate its recombination.

Computational Analysis and Integration of MeDIP-seq Methylome Data (Book chapter)

Authors: ---
ISBN: 9789535122401 Year: DOI: 10.5772/61207 Language: Undetermined
Publisher: Intech Grant: Wellcome Trust - 99148
Subject: Biology
Added to DOAB on : 2019-01-17 11:47:01
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The combinatorial number of possible methylomes in biological time and space is astronomical. Consequently, the computational analysis of methylomes needs to cater for a variety of data, throughput and resolution. Here, we review recent advances in 2nd generation sequencing (2GS) with a focus on the different methods used for the analysis of MeDIP-seq data. The challenges and opportunities presented by the integration of methylation data with other genomic data types are discussed as is the potential impact of emerging 3rd generation sequencing (3GS) based technologies on methylation analysis.

Keywords

sequencing --- biochemistry

Computational Modelling of the Steps Involved in Photodynamic Therapy (Book chapter)

Authors: ---
ISBN: 9789535104469 Year: DOI: 10.5772/37654 Language: English
Publisher: Intech Grant: FP7 Ideas: European Research Council - 258990
Subject: Science (General)
Added to DOAB on : 2019-01-17 11:47:59
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Photodynamic therapy (PDT) is a branch of phototherapy that has seen a surge of interest in the last few decades, due to its potential in the treatment of various cancers, infections and heart disease.(Bonnett, 2000) This chapter aims to give an overview of the various photochemical steps involved in PDT as a cancer therapy, and in particular the challenges and insight gained from their theoretical description. After a brief review of PDT in general, in a biological and chemical context, the photochemical steps involved will be discussed, detailing the computational techniques required to model these chemical pathways theoretically. We will detail the methodologies that can currently be applied, as well as their limitations of use at present, and areas requiring further development.

Listing 1 - 10 of 28 << page
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