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The evolution of DNA templated synthesis as a tool for materials discovery

The evolution of DNA templated synthesis as a tool for materials discovery

combinatorial product libraries, and to diversify the range of targets against which selection experiments are performed. DTS has developed to meet most of the requirements of a system for molecular evolution  but not all. The capacity for mutation and resynthesis is still missing from all published DTS systems: we believe that this is a priority for those working in the fi eld. Some of the most exciting possibilities for DTS lie in non- natural materials discovery. The current approach to materials chemistry can largely be characterized by “ make one, test one ” a material is made with a particular function in mind, it is tested, and then improvements are proposed based on the outcome. A DTS system capable of evolving molecules to meet challenges such as light harvesting or carbon sequestration would be truly revolutionary: this technology has the potential to usher in a new and exciting era of materials discovery.

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Materials Discovery by Crystal Growth: Synthesis, Structure Determination, Magnetic, and Optical Properties of Complex Lanthanide Containing Oxides, Oxyhydroxides, and Oxyfluorides

Materials Discovery by Crystal Growth: Synthesis, Structure Determination, Magnetic, and Optical Properties of Complex Lanthanide Containing Oxides, Oxyhydroxides, and Oxyfluorides

investigated. To this end, a method based on AFM was performed on a single tow of collagen fibrils isolated from collagenous materials, in order to quantify the Young’s modulus (van der Rijt et al., 2006; Yang et al., 2007), and the bending and shear moduli (Yang et al., 2008). Another method using nanoindentation by AFM was conducted on a single tow of collagen fibrils to acquire the reduced modulus, which provides new insights into the collagen structure. The yield stress and strain at failure of collagen fibrils from sea cucumber were obtained through uniaxial tensile testing (Shen et al., 2008). In the studies of individual collagen fibers, Kato et al. (Kato et al., 1989) performed tensile tests on collagen fibers from rat tail tendons to obtain the tensile strengths. Miyazaki and Hayashi (Miyazaki and Hayashi, 1999) acquired the modulus, tensile strength and strain at failure through uniaxial tensile tests of collagen fibers from rat tail tendons. Moreover, the modulus, tensile strength and strain at failure of collagen fascicles from the rabbit patellar tendon were quantified by tensile testing (Yamamoto et al., 1999). However, these studies do not provide all mechanical properties such as the modulus and adhesive strength of bundles of collagen fibers from arterial wall. Therefore, experimental and numerical studies of collagen fiber failure processes are required to characterize the arterial tissue failure mechanism.

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Materials Discovery by Crystal Growth: Synthesis, Structure Determination, Magnetic, and Optical Properties of Complex Lanthanide Containing Oxides, Oxyhydroxides, and Oxyfluorides

Materials Discovery by Crystal Growth: Synthesis, Structure Determination, Magnetic, and Optical Properties of Complex Lanthanide Containing Oxides, Oxyhydroxides, and Oxyfluorides

In the field of solid-state lighting (SSL), especially light-emitting diode (LED) technology, the current drive is to find new LED lighting technology that continues to decrease energy consumption while fixing the current LED limitations of low color rendering and high color temperature. 1.1-1.3 Many different approaches have been proposed, however, in this research, the focus has been on synthesizing new, more efficient phosphor coating materials that address the current limitations of LEDs while also decreasing costs to consumers. This chapter will explore the progress of solid-state lighting technology, why this research is focused on rare earth containing tetragen materials, and highlight new findings of dual purpose materials that both luminesce and strongly scintillate.

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Materials Discovery by Crystal Growth: Synthesis, Structure Determination, Magnetic, and Optical Properties of Complex Lanthanide Containing Oxides, Oxyhydroxides, and Oxyfluorides

Materials Discovery by Crystal Growth: Synthesis, Structure Determination, Magnetic, and Optical Properties of Complex Lanthanide Containing Oxides, Oxyhydroxides, and Oxyfluorides

professionals not try to aid this evolution by recognizing the significance of modern architecture and advocating for its preservation? In fact, many preservation organizations, like the ones mentioned in the introduction of this thesis, are doing just that. The field has a major opportunity to utilize mid-century modern architecture as a vehicle to make preservation more proactive. There is no reason why preservationists should not challenge the public’s perception of mid-century modern architecture by exploring the historical and architectural significance and impact that this movement had in twentieth- century America. Preservationists’ task is convincing the public that just because they personally do not approve of a building or style does not mean it is valueless. Do this before preservation is once again relegated to a reactionary role, fighting to save what buildings remain and wishing for buildings long gone. A more proactive approach within the field even provides the opportunity to initiate the preservation of properties before they have been radically altered. Thus, more buildings will retain original materials, historical fabric, and character that makes the preservation more authentic.

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Towards data driven magnetic materials discovery

Towards data driven magnetic materials discovery

The spiral is periodic in space, with the corresponding wavelength λ = 2π/|q|. Likewise, at a given point in space, the magnetic moment precesses around the same axis with frequency ω. Therefore, every spin-spiral is characterized by three parameters: the canting angle, θ, the precession frequency, ω, and the wavevector, q, which determines both the rate of magnetization precession with respect to the translation and the spin spiral direction. Since the magnitude of the local magnetic moment, |M |, remains constant, the spin-wave is related to the transverse susceptibility of the magnetization. Within the adiabatic approximation, where the precession of the magnetic moment can be considered slow compared to the electron hopping times, the electrons are considered to be in equilibrium with respect to the spin-spiral configuration. In this sense, the spin-spiral represents an instantaneous snapshot of a magnon propagating through the system, i.e. represents a “frozen-magnon”. The energy of a magnon depends on the wavevector q, which represents its momentum. It can be shown that at low energies the spin waves have a quadratic dispersion relation for ferromagnets (see Ch. 5 in Ref. [27]). The complexity involved in systems with many fermions makes the study of magnons, especially their dynamics, very demanding using an ab initio approach. It is therefore more common to employ effective spin Hamiltonians, like the Heiesnberg model and its extensions (discussed below), to capture the main features of the excited magnetic states in realistic materials. The electronic structrure calculations performed using SDFT make such a mapping, which reflects the properties of a real material, possible. At higher energies the longitudinal fluctuations, i.e. the Stoner excitations, become relevant and the spectrum of the excited states becomes more complex. In this case the spin-spiral picture is not sufficient any more to describe the material properties [93].

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Accelerated Computational Discovery of High-Performance Materials for Organic Photovoltaics by Means of Cheminformatics

Accelerated Computational Discovery of High-Performance Materials for Organic Photovoltaics by Means of Cheminformatics

“all the information resources that a scientist needs to optimize the properties of a ligand to become a drug.” 71 However, the tools developed in this field, and closely related techniques in machine learning and pattern recognition, can in principle be applied to other materials discovery endeavors. Developments in cheminformatics have been driven by the combination of experimental high-throughput screening (the assay and analysis of more than a million chemical reactions) and with the ability to computationally predict physicochemical parameters (called descriptors). The basic strategy of this approach is to obtain these descriptors for candidate molecules, often obtained from designated candidate libraries, 72–80 to score their

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Ab initio Structure Prediction Methods for Battery Materials103-118

Ab initio Structure Prediction Methods for Battery Materials103-118

There are multiple materials databases. Some contain only the experimental crystal structures and other relevant properties of known materials, while others contain the computed properties of both known and hypothetical materials. These can be leveraged to perform CSP. For example, known crystal structure prototypes can be decorated with any set of atomic species, resulting in new hypothetical materials. The stability and synthesisability of these new materials can then be assessed using DFT calculations and by comparing against thermochemical data in the database. Three of the major exhaustive databases of DFT calculations, the Open Quantum Materials Database (OQMD) (6), the Automatic Flow (AFLOW) framework for materials discovery (7) and the Materials Project (8) have been used to predict new materials and screen for desired properties using a combination of high-throughput ab initio calculations and, increasingly, statistical and machine learning approaches. In addition, experimentally identified structures are found in the Inorganic Crystal Structure Database (ICSD) (9) and the Crystallography Open Database (COD) (10). These databases have been used as a starting point for many theoretical studies, leading to several new discoveries in the field of energy storage, including identifying SrFeO 3-δ as a

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Discovery Of Network Nodes And Discrepancies

Discovery Of Network Nodes And Discrepancies

In this system we are providing Range based discovery, Individual discovery Device based discovery of network elements from which Device Based Discovery is absent in existing system. This will be advantageous if any new device has been added will get discovered at the time of Range Based Discovery and gets added in the main inventory. This will save lot of time will improve the efficiency of the system by reducing the efforts of manual entry. Our system also has options by which the user can perform the selection for updating the database either through automatic update functions or it can be done by user manually. Our system also provides the Individual Device Discovery by which the user can search any one specific standalone device by its IP address.

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Geological setting, geochemistry and genesis of
the Sepon gold and copper deposits, Laos

Geological setting, geochemistry and genesis of the Sepon gold and copper deposits, Laos

Gold mineralisation at both the DSM and DSE deposits is: (a) not visible, (b) inferred to be mainly micro-disseminated, (c) commonly associated with fine-grained pyrite ore types, and (d) occurs along permeable rheological contacts, in particular between the: (i) Discovery Formation calcareous shale and RDP sills, (ii) Discovery Formation calcareous shale and Nalou Formation dolomite, and (ii) faulted contacts between Discovery Formation calcareous shale and non-calcareous shale (Figs. 4.5.1 to 4.5.3). Minor base metals occurring as fracture fill and cross-cutting veins are present at the DSM deposit. Light green-yellow (iron-poor) sphalerite and minor galena were observed occurring in vughs and veins at DSM, especially in the basal sections of dolomitised Discovery Formation calcareous shale that directly overlies Nalou Formation bioclastic dolomite (Fig. 4.5.2). The fractured margins of a RDP sill intersected in drill hole DD94DIS012 at 60.2m depth contained small base metal veins (<1 cm wide) composed mainly of pyrite and quartz-carbonate with minor sphalerite and galena that show post-mineralisation offsets (Fig. 4.5.4). The presence of chalcopyrite associated with retrograde skarn mineralisation at DSE was also identified during 1994 in drill-hole DD94DIS023 that

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Discovery layers and discovery services

Discovery layers and discovery services

As electronic resources began to grow as a proportion of collections, traditional OPACs became more limited as a means of directing users to the resources they required. Federated search, searching across a number of discrete databases from a single interface, became popular around the millennium but was only partially suc- cessful. Cross-searching databases with differently structured metadata produced patchy and incomplete re- sults. Federated search may have been most useful in highlighting to the user which databases to search. Around 5 years ago, as libraries were finding that traditional OPACs were not able to guide users to non-print materials and articles, and that federated search was not a satisfactory solution, ‘web-scale’ discovery services began to emerge, built around unified indexes of licensed scholarly publications combined with metadata for the local catalogue and other local content, with a Google-like simple search box, and a consolidated, single result list. In the intervening years they have become increasingly popular, particularly with Higher Education libraries, where it is common to deploy a discovery service separate from the OPAC, and often from a different supplier to the library’s LMS. First to market was OCLC’s WorldCat Local in 2007, followed by Serials Solutions’ Sum- mon in 2009, and in 2010 EBSCO Discovery Service (EDS), Innovative Interfaces’ Encore Synergy and Ex Li- bris’ Primo Central. All are considered below.

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Study of Various Issues of Internet Protocol Version 6

Study of Various Issues of Internet Protocol Version 6

IPv6 includes a new protocol known as Neighbor Discovery [6] which achieves various tasks such as router discovery; address resolution (mapping IPv6 addresses with link-layer addresses), address auto configuration, neighbor unreachability detection, next-hop determination and host redirection. All messages introduced by Neighbor Discovery are Internet Control Message Protocol for the Internet Protocol Version 6 (ICMPv6 [6]) messages. Neighbor Discovery introduces a new address configuration procedure known as stateless address auto configuration mechanism [12]. A host may automatically configure a valid global IPv6 address upon receiving a Router Advertisement message that a local access router periodically broadcasts over an IPv6 link. A Router Advertisement generally provides the link prefix (es) for global address configuration in addition to the link-layer address of the local access router. Note that the IPv6 link-

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ADAPTIVE COLOR FILTER ARRAY INTERPOLATION ALGORITHM BASED ON HUE TRANSITION AND 
EDGE DIRECTION

ADAPTIVE COLOR FILTER ARRAY INTERPOLATION ALGORITHM BASED ON HUE TRANSITION AND EDGE DIRECTION

In [1], CPSs were used to find the frequent navigational paths. It also said that the items of SP need not require adjacent when the underlying ordering was preserved. This represents the more general navigational patterns inside a site. The discovery or analysis of navigation patterns becomes easier for the models when the transaction of web were represented as sequence of page view. One such model was Markov model, which represents the user’s navigational behavior and their activities in the web site. In this model the page views were denoted as states along with the probability to between two states. This expresses the likelihood of the user from one page to another page. From the state representation, number of useful users and site metrics can be manipulated. Markov model was used as the underlying model to determine the link prediction and web pre-fetching. The web pre-fetching was used to decrease the system latencies [4]. The objective of this model is to determine the user’s future action based on their prior browsing behavior. In [2] this model was used to find the high probability user navigation in web site. Following the previous work, [15] uses a mixture of Markov model to cluster the navigational sequences and perform exploratory

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WEB BLOG MINING SURVEY

WEB BLOG MINING SURVEY

Web Blogs—commonly described as blogs—are “frequently modified Web pages in which dated entries are listed in reverse chronological sequence”. Bloggers—the people who write them—use this venue to freely express their opinions and emotions, making blogs increasingly popular. Analyzing these personal entries could even provide opportunities for governments and companies to understand the public in a way that was previously costly or even unavailable. Although the blogosphere contains a lot of useful information, the data is noisy because blog entries are unstructured and might cover a wide variety of topics. By analyzing the freely expressed opinions of bloggers via blog mining, marketers, for example, can get closer to customers and learn more about their opinions on certain products, companies, or political issues. However, because so many blogs exist, manually monitoring and analyzing them is a labor- intensive and time-consuming task. In addition, we can apply knowledge discovery algorithms to determine why such topics are popular and categorize them according

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Plant Discovery from Leaf

Plant Discovery from Leaf

Plants plays a pertinent role to human welfare because they are the root of clothing, medicines, food, housing materials and more. Back in the day, plant identification was the main domain of taxonomists, botanists and even ordinary people who used to identify the plants for which they search about, by comparing them with previously collected specimens or by using books or web surfing. Computers have evolved to be a vital device in many applications like agriculture, medical, defense, engineering and so forth. It has the ability to process multimedia information captured from computing devices. An image consists of important information that are retrieved using some computational method. Image segmentation partitions an image into smaller portions that are meaningful. In other words it can be stated as identification and classification of region needed. The segmentation is performed based on some common features .

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Discovery and functionalisation of microporous materials

Discovery and functionalisation of microporous materials

Earlier in this thesis, the reduction and subsequent decoration of cages was described (Chapter 4). Both reduced cages themselves (containing secondary amine groups) and decorated cages (containing bromine groups and to a lesser extent, arene groups) possessed chemical functionality, giving rise to opportunities for further reactions. As the cages already contained a predefined pore (albeit in an ideal crystalline state), it was hypothesised that the presence of this pore could lead to increased surface areas upon successful polymerisation. There has already been recent progress in this area within the literature, with Jin et al. successfully polymerising their [2+3] bromine functionalised cages via Sonogashira coupling. 1 This produced materials with low overall gas uptakes, but high selectivity towards CO 2 (213/1 over N 2 ). 2

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Direct observation of polar tweed in LaAlO3

Direct observation of polar tweed in LaAlO3

no incipient ferroelectric instability we have shown that polar tweed exist even in purely ferroelastic materials. This result may possibly be generalized: (almost) all ferroelastic perovskite materials may be polar in their tweed state. If this hypothesis is true, we may ask why has such polar tweed not been observed before? As we show in this paper, the amplitude of polarity is very small in LaAlO 3 and the effect may simply have been missed in other

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Genetically Optimized Multiple ANFIS Based Discovery and Optimization of Catalytic Materials

Genetically Optimized Multiple ANFIS Based Discovery and Optimization of Catalytic Materials

ABSTRACT: A soft computing technique based on the combination of Multiple Adaptive Neuro-Fuzzy Inference System (M-ANFIS) and a Genetic Algorithm (GA) has been developed for the discovery and optimization of new materials when exploring a high-dimensional space. This technique allows the experimental design in the search of new solid materials with high catalytic performance when exploring simultaneously a large number of variables such as elemental composition, manufacture procedure variables, etc. This integrated architecture (M-ANFIS+GA) allows one to strongly increase the convergence performance when compared with the performance of conventional GAs. It is described how both soft-computing techniques are built to work together. The proposed optimization architecture has been validated using two hypothetical functions, based on the modeled behavior of multi-component catalysts explored in the field of combinatorial catalysis.

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The Discovery of Novel Materials for the Electrocatalytic Reduction of Carbon Dioxide

The Discovery of Novel Materials for the Electrocatalytic Reduction of Carbon Dioxide

Generally, aqueous solutions of the target metal salts were generated by dissolving water soluble salts that contained easily decomposed anions. Mostly metal nitrates were used except where solubility or availability limited their application. In these rare cases other salts such as sulfates were used. Solutions were mixed to appropriate ratios at ~ 0.1 M. A cartoon representation of this is shown in Figure 2-1. While the rough morphology of films produced using this method was less than desirable, the ease and adaptability of this synthetic process made it an attractive option. Films made by this technique were also characterized by scanning electron microscopy (SEM) and X-ray diffraction (XRD), to confirm the desired phase was obtained. Occasionally, phase pure materials were not obtained and changes to the annealing conditions or ratios of metal salts were tuned. Generally speaking, higher annealing temperatures gave more phase pure materials. Intermetallic Nanoparticle Synthesized by Solvothermal Methods

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Using materials from the history of mathematics in discovery-based learning

Using materials from the history of mathematics in discovery-based learning

When solution is carried out at the process of learning, in other words, a student reveals for himself/herself properties, which were discovered in mathematics long before, he/she thinks of them as a pioneer. It’s one of the key points in this method of teaching. However, in any teaching process students need textbooks. Of course, any textbooks will depend on the methods of teaching that are applied to, but we would like to point out that any textbook on mathematics designed for a student having an inquiring mind, is usually oriented towards lengthy usage. It is presupposed that a student studies the content of such books, various properties and theorems with pencil and paper, as they used to write in prefaces to many textbooks on mathematics as early as twenty and more years ago. The same is true for the problems suggested for students’ work on their own. However, it is necessary to note that content of the overwhelming majority of textbooks are composed in such a way that the student obtains “ready-made” statements of various properties in the form of already proved theorems or problems for independent solving. By all means, in mathematics education it remains a very difficult task to compile a textbook in a way that students might independently come to discovery of a certain property, i.e. statement of any property wouldn’t be necessarily present in a clear form as a problem. However, use of teaching methods aimed on the stimulating students’ research activities in practice (in particular, geometry) is not unique. This is greatly facilitated by the use of ICT and dynamic geometry software (Elsom-Cook, 1990; Mariotti et al., 1997; Arzarello et al., 1998; Furinghetti, Olivero & Paola, 2001). Santos et al. (2003, p.120) note that

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Discovery of novel materials with broad resistance to bacterial attachment using combinatorial polymer microarrays

Discovery of novel materials with broad resistance to bacterial attachment using combinatorial polymer microarrays

generation array was used to screen for synergistic effects caused by mixing the hit monomers since we have previ- ously observed cases where a copolymer exhibited a biological performance that exceeds the performance of the respective Figure 1 . a) Schematic of the strategy applied to microarray formation. Initial arrays included a greater combinatorial space whilst latter arrays increased the compositional resolution at which the combinatorial space was explored. i) The 1st generation array consisted of 116 homopolymers, 18 of which were selected as “hits”. ii) The 2nd generation array consisted of 324 copolymers, formed by mixing 18 “hit” monomers pairwise. iii) The 3rd generation array explored 13 “hit” compositions from the 2nd generation array by incremental compositional variations. iv) The lead compositions from the 3rd generation were selected for scale-up and additional testing. b) Results from applying the microarray strategy. i) Chemical structures of hit monomers selected from the 1st generation array. ii) Intensity scale image of í/% for each of the materials in the second generation array, according to the scale given on the right. The scale is non-linear to highlight the range of the array. The materials were composed of two monomers mixed at a 2:1 ratio. The monomer used as the major or minor component is indicated across the fi rst row or column respectively, and corresponds to the monomers in (i). The central square is the í, whilst the narrow columns to the left or right indicate ± one standard deviation unit, n = 3. iii) Intensity scale image of í/% for each of the materials in the third generation array, according to the scale given on the right. The scale is non-linear to highlight the range of the array. The monomers used are indicated to the left and right of the intensity scale, and refer to the monomers shown in (i). The content% of the monomers listed on the left is indicated in the top row. The central square is the í, whilst the narrow columns to the left and right indicate ± one standard deviation unit, n = 4. The controls were homopolymers of monomers A and B, which exhibited high bacterial attachment in the fi rst generation array screen.

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