bluuebunny/crossref_metadata_2025 huggingface dataset:
Cucurbiturils, Synthesis and Applications
Authors: Mohanty Jyotirmayee
Published: June 2015

The research on the chemistry of host–guest complexes based on noncovalent interactions involving a macrocyclic host and a guest has seen an upsurge in recent years due to their potential application in metal ion separation, molecular sensors, catalysis, nanomaterials and therapeutics, and other stimuli‐responsive systems. This article provides a brief account of a relatively new class of macrocyclic hosts, cucurbit[
n
]uril (CB
n
), their molecular recognition properties with several important guest molecules, and their applications. Along with various synthetic approaches, an environmental friendly (
green
) method to isolate CB
n
homologues (CB[5–8]) by utilizing imidazolium salts has also been discussed. The noncovalent host–guest assemblies with cucurbiturils bring out a remarkable modulation of the physicochemical properties of the guest molecules such as solubility, stability, aggregation behavior, acidity constants, antibacterial activity, and cytotoxicity. Efforts have also been made to give specific examples of cucurbituril‐encapsulated guest assemblies and discuss their potential applications toward controlled uptake and release of drugs, construction of photofunctional devices, aqueous‐based dye lasers, molecular architectures, gas sensors, stimuli‐responsive hydrogel, chemoselective photoreactions, biological catalytic activity, and inhibition of amyloid fibrillation.
Conducting Polymers: Polyaniline
Authors: Stejskal Jaroslav , Trchová Miroslava , Bober Patrycja , Humpolíček Petr , Kašpárková Věra , Sapurina Irina , Shishov Mikhail A. , Varga Martin
Published: June 2015

Polyaniline is an organic semiconductor. It is prepared by the oxidative chemical or electrochemical oxidations of aniline in acidic aqueous media. The course of the oxidation can be followed by monitoring changes in temperature or pH. Depending on acidity conditions, polyaniline has globular, nanofibrilar, or nanotubular morphology. Polyaniline may also be obtained as thin films, coatings, or as colloidal dispersions. The conducting polyaniline salt convers to nonconducting polyaniline base under alkaline conditions. Its reprotonation by various acids offers a route for preparation of polyanilines with various properties. These processes are reflected in UV–vis, FTIR, and Raman spectra. The mechanism of conduction is based on the presence of delocalized polarons and protons. Polyaniline exhibits both the electronic and ionic conductivity. The stability of polyaniline at elevated temperature and in aggressive media is good. Polyaniline is converted to nitrogen‐containing carbon in inert atmosphere at 600°C. Biological properties and antimicrobial activity of polyaniline are outlined. The applications of polyaniline in batteries, corrosion protection, fuel cells, sensors, and supercapacitors are briefly reviewed.
Bathymetrically controlled velocity‐shear front at a tidal river confluence
Authors: Blain Cheryl Ann , Mied Richard P. , McKay Paul , Chen Wei , Rhea W. Joseph
Published: June 2015

Nonbuoyant front formation at the confluence of Nanjemoy Creek and the main Potomac River (MD) channel is examined. Terra satellite ASTER imagery reveals a sediment color front emerging from Nanjemoy Creek when the Potomac is near maximum ebb. Nearly contemporaneous ASTER and Landsat ETM+ imagery are used to extract surface velocities, which suggest a velocity shear front is collocated with the color front. In situ velocities (measured by RiverRay traverses near the Nanjemoy Creek mouth) confirm the shear front's presence. A finite‐element simulation (using ADCIRC) replicates the observed velocity‐shear front and is applied to decipher its physics. Three results emerge: (1) the velocity‐shear front forms, confined to a shoal downstream of the creek‐river confluence for most of the tidal cycle, (2) a simulation with a flat bottom in Nanjemoy Creek and Potomac River (i.e., no bathymetry variation) indicates the velocity‐shear front never forms, hence the front cannot exist without the bathymetry, and (3) an additional simulation with a blocked‐off Creek entrance demonstrates that while the magnitude of the velocity shear is largely unchanged without the creek, shear front formation is delayed in time. Without the Creek, there is no advection of the M6 tidal constituent (generated by nonlinear interaction of the flow with bottom friction) onto the shoals, only a locally generated contribution. A tidal phase difference between Nanjemoy and Potomac causes the ebbing Nanjemoy Creek waters to intrude into the Potomac as far south as its deep channel, and draw from a similar location in the Potomac during Nanjemoy flood.
Delineation of connectivity structures in 2‐D heterogeneous hydraulic conductivity fields
Authors: Tyukhova Alina R. , Kinzelbach Wolfgang , Willmann Matthias
Published: June 2015

Connectivity is a critical aquifer property controlling anomalous transport behavior at large scales. But connectivity cannot be easily defined in a continuous field based on information of the hydraulic conductivity alone. We conceptualize it as a connecting structure—a connected subset of a continuous hydraulic conductivity field that consists of paths of least hydraulic resistance. We develop a simple and robust numerical method to delineate the connectivity structure using information of the hydraulic conductivity field only. First, the topology of the connectivity structure is determined by finding the path(s) of least resistance between two opposite boundaries. And second, a series of connectivity structures are created by inflating and shrinking the individual channels. Finally, we apply this methodology to different heterogeneous fields. We show that our method captures the main flow channels as well as the pathways of early time solute arrivals. We find our method informative to study connectivity in 2‐D heterogeneous hydraulic conductivity fields.
Automatic earthquake confirmation for early warning system
Authors: Kuyuk H. S. , Colombelli S. , Zollo A. , Allen R. M. , Erdik M. O.
Published: June 2015

Earthquake early warning studies are shifting real‐time seismology in earthquake science. They provide methods to rapidly assess earthquakes to predict damaging ground shaking. Preventing false alarms from these systems is key. Here we developed a simple, robust algorithm, Authorizing GRound shaking for Earthquake Early warning Systems (AGREEs), to reduce falsely issued alarms. This is a network threshold‐based algorithm, which differs from existing approaches based on apparent velocity of P and S waves. AGREEs is designed to function as an external module to support existing earthquake early warning systems (EEWSs) and filters out the false events, by evaluating actual shaking near the epicenter. Our retrospective analyses of the 2009 L'Aquila and 2012 Emilia earthquakes show that AGREEs could help an EEWS by confirming the epicentral intensity. Furthermore, AGREEs is able to effectively identify three false events due to a storm, a teleseismic earthquake, and broken sensors in Irpinia Seismic Network, Italy.
Preliminary December–January inflow and streamflow reconstructions from tree rings for western Tasmania, southeastern Australia
Authors: Allen K. J. , Nichols S. C. , Evans R. , Cook E. R. , Allie S. , Carson G. , Ling F. , Baker P. J.
Published: June 2015

Projected decreases and changes in the seasonal distribution of precipitation will have profound impacts on southeastern Australia, including its ability to generate renewable hydroelectricity. Recent decreases in precipitation over the region may be significant in the context of instrumental records, but the question of whether these decreases are within long‐term natural variability remains. To help address this issue, we present December–January streamflow and dam inflow reconstructions for southeastern Australia. These reconstructions for the Tasmanian west coast are based solely on local tree ring chronologies and span up to 1600 years. Nonparametric estimates, however, indicate good model skill for the last 458 years (streamflow) and 478 years (dam inflow). The reconstructions indicate that twentieth century conditions were well within the range of historical variability, and were in fact relatively wet. The period from approximately 1600 to 1750 CE was one of the enhanced variability and a high proportion of low and high flow events occurred in the seventeenth century. There are significant relationships between streamflow and inflow reconstructions and large‐scale ocean‐atmosphere processes such as ENSO and the Southern Annular Mode. Critically, our two reconstructions rely heavily on new tree ring chronologies based on properties such as tracheid radial diameter, cell wall thickness, and density, underscoring the importance of these different types of chronologies in reconstructions.
Organic Analysis in Environmental Samples by Capillary Electrophoresis
Authors: Castro‐Puyana María , Luisa Marina M.
Published: June 2015

Capillary electrophoresis (CE) is presented as an efficient and potent alternative to other chromatographic techniques, such as liquid chromatography (LC) or gas chromatography (GC), to analyze organic pollutants in environmental samples. Despite the insufficient sensitivity associated with the use of CE with optical detection, the latest developments on the use of alternative detection systems and/or sample preconcentration techniques together with its efficiency and versatility have demonstrated the potential of CE to face the determination of pollutants at trace levels. Other interesting characteristics of CE in the field of environmental analysis include its enormous possibilities to achieve stereoselective analysis of chiral compounds and the low amount of reagents needed (green analytical technique). Nowadays, a large number of research works have been published dealing with the use of CE as a powerful technique for pollutants analysis. This article presents the fundamentals of CE techniques as well as the main developments and applications performed in environmental analysis during the past 10 years. The CE determination of a large variety of organic pollutants, including pesticides, phenols, pharmaceuticals, nitroaromatic compounds, amines, and so on, is described.
Analytical Perspectives on the Use of Dried Blood Spots and Mass Spectrometry in Newborn Screening
Authors: Chace Donald H. , De Jesús Víctor R. , Haynes Christopher A.
Published: June 2015

Newborn screening is a public health program that aims to detect genetic disorders shortly after birth so that diagnosis and treatment can be provided early and therefore provides the best possible outcome for affected infants. Dried blood spots are a unique specimen that is utilized by all laboratory‐based methods in newborn screening. The volume of blood available for each test is less than 10 μL and therefore requires microsampling analytical techniques. The concentration of metabolites obtained from a dried blood spot ranges from a few hundred micromolar for some amino acids to femtomolar for hormones such as thyroxine. Tandem mass spectrometry is uniquely suited to sensitively and selectively detect many metabolites of different chemical classes using a single analytical method (amino acids, l‐carnitine and fatty acylcarnitines, and succinylacetone). Metabolic profiles of these metabolites provide both quantitative and qualitative information that helps detect the largest number of disorders in a newborn screening panel with fewer false results than many historic technologies it has replaced. Mass spectrometry is also a versatile tool that confirms diseases detected by other screening methods and will continue to expand.
Electroanalytical Methods Based on Hybrid Nanomaterials
Authors: Yáñez‐Sedeño Paloma , Villalonga Reynaldo , Pingarrón José M.
Published: June 2015

Hybrid nanomaterials, defined as an intentional combination of at least a nanomaterial with one or more materials, at an atomic or a nanometer level of mixture, complementing each other to have new or improved functions and properties which component materials did not possess, provide new possibilities for electroanalytical methods The relevant functional properties of nanomaterials can be tuned, in an unimaginable manner, by rational combination with other materials. This fact opens an exciting door for sensor and biosensor technology, which is well supported by the advances in other areas such as surface science, organic and inorganic synthesis, polymer and biomolecular chemistry, and nanotechnology. This article provides a general sight state of the art on the use of nanosized hybrid materials as transduction, amplification, and labeling elements for the establishment of original electrochemical methods of analysis, exemplified with some of the most relevant research published in the past 5 years. The article is divided into two main categories: (i) electrochemical sensors based on hybrid nanomaterials of inorganic–organic, inorganic–inorganic, and organic–organic composition hybrid nanomaterials; (ii) electrochemical biosensors making use of metal nanostructures, carbon nanomaterials, metal and nonmetal oxide nanomaterials, and soft‐nanomaterials hybrids.
Structured Materials for Sensing Applications
Authors: Zhang Qiang M. , Islam Molla R. , Li Xue , Xu Wenwen , Gao Yongfeng , Wei Menglian , Ahiabu Andrews , Hyson Kimberly , Serpe Michael J.
Published: June 2015

Sensing of small molecules, macromolecules, and biomolecules is of utmost importance for protecting human health and ensuring our well‐being. Therefore, a tremendous amount of research goes into the development of novel sensing motifs with increased sensitivity and selectivity to analytes, with very short analysis times, and ease of usability. Of these technologies, photonic materials receive a lot of attention. Perhaps most interesting are structured materials for sensing, owing to their visual colors that change in the presence of analytes. This is very convenient, as the naked eye can be used as the ‘detector’. In this review, we cover many examples of structured materials for sensing applications, ending with examples of other significant sensing technologies, including those based on porous silicon and conducting polymers.
Bioanalytical Chemistry, Biosensors
Authors: Jiang Jian‐Hui , Tang Hao
Published: June 2015

Bioanalytical chemistry and biosensor research have achieved great success since the first biosensor development in the 1960s. Biosensor has its unique advantages to achieve fast, real‐time analysis at a low cost with small integrated and portable device compared with conventional analytical techniques. It represents a promising tool for clinic diagnosis, environmental monitoring, and many other areas. While only small part of biosensors have been applied for practical and commercial applications, technical challenges and economic barrier are needed to be overcome for many biosensors toward practical applications. This article covers principles, basic types, construction of biosensor, current situation, and research trends of biosensors.
Historical Pigments: A Survey of Analytical Chemical Archaeometric Usage and Terminology for Forensic Art Analysis
Authors: Edwards Howell G.M.
Published: June 2015

The adoption of mineral pigments for artistic expression can be traced back to the paintings of the Magdalenian and Cro‐Magnon cultures of about 25 000 years BCE, wherein a limited range of oxides such as pyrolusite, goethite, and hematite were utilized along with the first synthetic pigment, carbon, to decorate cave dwellings with surprisingly lifelike images. The growth of chemistry created a new palette of colors, culminating in the preparation of organic dyes and pigments in the mid‐nineteenth century. The historical usage of mineral pigments largely based on metal sulfides, oxides, carbonates, sulfates, and nitrates followed by early natural organic extracts from botanical and insect species such as dragon's blood, indigo, gamboge, and cochineal that were later partially superseded by a wide range of synthetic azo dyes is described, where possible alongside their accepted date of first adoption in artworks; while this is relatively easy to define in the case of synthetic materials, it is rather more conjectural for the establishment of an historical timeline for naturally occurring minerals. The characterization of pigments using analytical chemical techniques applied to artworks and artifacts can therefore be used to identify an out‐of‐context material in an otherwise perfectly acceptable work of art sufficient to render an appellation of ‘fake’ being applied to the object. However, unrecorded later restoration whereby an artwork has been retouched using modern, more stable pigments replacing their more fugitive analogues can cause problems in this respect. In this article, the mineral pigments used are tabulated along with their synthetic counterparts that frequently have precise dates for their appearance in the chemical literature giving rise to a contextual and chronological aspect to analytical science applied to artworks – aforensic arttheme. Much work has recently been discussed in the analytical discrimination between natural mineral pigments used historically and their more recent synthetic counterparts: here, terminological differences are critically important and often lacking – hence, the confused usage of terms such as cinnabar and vermilion, lapis lazuli and ultramarine, which are to be found in artists' manuals and contemporary texts.
Incarcerated Populations and Mental Status
Authors: Roof Jason G.
Published: June 2015

Mental health providers in correctional settings will experience unique environments and a patient population that are substantially different than other practice locations. A history of mental health care and correctional facilities in the United States is presented to establish the basis by which challenges of treating mentally ill in a setting designed for punishment. Lawsuits and shifting public opinion brought change to correctional systems establishing the constitutional rights of inmates to receive mental health care while incarcerated. Correctional Psychiatry is differentiated from Forensic Psychiatry and differences, including change in confidentiality are discussed. The need for adequate mental health care in correctional settings is substantial and mental health providers in correctional settings will find novel challenges with the system, correctional officers, and their patients.
Aggression: Gender Differences in
Authors: Nicholls Tonia L. , Greaves Caroline , Greig Duncan , Moretti Marlene M.
Published: June 2015

This article offers abroad review of trends in sex differences in aggression. We begin by operationalizing aggression and violence and discussing developmental trajectories and pathways to aggression and violence. We then report on the prevalence and incidence of aggression among females and critique assertions that female aggression is increasing. Next, sex differences and similarities in aggressive and violent behavior are examined. This is followed by a critical examination of whether risk and protective factors are sex‐specific. We close with a brief exploration of clinical implications of the extant research literature for prevention and intervention, and reflections on gaps in knowledge and directions for future research.
Mental Status: Examination
Authors: Hall Ryan C.W.
Published: June 2015

The mental status exam is the equivalent of the physical exam for mental health practitioners. It contains both objective observations and subjective reporting from the patient. It allows the evaluee's mental state at the time of evaluation to be documented and preserved. The mental status is generally reported in the order of physical/superficial observations to more detailed internal thought process and capabilities. Multiple tests, screens, or scales can be used to assist the evaluator in determining a person's mental status. The mental status can be used for a variety of purposes such as formulating a diagnosis, accessing malingering, determining violence risk to self or others, and justifying a billing code. It needs to be remembered though that a mental status is just one part of a comprehensive examination or clinical encounter and there can be variation in the information noted depending on the context of the evaluation.
Head Injury: Neuropsychological Assessment
Authors: Bresler Scott A. , Martell Daniel A.
Published: June 2015

This article provides a brief, yet detailed overview of the science underlying the assessment of head injury and its various symptomatic manifestations. Specific strategies for pinpointing neurocognitive deficits associated with head injury are discussed. These include neurological evaluation, various neuroimaging techniques, and neuropsychological testing. Some of the newer diagnoses are explained, and a brief discussion of sports related head injuries is presented herein.
Modern Avionics andATMSystems for Green Operations
Authors: Sabatini Roberto , Gardi Alessandro , Ramasamy Subramanian , Kistan Trevor , Marino Matthew
Published: June 2015

Scientific advances in communication, navigation, surveillance/air traffic management (CNS/ATM) and avionic (CNS+A) systems are essential to achieve the ambitious goals set by national and international organizations for a more sustainable aviation industry. NovelCNS+Atechnologies have been conceived to increase operational efficiency and to improve environmental sustainability, while at the same time ensuring higher levels of safety and interoperability. This chapter reviews the state of the art in novel avionics andATMsystem concepts and technologies, as well as key aspects of trajectory optimization techniques, which are involved in the design of modernCNS+Asystems. TheseCNS+Asystems implement 4Dtrajectory optimization algorithms, data link communications, and enhanced navigation and surveillance technologies, as well as suitable interfaces/processing to enable automated negotiation and validation of the aircraft intents for greener air traffic operations. As an integral part of thisCNS+Aevolutionary process, specific requirements for remotely piloted aircraft systems (RPAS) are being addressed toward enabling the unrestricted and safe access of RPAS to all classes of airspace.
Integrated Assessment Modeling
Authors: Dray Lynnette M. , Evans Antony D.
Published: June 2015

Global aviation is a complex system, with many interactions between individual subsystems on different timescales. For example, setting carbon dioxide emissions standards for new aircraft models could reduce airline fuel use, leading to lower fuel costs. However, under competition this could lead to airlines lowering ticket prices, leading to increased passenger demand, which in turn may partially offset the emissions reduction potential of the new technology. Integrated assessment modeling seeks to better understand these interactions, and their impacts, by explicitly modeling aviation subsystems and the feedback between them. In this chapter, we discuss the principles behind aviation integrated assessment modeling, the types of systems that can be included, typical modeling strategies in each area, and the interactions between them. We survey existing models that look at aviation policy assessment in an integrated way and discuss the future prospects for integrated modeling as available computing power increases.
A Roadmap for Aviation Research in Australia
Authors: Sabatini Roberto , Subic Aleksandar , Dorrington Graham , Mouritz Adrian , Wang Chun , Bil Cees , Kistan Trevor , Gardi Alessandro , Ramasamy Subramanian
Published: June 2015

This chapter reviews the key areas of research focus in the Australian aviation sector, as well as the associated needs, challenges, and opportunities. The main topics include improved efficiency and capacity of airports, integrated air traffic management (
ATM
) systems and technologies, cost‐effective through‐life support of new and aging aircraft, and alternative fuels and low‐emission technologies. In addition, advancements in aviation safety and security have been identified as a strategic focus area for aviation research in Australia. Both short‐term and long‐term initiatives are essential to increase the economic and environmental sustainability of the sector and are therefore being targeted by various industrial and government organizations.
Control System Mechanization
Authors: Cao Yunfeng , Chen Wen‐Hua , Coombes Matthew
Published: June 2015

This chapter introduces the control system mechanization of unmanned aircraft systems (UAS), covering the system composition, system design, and development process of flight control systems (FCS) in the context of UAS. The chapter is divided into three main sections. The first section provides a general introduction of control fundamentals of UAS, including typical UAS system compositions, main types of flight control systems, and the design constraints of control systems on UAS. The second section provides a general discussion of the key components of UAS control systems. Various sensors for attitude determination and navigation, aerodynamic actuators and flight control computers, and other related components have been overviewed. The third section deals with design and development cycles of UAS control systems, where design methods, software‐in‐the‐loop simulation, and hardware‐in‐the‐loop tests are discussed. A number of specific features of FCS for UAS, particularly for small UAS, such as network communication and fail‐safe control are highlighted and some practical issues and considerations are also presented.
Boron: Polyhedral Carboranes
Authors: Hosmane Narayan S. , Maguire John A. , Chakrabarti Amartya
Published: June 2015

Carboranes are compounds in which carbon, boron, and hydrogen atoms are present in polyhedral cages. The cages are stabilized by multicentered bonds, which gives the carboranes unique chemical and structural properties. Many of these compounds are chemically and thermally stable enough to allow their use as boron delivery agent for boron neutron capture therapy (BNCT) in cancer treatment and as molecular assemblies. Carborane polymers are now being widely used as thermally stable compounds in different applications.
Biomedical Applications of Magnetic Nanoparticles
Authors: Ortega Daniel
Published: June 2015

Magnetism, which is an intrinsic property of every atom, has a profound influence on living organisms. Magnetism of nanoparticles plays a strong role in certain specific applications of health care. More particularly, several magnetic inorganic oxides, such as iron oxides, which are biocompatible, have been extensively used for several medical applications in their nanometric form. These applications/perspectives include magnetic resonance imaging (MRI) contrast enhancement, hyperthermia treatment of cancer, targeted drug delivery, biological separation or sensing, as well as magnetically aided cell and gene therapies. This article examines these applications through the understanding of the problems involved and the current and future possibilities for resolving them.
Three‐Domain Heme‐c‐Cu Nitrite Reductases
Authors: Antonyuk Svetlana V , Eady Robert R , Samar Hasnain S
Published: June 2015

Nitrite reductases (NiRs) catalyze the first committed step in denitrification, requiring one electron and two protons for the reduction of nitrite to nitric oxide. NiRs containing two types of copper centers have been studied extensively from several organisms demonstrating that the three substrates (electron, proton, and nitrite) are gated during turnover. Recently structures of a new class of NiRs containing two types of copper centers and ac‐type cytochrome have been determined providing new insight into coupling of donor protein (cytochrome) and Cu1‐Cu2NiRs.
Iron RegulatorAft2fromSaccharomyces Cerevisiae
Authors: Poor Catherine B , Wegner Seraphine V
Published: June 2015

Iron, which is an essential metal but also toxic at elevated levels, is regulated by the transcriptional regulators Aft1 and Aft2 in yeast. Aft1 and Aft2 bind to the iron responsive element under iron deficiency to activate genes responsible for iron import, iron relocalization, and altered metabolism.In vivostudies have revealed many players in this regulation, such as the nuclear importer and exporter of Aft1 and Aft2 for their iron‐dependent localization, the role of mitochondrial iron–sulfur cluster synthesis, and how the iron signal is transmitted to Aft1 and Aft2. On the other hand, a variety of spectroscopic, biochemical, and structural studies have revealed important details on the iron regulation of Aft1 and Aft2 at the molecular level. Aft1 and Aft2 have two metal binding sites: a structural zinc‐binding site and a regulatory iron‐binding site. Iron binding to Aft1 and Aft2 leads to protein dimerization and dissociation from the iron regulatory element, which results in the deactivation of the iron regulon.
Dihydroorotase Domain of HumanCAD
Authors: Ruiz‐Ramos Alba , Grande‐García Araceli , Ramón‐Maiques Santiago
Published: June 2015

DHO is a zinc‐dependent enzyme that catalyzes the third step of the pathway forde novobiosynthesis of pyrimidine nucleotides, the reversible cyclization ofN‐carbamoyl‐l‐aspartate (CA‐asp) to dihydroorotate (CA‐asp2−+ H+↔ dihydroorotate−+ H2O). In animals, DHO is integrated into CAD, a multienzymatic complex catalyzing the first three steps of thede novopyrimidine pathway. CAD is a 1.5 MDa homohexamer formed by the self‐association of a 243 kDa polypeptide composed of four contiguous functional domains: glutaminase (GLN), carbamoyl phosphate synthetase (CPS; EC 6.3.5.5), aspartate transcarbamoylase (ATC; EC 2.1.3.2), and DHO.
Fungal Pro‐tyrosinase
Authors: Fujieda Nobutaka , Itoh Shinobu
Published: June 2015

In this article, we summarize the biochemical and structural properties focusing on the maturation process of fungal pro‐tyrosinase (PTY). This process consists of two steps: the copper uptake and proteolytic cleavage of the C‐terminal domain of pro‐tyrosinase. On the basis of the comparison ofmelBpro‐tyrosinase fromAspergillus oryzaewith pro‐tyrosinase fromAgaricus bisporus, we can see that the distinct phenylalanine residues from C‐terminal domains are anchored into the active site of the copper‐binding site and prevent the substrate binding as ‘placeholder’ of the phenol substrate. Such shielding mode of active site is common among type III copper proteins such as hemocyanin. On the other hand, their C‐terminal domains have an unusual long loop structure with CXXC motifs in common; these are involved in the copper uptake step. We discuss the difference in the copper incorporation step between PTYs.
N
‐Terminal Domain of the
Cu(I)
‐Binding Protein
CusB
Authors: Ucisik Melek N , Merz Jr Kenneth M
Published: June 2015

CusB is the membrane fusion protein of the Cu(I)/Ag(I) extrusion pump system CusCFBA in
Escherichia coli
. Although several crystal structures exist for the Cu(I)/Ag(I) binding protein CusB, its N‐terminus region could never be characterized by spectroscopic techniques due to its intrinsic disorder. CusB N‐terminus is of utmost importance as it facilitates the uptake of Cu(I) and Ag(I) ions from the periplasm and thus plays an essential role in survival of
E. coli
cells in media containing high concentrations of these ions. It was shown experimentally to chelate the metal nearly as well as the full‐length CusB in
in vivo
studies on the survival of
E. coli
cells at elevated Cu(I) concentrations. Metal transfer was also shown to occur between the CusB N‐terminus and the periplasmic metallochaperone of the CusCFBA system, CusF. Experimental and computational studies performed on this protein domain conclude that its observed structural disorder is only minimally impacted upon metal binding. Molecular dynamics simulations revealed some secondary structural motifs within the disorder and observed that complexation with CusF mostly relieves the observed disorder.
Dinuclear Iron Cluster‐Containing OxygenaseCmlA
Authors: Knoot Cory J , Makris Thomas M , Lipscomb John D
Published: June 2015

CmlA is a tailoring enzyme from the nonribosomal peptide synthetase (NRPS)‐based biosynthetic pathway for chloramphenicol expressed inStreptomyces venezuelae. The enzyme is a monooxygenase that catalyzes the β‐hydroxylation ofl‐para‐aminophenylalanine (l‐PAPA) covalently tethered to the NRPS CmlP. Spectroscopic and X‐ray crystallographic studies reveal an oxo‐bridged dinuclear iron cluster in the active site that binds and activates O2. The structure shows that the subunits of the homodimeric CmlA are composed of a 248 residue N‐terminal domain with a novel fold and a 284 residue C‐terminal domain with a metallo‐β‐lactamase (MBL) fold where the diiron cluster is bound. Oxygenase activity has not been previously observed for a diiron cluster in an MBL fold and no other diiron cluster enzyme is known to catalyze β‐hydroxylation. In the diferrous state, the diiron cluster is reactive with O2, but the reaction is very slow in the absence of the CmlP–l‐PAPA complex. Thus, CmlA is regulated so that O2is activated only when substrate is bound. CmlA is the first diiron cluster‐containing enzyme known to be active in an NRPS pathway, but a gene search reveals numerous homologs of CmlA that are likely to catalyze similar reactions during biosynthesis of other natural products.
Performances of Liquid‐Exfoliated Transition Metal Dichalcogenides as Hole Injection Layers in Organic Light‐Emitting Diodes
Authors: Kim Cheolmin , Nguyen Thang Phan , Le Quyet Van , Jeon Jong‐Myeong , Jang Ho Won , Kim Soo Young
Published: June 2015

2D transition metal dichalcogenide (TMD) nanosheets, including MoS2, WS2, and TaS2, are used as hole injection layers (HILs) in organic light‐emitting diodes (OLEDs). MoS2, WS2, and TaS2 nanosheets are prepared using an exfoliation by ultrasonication method. The thicknesses and sizes of the TMD nanosheets are measured to be 3.1–4.3 nm and more than 100 nm, respectively. The work functions of the TMD nanosheets increase from 4.4–4.9 to 4.9–5.1 eV following ultraviolet/ozone (UVO) treatment. The turn‐on voltages at 10 cd m−2 for UVO‐treated TMD‐based devices decrease from 7.3–12.8 to 4.3–4.4 V and maximum luminance efficiencies increase from 5.74–9.04 to 12.01–12.66 cd A−1. In addition, this study confirms that the stabilities of the devices in air can be prolonged by using UVO‐treated TMDs as HILs in OLEDs. These results demonstrate the great potential of liquid‐exfoliated TMD nanosheets for use as HILs in OLEDs.
Physical assault, physical threat, and verbal abuse perpetrated against hospital workers by patients or visitors in six U.S. hospitals
Authors: Pompeii Lisa A. , Schoenfisch Ashley L. , Lipscomb Hester J. , Dement John M. , Smith Claudia D. , Upadhyaya Mudita
Published: June 2015

Background

An elevated risk of patient/visitor perpetrated violence (type II) against hospital nurses and physicians have been reported, while little is known about type II violence among other hospital workers, and circumstances surrounding these events.

Methods

Hospital workers (n = 11,000) in different geographic areas were invited to participate in an anonymous survey.

Results

Twelve‐month prevalence of type II violence was 39%; 2,098 of 5,385 workers experienced 1,180 physical assaults, 2,260 physical threats, and 5,576 incidents of verbal abuse. Direct care providers were at significant risk, as well as some workers that do not provide direct care. Perpetrator circumstances attributed to violent events included altered mental status, behavioral issues, pain/medication withdrawal, dissatisfaction with care. Fear for safety was common among worker victims (38%). Only 19% of events were reported into official reporting systems.

Conclusions

This pervasive occupational safety issue is of great concern and likely extends to patients for whom these workers care for. Am. J. Ind. Med. 58:1194–1204, 2015. © 2015 Wiley Periodicals, Inc.
Ambient air pollution and neurotoxicity on brain structure: Evidence from women's health initiative memory study
Authors: Chen Jiu‐Chiuan , Wang Xinhui , Wellenius Gregory A. , Serre Marc L. , Driscoll Ira , Casanova Ramon , McArdle John J. , Manson JoAnn E. , Chui Helena C. , Espeland Mark A.
Published: June 2015

Objective

The aim of this study was to examine the putative adverse effects of ambient fine particulate matter (PM2.5: PM with aerodynamic diameters <2.5μm) on brain volumes in older women.

Methods

We conducted a prospective study of 1,403 community‐dwelling older women without dementia enrolled in the Women's Health Initiative Memory Study, 1996–1998. Structural brain magnetic resonance imaging scans were performed at the age of 71–89 years in 2005–2006 to obtain volumetric measures of gray matter (GM) and normal‐appearing white matter (WM). Given residential histories and air monitoring data, we used a spatiotemporal model to estimate cumulative PM2.5 exposure in 1999–2006. Multiple linear regression was employed to evaluate the associations between PM2.5 and brain volumes, adjusting for intracranial volumes and potential confounders.

Results

Older women with greater PM2.5 exposures had significantly smaller WM, but not GM, volumes, independent of geographical region, demographics, socioeconomic status, lifestyles, and clinical characteristics, including cardiovascular risk factors. For each interquartile increment (3.49μg/m3) of cumulative PM2.5 exposure, the average WM volume (WMV; 95% confidence interval) was 6.23cm3 (3.72–8.74) smaller in the total brain and 4.47cm3 (2.27–6.67) lower in the association areas, equivalent to 1 to 2 years of brain aging. The adverse PM2.5 effects on smaller WMVs were present in frontal and temporal lobes and corpus callosum (all p values <0.01). Hippocampal volumes did not differ by PM2.5 exposure.

Interpretation

PM2.5 exposure may contribute to WM loss in older women. Future studies are needed to determine whether exposures result in myelination disturbance, disruption of axonal integrity, damages to oligodendrocytes, or other WM neuropathologies. Ann Neurol 2015;78:466–476
PID control of integrating systems using Multiple Dominant Poleplacement method
Authors: Anil Ch. , Sree R. Padma
Published: June 2015

Simple tuning rules for proportional‐integral‐derivative (PID) controller are proposed for Pure Integrating Plus Time Delay systems (PIPTD), Double Integrating Plus Time Delay systems (DIPTD) and stable/unstable First Order Plus Time Delay Integrating systems (FOPTDI) based on Multiple Dominant Poleplacement (MDP) method. The main advantage of the method is that there is no time delay approximation for deriving PID settings. Tuning rules for PIPTD and DIPTD systems are given as a function of tuning parameter, and tuning parameter can be selected based on desired level of robustness (maximum magnitude of the sensitivity function, Ms). Tuning rules for FOPTDI system are given as a function of ratio of time delay to the process time constant
for Ms = 2. Simulation on various transfer function models and on non‐linear model equations of CSTR carrying out an exothermic reaction shows the effectiveness of the proposed method in terms of Integral Absolute Error (IAE), Total Variation (TV), Overshoot (OS) and Ms. © 2015 Curtin University of Technology and John Wiley & Sons, Ltd.
Contouring Control for Multi‐Axis Motion Systems With Holonomic Constraints: Theory and Application to a Parallel System
Authors: Chen Shyh‐Leh , Tsai Yuan‐Cheng
Published: June 2015

In this paper, the contouring control problem for the constrained multi‐axis motion system is studied. The method of equivalent errors, previously proposed for unconstrained motion systems, is generalized to the system with holonomic constraints. It is shown that the method can be applied to the constrained system provided that the constraints satisfy a proper condition. Because of the constraints, the states in the control law are not completely independent. The unavailable states can be estimated using linear approximation from the constraint equations. As an illustrative example, the proposed method is applied to a parallel motion system with complicated dynamics. A contouring controller is designed using the method of equivalent errors incorporated with integral sliding mode control. Simulation results for contouring circular, elliptic, and square paths verify the effectiveness of the proposed method.
Lectin‐based protein microarray analysis of differences in serum alpha‐2‐macroglobulin glycosylation between patients with colorectal cancer and persons without cancer
Authors: Šunderić Miloš , Šedivá Alena , Robajac Dragana , Miljuš Goran , Gemeiner Peter , Nedić Olgica , Katrlík Jaroslav
Published: June 2015

Glycosylation is co‐ and posttranslational modifications affecting proteins. The glycopattern changes are associated with changes in biological function and are involved in many diseases including cancer. We present the lectin‐based protein microarray method enabling determination of differences in protein glycosylation. The method involves isolation of targeted protein from samples by immunoprecipitation, spotting of protein from multiple samples into arrays on a microarray slide, incubation with set of biotinylated lectins, the reaction with fluorescent conjugate of streptavidin, and detection of fluorescent intensities by microarray scanner. Lectin‐based protein microarray was applied in investigation of differences in alpha‐2‐macroglobulin (α2M) glycosylation isolated from sera samples of healthy persons and patients with colorectal cancer (CC). From 14 lectins used in analysis, statistically significant differences (Student's t‐test, P < 0.05) between two groups of samples (persons without cancer and CC patients) were found for 5 of them. α2M molecules isolated from sera of CC patients have higher content of α2,6 sialic acid, N‐acetylglucosamine and mannose residues, and tri‐/tetraantennary complex type high‐mannose N‐glycans. A novel lectin‐based protein microarray developed and described can serve as a suitable analytical technique for sensitive, simple, fast, and high‐throughput determination of differences in protein glycosylation isolated from serum or other samples.
Socioeconomic deprivation and inpatient complication rates following mastectomy and breast reconstruction surgery
Authors: Jeevan R , Browne J P , Pereira J , Caddy C M , Sheppard C , van der Meulen J H P , Cromwell D A
Published: June 2015

Background

Socioeconomic deprivation is known to influence the presentation of patients with breast cancer and their subsequent treatments, but its relationship with surgical outcomes has not been investigated. A national prospective cohort study was undertaken to examine the effect of deprivation on the outcomes of mastectomy with or without immediate breast reconstruction.

Methods

Data were collected on patient case mix, operative procedures and inpatient complications following mastectomy with or without immediate breast reconstruction in the English National Health Service between 1 January 2008 and 31 March 2009. Multivariable logistic regression was used to examine the relationship between patients' level of (regional) deprivation and the likelihood of local (mastectomy site, flap, flap donor and implant) and distant or systemic complications, after adjusting for potential confounding factors.

Results

Of 13 689 patients who had a mastectomy, 2849 (20·8 per cent) underwent immediate reconstruction. In total, 1819 women (13·3 per cent) experienced inpatient complications. The proportion with complications increased from 11·2 per cent among the least deprived quintile (Q1) to 16·1 per cent in the most deprived (Q5). Complication rates were higher among smokers, the obese and those with poorer performance status, but were not affected by age, tumour type or Nottingham Prognostic Index. Adjustment for patient-related factors only marginally reduced the association between deprivation and complication incidence, to 11·4 per cent in Q1 and 15·4 per cent in Q5. Further adjustment for length of hospital stay, hospital case volume and immediate reconstruction rate had minimal effect.

Conclusion

Rates of postoperative complications after mastectomy and breast reconstruction surgery were higher among women from more deprived backgrounds.
Functional Cell Adhesion Receptors (Integrins) in Polymeric Architectures
Authors: Zaba Christoph , Ritz Sandra , Tan Cherng‐Wen Darren , Zayni Sonja , Müller Martina , Reuning Ute , Sinner Eva‐Kathrin
Published: June 2015

Integrins, as transmembrane heterodimeric receptors, have important functions in cell adhesion, migration, proliferation, survival apoptosis and signal transduction, in many physio‐ as well as pathophysiological settings. Characterisation of integrins and their ligand/antagonist binding is notoriously difficult, due to high integrin redundancy and ubiquity. Bypassing the intrinsic difficulties of cell‐based integrin expression, purification and reconstitution, we present for the first time the synthesis of a heterodimeric integrin receptor and its assembly into a block‐copolymeric membrane mimic. We present comprehensive data to demonstrate the synthesis of functionally active integrin αvβ3, generated by in vitro membrane‐assisted protein synthesis (iMAPS). This work represents the first step towards a robust and adaptable polymer‐based platform for characterisation of integrin–ligand interactions.
Creating a Water‐Soluble Resveratrol‐Based Antioxidant by Site‐Selective Enzymatic Glucosylation
Authors: Lepak Alexander , Gutmann Alexander , Kulmer Sandra T. , Nidetzky Bernd
Published: June 2015

The phytochemical resveratrol (trans‐3,5,4′‐trihydroxystilbene) has drawn great interest as health‐promoting food ingredient and potential therapeutic agent. However, resveratrol shows vanishingly low water solubility; this limits its uptake and complicates the development of effective therapeutic forms. Glycosylation should be useful to enhance resveratrol solubility, with the caveat that unselective attachment of sugars could destroy the molecule's antioxidant activity. UGT71A15 (a uridine 5′‐diphosphate α‐D‐glucose‐dependent glucosyltransferase from apple) was used to synthesize resveratrol 3,5‐β‐D‐diglucoside; this was about 1700‐fold more water‐soluble than the unglucosylated molecule (∼0.18 mM), yet retained most of the antioxidant activity. Resveratrol 3‐β‐D‐glucoside, which is the naturally abundant form of resveratrol, was a practical substrate for perfect site‐selective conversion into the target diglucoside in quantitative yield (g L−1 concentration).
Silver Iodide Nanospheres Wrapped in Reduced Graphene Oxide for Enhanced Photocatalysis
Authors: Liu Junxue , Luan Yiliang , An Changhua , Zhang Jun , Wang Dingsheng , Li Yadong
Published: June 2015

We have prepared nanocomposites of well‐defined spherical AgI nanostructures wrapped in reduced graphene oxide nanosheets (AgI@RGO). The as‐obtained AgI@RGO nanocomposites exhibit an enhanced photocatalytic activity and stability in the degradation of organic pollutants, namely, Rhodamine B (RhB), in comparison with bare AgI nanospheres. The hybridization of AgI nanospheres with RGO nanosheets affords a good adsorptive capacity for RhB molecules, facilitated charge transfer, and suppressed recombination of electron–hole pairs. These figures of merit lead to an enhanced photocatalytic performance over AgI@RGO. This work opens new possibilities for the development of highly efficient and stable visible‐light‐driven composite photocatalysts for environmental purification.