bluuebunny/crossref_metadata_2025 huggingface dataset:
Self-care in nursing: an integrative review
Authors: Maia Clecio Andre Alves da Silva , Oliveira Ramonyer Kayo Morais de , Queiroz Johny Carlos de
Published: January 2015

Objetivo: Analisar o processo de cuidar de si na enfermagem. Método: Trata-se de um estudo reflexivo e de revisão integrativa de literatura realizada nos bancos de dados BDENF, LILACS, SciELO e MEDLINE, utilizando os descritores controlados “autocuidado”, “enfermagem”, “trabalho” e “hospital” e o não controlado “cuidar de si”. Resultados: Foram analisados 5 produções científicas, sendo os resultados agrupados em dois pilares: caracterização dos estudos encontrados; e questões teóricas trazidas pelos estudos, tais como a interface entre o cuidar de si e o descuidado da enfermagem, o cuidar de si em meio às teorias e a concepção espiritual e, as implicações do cuidar de si para a enfermagem. Conclusão: Conclui-se que o cuidar de si deve ser uma prática incorporada pelos enfermeiros e acadêmicos para que estes não sofram desgaste através das vivências cotidianas do trabalho, para que este hábito favoreça a si mesmo e o cuidar do outro.
Health education and humanized practice of nursing at intensive care units: bibliometric study
Authors: Da Silveira Rodrigo Euripedes , Contim Divanice
Published: January 2015

OBJETIVO:Abordar a participação do Enfermeiro enquanto principal cuidador e educador em saúde inserido na UTI. MÉTODOS: Estudo descritivo de recorte transversal (2003-2010), enquanto Investigação Bibliométrica realizada nas bases de dados LILACS e MEDLINE. RESULTADOS: As publicações ocorreram predominantemente nos estados do Rio de Janeiro e Paraná, na base LILACS (80%), com autores enfermeiros (87%) e doutores (32%).  A humanização na UTI é uma tarefa complexa por vários motivos, como elevado número de atividades que o enfermeiro executa na UTI, reduzindo seu tempo de convívio com paciente e familiares, bem como para um treinamento adequado de sua equipe. CONCLUSÃO:Ainda é incipiente a abordagem destes temas na literatura, sobremaneira aqueles que associam educação em saúde e humanização à prática do enfermeiro trabalhador de UTI, constituindo-se em um relevante e ainda inexplorado campo de investigação.DESCRITORES: Enfermagem, Educação em Saúde, Humanização da Assistência, UTI.
Hydrogenations at Room Temperature and Atmospheric Pressure with Mesoionic Carbene‐Stabilized Borenium Catalysts
Authors: Eisenberger Patrick , Bestvater Brian P. , Keske Eric C. , Crudden Cathleen M.
Published: January 2015

1,2,3‐Triazolylidene‐based mesoionic carbene boranes have been synthesized in a convenient one‐pot protocol from the corresponding 1,2,3‐triazolium salts, base, and borane. Borenium ions are obtained by hydride abstraction and serve as catalysts in mild hydrogenation reactions of imines and unsaturated N‐heterocycles at ambient pressure and temperature.
Single‐Entity Heparan Sulfate Glycomimetic Clusters for Therapeutic Applications
Authors: Tyler Peter C. , Guimond Scott E. , Turnbull Jeremy E. , Zubkova Olga V.
Published: January 2015

Heparan sulfate (HS) is a highly sulfated glycosaminoglycan with a variety of critical functions in cell signaling and regulation. HS oligosaccharides can mimic or interfere with HS functions in biological systems; however, their exploitation has been hindered by the complexity of their synthesis. Polyvalent displays of small specific HS structures on dendritic cores offer more accessible constructs with potential advantages as therapeutics, but the synthesis of single‐entity HS polyvalent compounds has not previously been described. Herein we report the synthesis of a novel targeted library of single‐entity glycomimetic clusters capped with varied HS saccharides. They have the ability to mimic longer natural HS saccharides in their inhibition of the Alzheimer’s disease (AD) protease BACE‐1. We have identified several single‐entity HS clusters with IC50 values in the low‐nanomolar range. These HS clusters are drug leads for AD and offer a novel framework for the manipulation of heparan sulfate–protein interactions in general.
Total Synthesis of Trioxacarcin DC‐45‐A2
Authors: Nicolaou K. C. , Cai Quan , Qin Bo , Petersen Mette T. , Mikkelsen Remi J. T. , Heretsch Philipp
Published: January 2015

An enantioselective total synthesis of trioxacarcin DC‐45‐A2 (1) featuring a novel Lewis acid‐induced cascade rearrangement of epoxyketone 6 to forge the polyoxygenated 2,7‐dioxabicyclo[2.2.1]heptane core of the molecule is described.
Light‐Induced Protein Dimerization by One‐ and Two‐Photon Activation of Gibberellic Acid Derivatives in Living Cells
Authors: Schelkle Korwin M. , Griesbaum Tristan , Ollech Dirk , Becht Steffy , Buckup Tiago , Hamburger Manuel , Wombacher Richard
Published: January 2015

We developed a highly efficient system for light‐induced protein dimerization in live cells using photo‐caged derivatives of the phytohormone gibberellic acid (GA3). We demonstrate the application of the photo‐activatable chemical inducer of dimerization (CID) for the control of protein translocation with high spatiotemporal precision using light as an external trigger. Furthermore, we present a new two‐photon (2P)‐sensitive caging group, whose exceptionally high two‐photon cross section allows the use of infrared light to efficiently unleash the active GA3 for inducing protein dimerization in living cells.
Perspectives in Chemistry—Aspects of Adaptive Chemistry and Materials
Authors: Lehn Jean‐Marie
Published: January 2015

Chemistry, pure and applied, is a science and an industry. By its power over the expressions of matter, it also displays the creativity of art. It has expanded from molecular to supramolecular chemistry and then, by way of constitutional dynamic chemistry, towards adaptive chemistry. Constitutional dynamics allow for adaptation, through component exchange and selection in response to physical stimuli (e.g. light, photoselection), to chemical effectors (e.g. metal ions, metalloselection) or to environmental effects (e.g. phase change) in equilibrium or out‐of‐equilibrium conditions, towards the generation of the best‐adapted/fittest constituent(s) in a dynamic set. Such dynamic systems can be represented by two‐dimensional or three‐dimensional dynamic networks that define the agonistic and antagonistic relationships between the different constituents linked through component exchange. The introduction of constitutional dynamics into materials science opens perspectives towards adaptive materials and technologies, presenting attractive behavioral features (such as self‐healing). In particular, dynamic polymers may undergo modification of their properties (mechanical, optical, etc.) through component exchange and recombination in response to physical or chemical agents. Constitutional adaptive materials open towards a systems materials science and offer numerous opportunities for soft‐matter technologies.
Ion and Molecular Recognition Using Aryl–Ethynyl Scaffolding
Authors: Vonnegut Chris L. , Tresca Blakely W. , Johnson Darren W. , Haley Michael M.
Published: January 2015

The aryl–ethynyl linkage has been extensively employed in the construction of hosts for a variety of guests. Uses range from ion detection (e.g., of metal cations in the environment or industrial waste and of anions prevalent in nature), to molecular mimics for biological systems, and to applications targeting future safety issues (such as CO2 capture and indicators for the manufacture of chemical weapons). This Focus Review examines the utilization of the aryl–ethynyl linkage in engineering host molecules for a variety of different guests, and how the alkyne unit plays an integral part as both a rigid scaffolding section in host geometry design as well as a linker to allow conjugative communication between discrete π‐electron systems.
Leader‐Following Output Synchronization for a Class of Uncertain Nonlinear Multi‐Agent Systems Under Uniformly Connected Network
Authors: Li Ranran
Published: January 2015

In this paper we study the cooperative global output regulation problem of a class of uncertain nonlinear multi‐agent systems under dynamic network topology. Distributed dynamic observers are introduced to estimate the states of the leader system or the called exosystem. Furthermore, we propose a multi‐channel input version of the changing supply rate theorem, through which the changing supply rate technique can be applied to the subsystem with multiple channels of the control inputs, and therefore control laws can be designed in a fully distributed way. As opposed to the existing results, in the current paper we allow the communication network topology to be uniformly connected. Finally, we apply our result to a group of well‐known Lorenz systems.
Dynamic mechanistic modeling of the multienzymatic one‐pot reduction of dehydrocholic acid to 12‐keto ursodeoxycholic acid with competing substrates and cofactors
Authors: Sun Boqiao , Hartl Florian , Castiglione Kathrin , Weuster‐Botz Dirk
Published: January 2015

Ursodeoxycholic acid (UDCA) is a bile acid which is used as pharmaceutical for the treatment of several diseases, such as cholesterol gallstones, primary sclerosing cholangitis or primary biliary cirrhosis. A potential chemoenzymatic synthesis route of UDCA comprises the two‐step reduction of dehydrocholic acid to 12‐keto‐ursodeoxycholic acid (12‐keto‐UDCA), which can be conducted in a multienzymatic one‐pot process using 3α‐hydroxysteroid dehydrogenase (3α‐HSDH), 7β‐hydroxysteroid dehydrogenase (7β‐HSDH), and glucose dehydrogenase (GDH) with glucose as cosubstrate for the regeneration of cofactor. Here, we present a dynamic mechanistic model of this one‐pot reduction which involves three enzymes, four different bile acids, and two different cofactors, each with different oxidation states. In addition, every enzyme faces two competing substrates, whereas each bile acid and cofactor is formed or converted by two different enzymes. First, the kinetic mechanisms of both HSDH were identified to follow an ordered bi–bi mechanism with EBQ‐type uncompetitive substrate inhibition. Rate equations were then derived for this mechanism and for mechanisms describing competing substrates. After the estimation of the model parameters of each enzyme independently by progress curve analyses, the full process model of a simple batch‐process was established by coupling rate equations and mass balances. Validation experiments of the one‐pot multienzymatic batch process revealed high prediction accuracy of the process model and a model analysis offered important insight to the identification of optimum reaction conditions. © 2015 American Institute of Chemical Engineers Biotechnol. Prog., 31:375–386, 2015
Synthesis of 3′‐Fluoro‐tRNA Analogues for Exploring Non‐ribosomal Peptide Synthesis in Bacteria
Authors: Iannazzo Laura , Laisné Guillaume , Fonvielle Matthieu , Braud Emmanuelle , Herbeuval Jean‐Philippe , Arthur Michel , Etheve‐Quelquejeu Mélanie
Published: January 2015

Aminoacyl‐tRNAs (aa‐tRNAs) participate in a vast repertoire of metabolic pathways, including the synthesis of the peptidoglycan network in the cell walls of bacterial pathogens. Synthesis of aminoacyl‐tRNA analogues is critical for further understanding the mechanisms of these reactions. Here we report the semi‐synthesis of 3′‐fluoro analogues of Ala‐tRNAAla. The presence of fluorine in the 3′‐position blocks Ala at the 2′‐position by preventing spontaneous migration of the residue between positions 2′ and 3′. NMR analyses showed that substitution of the 3′‐hydroxy group by fluorine in the ribo configuration favours the S‐type conformation of the furanose ring of terminal adenosine A76. In contrast, the N‐type conformation is favoured by the presence of fluorine in the xylo configuration. Thus, introduction of fluorine in the ribo and xylo configurations affects the conformation of the furanose ring in reciprocal ways. These compounds should provide insight into substrate recognition by Fem transferases and the Ala‐tRNA synthetases.
Screening and early detection efforts in lung cancer
Authors: Kanodra Neeti M. , Silvestri Gerard A. , Tanner Nichole T.
Published: January 2015

Lung cancer is the leading cause of cancer‐related death in the United States. Since publication of results from the National Lung Screening Trial, several professional organizations, including the US Preventive Services Task Force, have published guidelines recommending low‐dose computed tomography for screening in asymptomatic, high‐risk individuals. The benefits of screening include detection of cancer at an early stage when a definitive cure is possible, but the risks include overdiagnosis, false‐positive results, psychological distress, and radiation exposure. The current review covers the scope of low‐dose computed tomography screening, potential risks, costs, and future directions in the efforts for early detection of lung cancer. Cancer 2015;121:1347–1356. © 2015 American Cancer Society.
Facile Synthesis of Hollow TiO2 Single Nanocrystals with Improved Photocatalytic and Photoelectrochemical Activities
Authors: Liu Min , Zhong Miao , Li Hongmei , Piao Lingyu , Wang Wenjing
Published: January 2015

Diverse titanium dioxide (TiO2) nanostructures have attracted considerable attention owing to their broad applications in photocatalytic and photoelectrochemical fields. Herein, TiO2 hollow single nanocrystals are reported for the first time by using TiO2 nanopowders as the raw material and hydrofluoric acid as a capping and etching agent through a simple hydrothermal treatment. The influence of experimental parameters such as the concentration of HF, the amount of TiO2 nanoparticles, the reaction time, and temperature was investigated systematically. The obtained hollow single nanocrystals exhibited enhanced photoelectrochemical and photocatalytic performances attributed to their good crystallinity, suppressed charge recombination, and increased active sites. The current study will provide new insights into the nanostructured engineering of anatase TiO2 as well as opportunities for the controllable synthesis of hollow single nanocrystals.
Silane Meets Click Chemistry: Towards the Functionalization of Wet Bacterial Cellulose Sheets
Authors: Hettegger Hubert , Sumerskii Ivan , Sortino Salvatore , Potthast Antje , Rosenau Thomas
Published: January 2015

The modification of cellulosic materials is of great interest in materials research. Wet bacterial cellulose sheets were modified by an alkoxysilane under mild conditions to make them accessible to click chemistry derivatization. For this purpose (3‐azidopropyl)triethoxysilane was grafted covalently onto the cellulosic surface. The silanized bacterial cellulose sheets were characterized comprehensively by attenuated total reflectance FTIR spectroscopy, solid‐state NMR spectroscopy, thermogravimetric analysis, SEM with energy‐dispersive X‐ray spectroscopy, and elemental analysis. To demonstrate subsequent click chemistry functionalization, a new fluorophore based on fluorescein was synthesized and clicked to the silane‐modified bacterial cellulose. The new method renders bacterial cellulose and other never‐dried cellulosic materials susceptible to direct and facile functionalization in an aqueous medium without the need to work in water‐free organic phases or to employ extensive protecting group chemistry and functional group interconversion.
Application of Privacy Impact Assessment in the Smart City
Authors: Seto Yoichi
Published: January 2015

The smart city project is currently being promoted in various countries around the world. It is intended to take advantage of personal information and more appropriate utilization of energy. Therefore, the existence of privacy issues has been noted. Since a specific discussion of privacy risks in the smart city project is premature, we discuss the privacy risks associated with advances in the standardization of the smart grid, whose technology is the core of the smart city. In this paper we verify the effectiveness of Privacy Impact Assessment, with reference to privacy risks in the smart city.
Fully Slot–Die‐Coated All‐Organic Solar Cells
Authors: Andersson L. Mattias
Published: January 2015

Solar cells are perhaps the most environmentally friendly way to generate electricity available. The main drawback is the relatively large investments required by conventional technologies. Organic photovoltaics could be much cheaper. Here, we produce and characterize fully slot–die‐coated, all‐organic devices in a roll‐to‐roll process using only cheap components, benign solvents, and materials with a low environmental impact. One of the main problems with this type of device is a predisposition for short circuits. The reason for this is here identified to be mechanical failures in the active layer due to swelling of the bottom electrode material during processing. A solution to the swelling problem is provided and fully functional devices are demonstrated. On an industrial scale, this process requires only very simple slot–die coating equipment and can offer very cheap solar cells that have a very low environmental impact over their life cycle.
Towards the scale‐up of electrolysis with diamond anodes: effect of stacking on the electrochemical oxidation of 2,4 D
Authors: Souza Fernanda , Saéz Cristina , Lanza Marcos , Cañizares Pablo , Rodrigo Manuel A
Published: January 2015

BACKGROUND

In recent years, the application of electrochemical wastewater treatment processes has proven to be very efficient in the removal of recalcitrant organic compounds. However, the scale‐up of the boron‐doped diamond (BDD) anode system for industrial applications has not been sufficiently evaluated. This study assesses the effect of increasing the number of compartments in the same electrochemical module (DiaCell® 1001) on the treatment of synthetic wastewater with pesticide 2,4‐D and chlorides. This commercial module can be considered to be a stack of cells, in which the number of single cells varies from 2–10 and the anode areas range from 140–700 cm−2.

RESULTS

The results of the study demonstrate that an increase in the number of cells and a decrease in the resulting current density at the same current intensity caused an increase in the removal and mineralisation rates. Complete mineralisation was attained in all configurations tested. The production of hazardous species, such as chlorates and perchlorates, are also affected by the number of stacked cells, which causes them to be positioned lower in the stack due to the large number of cells.

CONCLUSIONS

No distinct differences in electrochemical efficiency are observed among the different configurations tested. However, a distinct improvement in the energy efficiency (g kWh−1) with an increase in the number of stacked cells is observed due to the reduced stack potential caused by applying the same current intensity to the stack with the higher number of cells. © 2015 Society of Chemical Industry
Processing barley grain with lactic acid and tannic acid ameliorates rumen microbial fermentation and degradation of dietary fibre in vitro
Authors: Deckardt Kathrin , Metzler‐Zebeli Barbara U , Zebeli Qendrim
Published: January 2015

BACKGROUND

Cereal grains are important ingredients of ruminant diets, but their rapid degradation seriously impairs rumen fermentation and the host's health. The goal of this study was to evaluate whether processing of barley grain with 1 or 5% lactic acid (LA) and 1 or 5% tannic acid (TA), without or with an additional heat treatment (1% LAH or 1% TAH), may affect microbial ruminal abundance, fermentation profile, and nutrient degradation in vitro.

RESULTS

Processing with LA lowered (P < 0.05) the concentration of short‐chain fatty acids (SCFAs), proportions of branched‐chain SCFA, and the acetate‐to‐propionate ratio. Treatment with 1% TAH and 1% LAH lowered (P < 0.05) gene copy numbers of total protozoa, rumen lipopolysaccharide, and degradation of crude protein, and tended (P = 0.08) to lower the proportion of the genus Prevotella. Treatment of barley grain with 1% LA or 1% LAH stimulated Clostridium cluster XIV. Degradation of fibre was enhanced (P < 0.05) by all LA and TA treatments.

CONCLUSION

Chemical and heat treatment of barley grain modulated the ruminal fermentation profile and enhanced fibre degradation; however, processing of grain with LA seems to be superior because this effect was not associated with a concomitant depression in ruminal degradation of organic matter. © 2015 Society of Chemical Industry
C9 Fraction Alkylation Desulfurization over Amberlyst 36 Resin:The Kinetics of 2‐Ethylthiophen, 2,5‐Dimethylthiophene, and 2‐n‐Propylthiophene with Isoamylene
Authors: Xu Weiwei , Li Yonghong
Published: January 2015

C9 fraction is the by‐products of catalytic reforming and ethylene cracker; it is considered as a kind of petroleum resin raw material. Recently, it was studied for the use as a gasoline additive to enhance the economic benefits. However, C9 fractions are getting higher in sulfur contents. As conventional hydrotreating technology leads to significant octane number loss and processing costs, the alkylation desulfurization process, which could reduce the sulfuric compounds to hydrogen sulfide by catalytic alkylation with olefins and distillation followed by, is a rather attractive way of reducing the sulfur of C9 fraction. In this paper, different kinds of thiophenic compounds, including 2‐ethylthiophen, 2,5‐dimethylthiophene, and 2‐n‐propylthiophene, were selected as the model compounds. Thiophenic compounds were studied first by the alkylation reaction over macroporous sulfonic resin Amberlyst 36, and the octane number of C9 fraction was measured. It was found that isoamylene and Amberlyst 36 resin had a significant effect on the alkylation desulfurization of thiophenic compounds with the conversion, reaching to above 99%. And the octane number of C9 fraction was increased by alkylation desulfurization over Amberlyst 36 resin. Moreover, the alkylation of thiophenic sulfurs could be described as a pseudo–first–order reaction as well as the reaction rate constant, and the activation energy of alkylation reactions was calculated.
Near total extirpation of vestibular schwannoma with salvage radiosurgery
Authors: Jeltema Hanne Rinck , Bakker Nicolaas A. , Bijl Hendrik P. , Wagemakers Michiel , Metzemaekers Jan D. M. , van Dijk J. Marc C.
Published: January 2015

Objectives/Hypothesis

The management of a sporadic vestibular schwannoma (VS) has changed with the introduction of stereotactic radiosurgery (SRS). Because functional outcome is important, particularly regarding the facial nerve, a policy of near‐total surgical resection of a large‐size VS has emerged, minimizing damage to the facial nerve. The debate remains whether the surgical remnant should be treated immediately or after established growth.

Study Design

Retrospective case series.

Methods

A consecutive cohort of 55 patients underwent a retrosigmoid craniotomy and near‐total removal of a large‐size VS at our university medical center between 2005 and 2011 and had a follow‐up of a least 3 years. Documented growth of the VS remnant after surgery necessitating adjuvant SRS was the primary outcome measure using analysis of variance.

Results

In 45 patients (81.8%), a small tumor remnant was left during surgery. The mean preoperative tumor volume was 12.2 cm3 (range, 1.13–50.16 cm3); the mean volume of the remnant was 0.22 cm3 (range, 0–1.52 cm3). The mean postoperative follow‐up time was 35.4 months (range, 3–76 months). Salvage SRS was deemed necessary in seven patients (13.0%). The size of the postoperative tumor remnant was a significant predictor for the necessity of postoperative adjuvant SRS. Normal facial nerve function (House‐Brackmann [HB] I) was preserved in 30 patients (57.7%), 17 patients (32.7%) experienced a permanent mild facial nerve deficit (HB II, III), and five patients (9.6%) experienced a severe facial nerve deficit (HB grade IV–VI).

Conclusions

Initial observation after near total surgical removal of VS is a feasible strategy, with only a minority requiring salvage radiosurgery during follow‐up.

Level of Evidence

4. Laryngoscope, 125:1703–1707, 2015
Surgical management for benign paroxysmal positional vertigo of the superior semicircular canal
Authors: Naples James G. , Eisen Marc D.
Published: January 2015

Benign paroxysmal positional vertigo of the superior semicircular canal is a rare form of BPPV. It accounts for 1% to 3% of cases. The characteristic nystagmus is positional, down‐beating, with a torsional component elicited by the Dix‐Hallpike maneuver. Symptoms of superior semicircular canal BPPV often resolve spontaneously; however, it can be refractory to repositioning maneuvers. Surgical management is described for posterior semicircular canal BPPV. To date, however, there is only one reported case of surgical management for superior semicircular canal BPPV. Here we show video documentation of positional, down‐beating nystagmus and describe a case of superior semicircular canal BPPV requiring canal occlusion with successful resolution of symptoms. Laryngoscope, 125:1965–1967, 2015
Phenolic antioxidants and their role in quenching of reactive molecular species in the human skin injury
Authors: Vasilchenko Liliya G. , Nyanhongo Gibson S. , Guebitz Georg M. , Ludwig Roland , Haltrich Dietmar
Published: January 2015

A large percentage of the population suffers from impaired wound healing related problems that are partly attributed to the continuous production and exposure of wounds to reactive species. The skin is prone to many adverse effects when e.g. damaged, exposed to ionizing UV radiation and/or environmental reactive pollutants. The reactive molecular species attacking the skin in excessive quantities quickly overwhelm tissue antioxidants and other oxidant‐degrading pathways. The uncontrolled release of these reactive species is involved in the oxidation of biomolecules including lipids which in turn results in a number of human skin disorders. Phenolic antioxidants are emerging as contenders removing reactive species produced in these chronic wounds, thus accelerating the healing process. Building on this knowledge, a novel physiologically active wound dressing containing both phenolic antioxidants and an enzyme (cellobiose dehydrogenase) for the continuous recycling of oxidized phenolic antioxidants has been developed recently. This novel approach should protect the wound from damage and will help to create ideal conditions for the successful healing of chronic wounds.
Some aspects of microstructural and dielectric properties of nanocrystalline CdS/poly(vinylidene fluoride) composite thin films
Authors: Bhunia Ritamay , Ghosh Dibyendu , Ghosh Barun , Hussain Shamima , Bhar Radhaballav , Pal Arun Kumar
Published: January 2015

Free‐standing flexible composite films of nanocrystalline cadmium sulfide‐impregnated poly(vinylidene fluoride) (nano‐CdS/PVDF) were prepared using a sol–gel technique. The effect of CdS loading, in the PVDF host matrix, on the dielectric properties was studied. An increase in dielectric constant (more than 10 times) was observed in the films when poled under an electric field. The composite films were also characterized using microstructural, Fourier transform infrared spectroscopy and X‐ray photoelectron spectroscopy measurements. © 2015 Society of Chemical Industry
Prediction of VH–VL domain orientation for antibody variable domain modeling
Authors: Bujotzek Alexander , Dunbar James , Lipsmeier Florian , Schäfer Wolfgang , Antes Iris , Deane Charlotte M. , Georges Guy
Published: January 2015

The antigen‐binding site of antibodies forms at the interface of their two variable domains, VH and VL, making VH–VL domain orientation a factor that codetermines antibody specificity and affinity. Preserving VH–VL domain orientation in the process of antibody engineering is important in order to retain the original antibody properties, and predicting the correct VH–VL orientation has also been recognized as an important factor in antibody homology modeling. In this article, we present a fast sequence‐based predictor that predicts VH–VL domain orientation with Q2 values ranging from 0.54 to 0.73 on the evaluation set. We describe VH–VL orientation in terms of the six absolute ABangle parameters that have recently been proposed as a means to separate the different degrees of freedom of VH–VL domain orientation. In order to assess the impact of adjusting VH–VL orientation according to our predictions, we use the set of antibody structures of the recently published Antibody Modeling Assessment (AMA) II study. In comparison to the original AMAII homology models, we find an improvement in the accuracy of VH–VL orientation modeling, which also translates into an improvement in the average root‐mean‐square deviation with regard to the crystal structures. Proteins 2015; 83:681–695. © 2015 Wiley Periodicals, Inc.
Structure of the terminal PCP domain of the non‐ribosomal peptide synthetase in teicoplanin biosynthesis
Authors: Haslinger Kristina , Redfield Christina , Cryle Max J.
Published: January 2015

The biosynthesis of the glycopeptide antibiotics, of which teicoplanin and vancomycin are representative members, relies on the combination of non‐ribosomal peptide synthesis and modification of the peptide by cytochrome P450 (Oxy) enzymes while the peptide remains bound to the peptide synthesis machinery. We have structurally characterized the final peptidyl carrier protein domain of the teicoplanin non‐ribosomal peptide synthetase machinery: this domain is believed to mediate the interactions with tailoring Oxy enzymes in addition to its function as a shuttle for intermediates between multiple non‐ribosomal peptide synthetase domains. Using solution state NMR, we have determined structures of this PCP domain in two states, the apo and the post‐translationally modified holo state, both of which conform to a four‐helix bundle assembly. The structures exhibit the same general fold as the majority of known carrier protein structures, in spite of the complex biosynthetic role that PCP domains from the final non‐ribosomal peptide synthetase module must play in glycopeptide antibiotic biosynthesis. These structures thus support the hypothesis that it is subtle rearrangements, rather than dramatic conformational changes, which govern carrier protein interactions and selectivity during non‐ribosomal peptide synthesis. Proteins 2015; 83:711–721. © 2015 Wiley Periodicals, Inc.
Shallow‐impurity‐related binding energy and linear optical absorption in ring‐shaped quantum dots and quantum‐well wires under applied electric field
Authors: Kohl Simon A. A. , Restrepo R. L. , Mora‐Ramos M. E. , Duque C. A.
Published: January 2015

The electronic states of two‐dimensional (2D) semiconductor quantum wells and quantum wires of disk‐ and ring‐like geometries, under the application of lateral static electric fields, are investigated. The effects of a shallow hydrogenic impurity on the energy levels of both the electron and hole states are reported and the respective binding energies are calculated. The eigenfunctions and eigenvalues of the Hamiltonian are retrieved under the effective mass approximation applying a direct matrix diagonalization scheme in conjunction with a 2D finite element method. A finite confinement potential is chosen for the structures, which are embedded in a 2D‐box bounded by a hard‐wall potential. It is shown that the first order optical absorption coefficient strongly depends on the geometrical parameters and external perturbations of the systems allowing for an optimization of the opto‐electronic properties through control of the latter.
Dendrimer‐entrapped metal colloids as imaging agents
Authors: Li Du , Wen Shihui , Shi Xiangyang
Published: January 2015

This review reports the recent advances in dendrimer‐entrapped metal colloids as contrast agents for biomedical imaging applications. The versatile dendrimer scaffolds with 3‐dimensional spherical shape, highly branched internal cavity, tunable surface conjugation chemistry, and excellent biocompatibility and nonimmunogenicity afford their uses as templates to create multifunctional dendrimer‐entrapped metal colloids for mono‐ or multi‐ mode molecular imaging applications. In particular, multifunctional dendrimer‐entrapped gold nanoparticles with different surface modifications have been used for fluorescence imaging, targeted tumor computed tomography (CT) imaging, enhanced blood pool CT imaging, dual mode CT/MR imaging, and tumor theranostics (combined CT imaging and chemotherapy) will be introduced and discussed in detail. WIREs Nanomed Nanobiotechnol 2015, 7:678–690. doi: 10.1002/wnan.1331

This article is categorized under:

Diagnostic Tools > Diagnostic Nanodevices

Diagnostic Tools > In Vivo Nanodiagnostics and Imaging

Nanotechnology Approaches to Biology > Nanoscale Systems in Biology
Community‐Based Arts Initiatives: Exploring the Science of the Arts
Authors: Stein Catherine H. , Faigin David A.
Published: January 2015

In this introduction to the special issue, we describe some of the rewards and challenges of community‐based arts initiatives for our discipline. We explore the inherent tensions between art and science that are reflected in community‐based arts activities. We pose larger questions about researching community‐based arts activities and defining the arts as a means of promoting social change. The diversity of populations, settings, and issues represented by the papers in the special issue are described and a common set of values, methods of inquiry and action are discussed.
Selection Bias in the Link Between Child Wantedness and Child Survival: Theory and Data From Matlab, Bangladesh
Authors: Bishai David , Razzaque Abdur , Christiansen Susan , Mustafa A. H. M. Golam , Hindin Michelle
Published: January 2015

We examine the potential effects of selection bias on the association between unwanted births and child mortality from 7,942 women from Matlab, Bangladesh who declared birth intentions in 1990 prior to conceiving pregnancies. We explore and test two opposing reasons for bias in the distribution of observed births. First, some women who report not wanting more children could face starvation or frailty; and if these women are infecund, the remaining unwanted births would appear more healthy. Second, some women who report not wanting more children could have social privileges in acquiring medical services, abortion, and contraceptives; and if these women avoid births, the remaining unwanted births would appear less healthy. We find (1) no overall effect of unwantedness on child survival in rural Bangladesh in the 1990s, (2) no evidence that biological processes are spuriously making the birth cohort look more healthy, and (3) some evidence that higher schooling for women who avoid unwanted births is biasing the observed sample to make unwanted births look less healthy. Efforts to understand the effect of unwantedness in data sets that do not control for complex patterns of selective birth may be misleading and require more cautious interpretation.
Statins and brain integrity in older adults: Secondary analysis of the Health ABC study
Authors: Nadkarni Neelesh K. , Perera Subashan , Hanlon Joseph T. , Lopez Oscar , Newman Anne B. , Aizenstein Howard , Elam Marshall , Harris Tamara B. , Kritchevsky Stephen , Yaffe Kristine , Rosano Caterina
Published: January 2015

Introduction

We examined whether statins are associated with better cerebral white (WM) and gray matter (GM) indices in community‐dwelling elders.

Methods

In 295 older adults, we compared white matter hyperintensities (WMH) on brain magnetic resonance imaging and, total WM fractional anisotropy (FA) and GM mean diffusivity (MD) on diffusion tensor imaging, of Alzheimer's disease (AD) relevant regions in statin‐exposed and statin‐unexposed participants stratified by Modified Mini‐Mental Status Examination (3MS) score.

Results

There was no overall effect of statin exposure on cerebral structural indices. The interaction between statin exposure and 3MS was significant for total‐WMH and WM FA (both P < .05) but not GM MD. In the lowest 3MS tertile (mean: 86), statin‐exposed individuals had lower total‐WMH and higher WM FA (P = .005 and P = .044) and FA of tracts linked to clinical AD (P‐value range= .005–.04) despite statistical adjustments. These differences were not significant in the two higher 3MS tertiles.

Discussion

Statins may benefit WM in older adults vulnerable to dementia.
Combining High-Resolution Contact Data with Virological Data to Investigate Influenza Transmission in a Tertiary Care Hospital
Authors: Voirin Nicolas , Payet Cécile , Barrat Alain , Cattuto Ciro , Khanafer Nagham , Régis Corinne , Kim Byeul-a , Comte Brigitte , Casalegno Jean-Sébastien , Lina Bruno , Vanhems Philippe
Published: January 2015

OBJECTIVE

Contact patterns and microbiological data contribute to a detailed understanding of infectious disease transmission. We explored the automated collection of high-resolution contact data by wearable sensors combined with virological data to investigate influenza transmission among patients and healthcare workers in a geriatric unit.

DESIGN

Proof-of-concept observational study. Detailed information on contact patterns were collected by wearable sensors over 12 days. Systematic nasopharyngeal swabs were taken, analyzed for influenza A and B viruses by real-time polymerase chain reaction, and cultured for phylogenetic analysis.

SETTING

An acute-care geriatric unit in a tertiary care hospital.

PARTICIPANTS

Patients, nurses, and medical doctors.

RESULTS

A total of 18,765 contacts were recorded among 37 patients, 32 nurses, and 15 medical doctors. Most contacts occurred between nurses or between a nurse and a patient. Fifteen individuals had influenza A (H3N2). Among these, 11 study participants were positive at the beginning of the study or at admission, and 3 patients and 1 nurse acquired laboratory-confirmed influenza during the study. Infectious medical doctors and nurses were identified as potential sources of hospital-acquired influenza (HA-Flu) for patients, and infectious patients were identified as likely sources for nurses. Only 1 potential transmission between nurses was observed.

CONCLUSIONS

Combining high-resolution contact data and virological data allowed us to identify a potential transmission route in each possible case of HA-Flu. This promising method should be applied for longer periods in larger populations, with more complete use of phylogenetic analyses, for a better understanding of influenza transmission dynamics in a hospital setting.

Infect Control Hosp Epidemiol 2015;00(0): 1–7
Clinical Predictors for Laboratory-Confirmed Influenza Infections: Exploring Case Definitions for Influenza-Like Illness
Authors: Shah Shital C. , Rumoro Dino P. , Hallock Marilyn M. , Trenholme Gordon M. , Gibbs Gillian S. , Silva Julio C. , Waddell Michael J.
Published: January 2015

OBJECTIVE

To identify clinical signs and symptoms (ie, “terms”) that accurately predict laboratory-confirmed influenza cases and thereafter generate and evaluate various influenza-like illness (ILI) case definitions for detecting influenza. A secondary objective explored whether surveillance of data beyond the chief complaint improves the accuracy of predicting influenza.

DESIGN

Retrospective, cross-sectional study.

SETTING

Large urban academic medical center hospital.

PARTICIPANTS

A total of 1,581 emergency department (ED) patients who received a nasopharyngeal swab followed by rRT-PCR testing between August 30, 2009, and January 2, 2010, and between November 28, 2010, and March 26, 2011.

METHODS

An electronic surveillance system (GUARDIAN) scanned the entire electronic medical record (EMR) and identified cases containing 29 clinical terms relevant to influenza. Analyses were conducted using logistic regressions, diagnostic odds ratio (DOR), sensitivity, and specificity.

RESULTS

The best predictive model for identifying influenza for all ages consisted of cough (DOR=5.87), fever (DOR=4.49), rhinorrhea (DOR=1.98), and myalgias (DOR=1.44). The 3 best case definitions that included combinations of some or all of these 4 symptoms had comparable performance (ie, sensitivity=89%–92% and specificity=38%–44%). For children <5 years of age, the addition of rhinorrhea to the fever and cough case definition achieved a better balance between sensitivity (85%) and specificity (47%). For the fever and cough ILI case definition, using the entire EMR, GUARDIAN identified 37.1% more influenza cases than it did using only the chief complaint data.

CONCLUSIONS

A simplified case definition of fever and cough may be suitable for implementation for all ages, while inclusion of rhinorrhea may further improve influenza detection for the 0–4-year-old age group. Finally, ILI surveillance based on the entire EMR is recommended.

Infect Control Hosp Epidemiol 2015;00(0): 1–8
Substantial Variation in Hospital Rankings after Adjusting for Hospital-Level Predictors of Publicly-Reported Hospital-Associated Clostridium difficile Infection Rates
Authors: Datta Rupak , Kazerouni N. Neely , Rosenberg Jon , Nguyen Vinh Q. , Phelan Michael , Billimek John , Cao Chenghua , McLendon Patricia , Cummings Kate , Huang Susan S.
Published: January 2015

Across 366 California hospitals, we identified hospital-level characteristics predicting increased hospital-associated Clostridium difficile infection (HA-CDI) rates including more licensed beds, teaching and long-term acute care (LTAC) hospitals, and polymerase chain reaction testing. Adjustment for these characteristics impacted rankings in 24% of teaching hospitals, 13% of community hospitals, and 11% of LTAC hospitals.

Infect Control Hosp Epidemiol 2015;00(0): 1–3
Effects of dietary neutral detergent fibre to protein ratio on duodenal microbial nitrogen flow and nitrogen losses in lactating cows fed high-concentrate total mixed rations with different forage combinations
Authors: REN Q. C. , JIN X. , ZHANG Z. H. , YANG H. J. , LI S. L.
Published: January 2015

The objective of the present study was to investigate the effect of dietary neutral detergent fibre (NDF) : crude protein (CP) ratio on duodenal microbial crude protein (MCP) flow and nitrogen (N) losses. The study was completed in a 5 × 5 Latin square design with five lactating Holstein dairy cows and 5 high-concentrate total mixed rations (TMR) with different forage combinations, typical for Northern China. The rations with a fixed forage-to-concentrate ratio (39 : 61) resulted in different dietary NDF : CP ratios: TMR1 3·03 : 1 (428·2 g NDF/kg : 141·4 g CP/kg); TMR2 2·74 : 1 (392·7 g NDF/kg : 143·2 g CP/kg); TMR3 2·55 : 1 (368·3 g NDF/kg : 144·4 g CP/kg); TMR4 1·84 : 1 (304·8 g NDF/kg : 165·8 g CP/kg); TMR5 1·60 : 1 (285·0 g NDF/kg : 178·0 g CP/kg). Rumen content, milk, blood, urine and faeces were sampled on the last 3 days of five 18-day periods. Purine derivatives in the urine samples were determined to estimate rumen MCP flow into the small intestine. Milk yield and milk protein yield increased linearly with decreasing dietary NDF : CP ratio although slight differences in dry matter intake were observed due to feed intake restriction. Diurnal ammonia N in the rumen and duodenal MCP flow increased linearly, but blood urea N, urinary N and faecal N linearly decreased with decreasing dietary NDF : CP ratio. The enhanced N utilization in the maize-silage-based TMRs (TMR4–5) in comparison with maize-stover-based TMRs (TMR1–3) increased milk yield and the synthesis of milk protein instead of milk fat in the lactating cows, probably due to high transfer of ammonia N into rumen MCP with a considerable increase of dietary non-fibre carbohydrate content and the decrease of NDF : CP ratio. The present results indicate that not only increasing dietary non-structural carbohydrate content but also adjusting the ratio of structural carbohydrate to CP ratio are important diet formulation strategies for mitigating N losses in lactating cows.
Quasi-static free-boundary equilibrium of toroidal plasma with CEDRES++: Computational methods and applications
Authors: Heumann H. , Blum J. , Boulbe C. , Faugeras B. , Selig G. , Ané J.-M. , Brémond S. , Grandgirard V. , Hertout P. , Nardon E.
Published: January 2015

We present a comprehensive survey of various computational methods in CEDRES++ (Couplage Equilibre Diffusion Résistive pour l'Etude des Scénarios) for finding equilibria of toroidal plasma. Our focus is on free-boundary plasma equilibria, where either poloidal field coil currents or the temporal evolution of voltages in poloidal field circuit systems are given data. Centered around a piecewise linear finite element representation of the poloidal flux map, our approach allows in large parts the use of established numerical schemes. The coupling of a finite element method and a boundary element method gives consistent numerical solutions for equilibrium problems in unbounded domains. We formulate a new Newton method for the discretized nonlinear problem to tackle the various nonlinearities, including the free plasma boundary. The Newton method guarantees fast convergence and is the main building block for the inverse equilibrium problems that we can handle in CEDRES++ as well. The inverse problems aim at finding either poloidal field coil currents that ensure a desired shape and position of the plasma or at finding the evolution of the voltages in the poloidal field circuit systems that ensure a prescribed evolution of the plasma shape and position. We provide equilibrium simulations for the tokamaks ITER and WEST to illustrate the performance of CEDRES++ and its application areas.
Effective results for unit points on curves over finitely generated domains
Authors: BÉRCZES ATTILA
Published: January 2015

LetAbe a commutative domain of characteristic 0 which is finitely generated over ℤ as a ℤ-algebra. Denote byA* the unit group ofAand byKthe algebraic closure of the quotient fieldKofA. We shall prove effective finiteness results for the elements of the set\begin{equation*} \mathcal{C}:=\{ (x,y)\in (A^*)^2 | F(x,y)=0 \} \end{equation*}whereF(X, Y) is a non-constant polynomial with coefficients inAwhich is not divisible overKby any polynomial of the formXmYn- αorXm- α Yn, withm, n∈ ℤ⩾0, max(m, n) > 0, α ∈K*. This result is a common generalisation of effective results of Evertse and Győry [12] onS-unit equations over finitely generated domains, of Bombieri and Gubler [5] on the equationF(x, y) = 0 overS-units of number fields, and it is an effective version of Lang's general but ineffective theorem [20] on this equation over finitely generated domains. The conditions thatAis finitely generated andFis not divisible by any polynomial of the above type are essentially necessary.
The geographic and seasonal potential distribution of the little known Fuertes’s OrioleIcterus fuertesi
Authors: TOBÓN-SAMPEDRO ARIADNA , ROJAS-SOTO OCTAVIO R.
Published: January 2015

Endemic species and those with restricted distribution ranges are a priority and national responsibility for global conservation. Fuertes’s OrioleIcterus fuertesiis a Mexican endemic species and is perhaps one of the least known birds in the country. It has traditionally been regarded as conspecific with the Orchard OrioleI. spurius, but recently it has been suggested that it is a distinct species, causing concern about its risk status. There is a scarcity of information related to the geographic and seasonal distribution of Fuertes’s Oriole, as well as a lack of information regarding its abundance and habitat preferences. We gathered all the available records, and used ecological niche modelling to analyse the spatial and temporal patterns of the distribution of the species. We also carried out field surveys in the surroundings of known locations of the species in order to determine its abundance. We found that the species is narrowly and locally restricted to the surroundings of eight localities along the Gulf coast of Mexico that constitute small and discontinuous areas of presence. We also found no evidence of migration to the Pacific Coast in winter, as has been historically thought. Instead, our results suggest that the species exhibits a short-distance migration, with northern populations migrating to the southern range along the Gulf coast of Mexico. Analysis of abundance and field observations confirm that the species is restricted to highly modified wetland landscapes associated with urban and semi-urban habitats. Based on these results, we suggest the urgent reassignment of its risk category.