bluuebunny/crossref_metadata_2025 huggingface dataset:
3D Bioprinting of complex channels—Effects of material, orientation, geometry, and cell embedding
Authors: Wüst Silke , Müller Ralph , Hofmann Sandra
Published: December 2014

Creating filled or hollow channels within 3D tissues has become increasingly important in tissue engineering. Channels can serve as vasculature enhancing medium perfusion or as conduits for nerve regeneration. The 3D biofabrication seems to be a promising method to generate these structures within 3D constructs layer‐by‐layer. In this study, geometry and interface of bioprinted channels were investigated with micro‐computed tomography and fluorescent imaging. In filament printing, size and shape of printed channels are influenced by their orientation, which was analyzed by printing horizontally and vertically aligned channels, and by the ink, which was evaluated by comparing channels printed with an alginate‐gelatin hydrogel or with an emulsion. The influence of geometry and cell‐embedding in the hydrogel on feature size and shape was investigated by printing more complex channels. The generation of hollow channels, induced through leaching of a support phase, was monitored over time. Horizontally aligned channels provided 16× smaller cross‐sectional areas than channels in vertical orientation. The smallest feature size of hydrogel filaments was twice as large compared to emulsion filaments. Feature size and shape depended on the geometry but did not alter when living cells were embedded. With that knowledge, channels can be consciously tailored to the particular needs. © 2014 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 103A: 2558–2570, 2015.
A Simple Green Protocol for the Condensation of Anthranilic Hydrazide with Cyclohexanone and N‐Benzylpiperidinone in Water
Authors: Miklós Ferenc , Fülöp Ferenc
Published: December 2014

An environmentally benign condensation of anthranilic hydrazide with cyclohexanone or N‐benzylpiperidin‐4‐one in aqueous medium has been developed for the synthesis of benzoylhydrazones A. The thermal rearrangements of hydrazones A yielded 3′‐aminospiro‐quinazolinones B. When A or B was reacted repeatedly with cyclohexanone or N‐benzylpiperidin‐4‐one, spiroquinazoline‐hydrazones C were formed. From aqueous suspensions, products could be isolated in high purity by simple filtration.
Polymers and Ionic Liquids: A Successful Wedding
Authors: Livi Sébastien , Duchet‐Rumeau Jannick , Gérard Jean‐François , Pham Thi Nhan
Published: December 2014

In the last few years, polymer materials scientists have put a lot of effort into the design of poly­mer‐based materials, tailored from the nanometer scale via the introduction of block copolymers, ionomers, or inorganic‐rich nano‐objects in order to introduce functionalities such as mechanical reinforcement, gas barrier properties, fire retardancy, etc. In the last decade, ionic liquids (ILs) have moved from relative obscurity to something that most chemists are now very aware of. At present, the interest in ILs shows a continuous increase and they are being examined as new components within polymer‐based materials for a wide range of applications of advanced materials. The unique set of physico‐chemical properties of ILs finely tuned from their chemical structure makes them suitable in numerous applications in polymer science. ILs can be investigated as additives in the design of polymer materials, as novel electrolytes in batteries, as structuration agents of polymer matrices, and as processing aids, plasticizers, and surfactants in the preparation of functional polymers.

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Solution‐Processable Donor‐Acceptor‐Donor Oligomers with Cross‐Linkable Functionality
Authors: Brotas Graça , Costa Cristiana , Dias Sandra I. G. , Costa Pedro M. M. , Di Paolo Roberto E. , Martins João , Farinhas Joana , Alcácer Luís , Morgado Jorge , Matos Manuel , Charas Ana
Published: December 2014

Electron‐acceptor units, combined with bithiophene substituted with flexible chains end‐functionalized with cross‐linkable moieties, provide soluble donor‐acceptor‐donor (DAD) π‐conjugated oligomer‐type molecules with cross‐linking ability and broad absorption in the visible spectrum. A study on the cross‐linking conditions of the new oligomers to yield insoluble polymer networks is presented, including conditions for obtaining polymer films over poly(3,4‐ethylenedioxythiophene):polystyrene sulfonate‐covered substrates. The combination of the DAD molecular design and cross‐linking functionality opens prospects for applications in solution‐processed small‐molecule solar cells with morphologically‐stable organic layers.

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Using an FSDS-R Item to Screen for Sexually Related Distress: A MsFLASH Analysis
Authors: Carpenter Janet S. , Reed Susan D. , Guthrie Katherine A. , Larson Joseph C. , Newton Katherine M. , Lau R. Jane , Learman Lee A. , Shifren Jan L.
Published: December 2014

Introduction

The Female Sexual Distress Scale-Revised (FSDS-R) was created and validated to assess distress associated with impaired sexual function, but it is lengthy for use in clinical practice and research when assessing sexual function is not a primary objective.

Aim

The study aims to evaluate whether a single item from the FSDS-R could be identified to use to screen midlife women for bothersome diminution in sexual function based on three criteria: (i) highly correlated with total scores; (ii) correlated with commonly assessed domains of female sexual functioning; and (iii) able to differentiate between women reporting high and low sexual concerns during the prior month.

Methods

Data from 93 midlife women were collected by the Menopause Strategies Finding Lasting Answers to Symptoms and Health (MsFLASH) research network.

Main Outcome Measures

Women completed the FSDS-R, Female Sexual Function Index (FSFI), and Menopausal Quality of Life Scale (MENQOL). Those who reported a change in the past month on the MENQOL sexual were categorized into a high sexual concerns group, while all others were categorized into a low sexual concerns group.

Results

Women were an average of 54.6 years old (SD 3.1) and mostly Caucasian (77.4%), college educated (60.2%), married/living as married (64.5%), and postmenopausal (79.6%). The FSDS-R item number 1 “Distressed about sex life” was: (i) highly correlated with FSDS-R total scores (r = 0.90); (ii) moderately correlated with FSFI total scores (r = −0.38) and FSFI desire (r = −0.37) and satisfaction domains (r = −0.40); and (iii) showed one of the largest mean differences between high and low sexual concerns groups (P < 0.001). Other FSDS-R items met one or two, but not all three of the prespecified criteria (i, ii, iii).

Conclusions

A single FSDS-R item may be a useful screening tool to quickly identify midlife women with sexually related distress when it is not feasible to administer the entire scale, though further validation is warranted.
Influence of axial tension on the shear strength of floor joists without transverse reinforcement
Authors: Fernández‐Montes David , González Valle Enrique , Díaz Heredia Elena
Published: December 2014

The mechanism governing shear strength in reinforced concrete members without transverse reinforcement subjected to both bending and tensile stress is complex. Further, formulas used to estimate shear failure are inconsistent with each other and do not fit well with experimental findings. This article highlights the differences between the results of experimental tests and the shear strength values estimated with the equations of ACI 318‐11, Eurocode 2 (EC2) and modified compression field theory (MCFT). The tests considered are the ones reported in the literature consulted and the tests carried out for this experimental investigation, some with high‐performance concrete. The review also puts forward a proposal for improving the method and fitting procedure when estimating the shear failure in a longitudinal reinforced concrete member without transverse reinforcement due to an excessive principal tensile stress in its web.
Determination of optimal timing of serial in‐utero transfusions in red‐cell alloimmunization
Authors: Friszer S. , Maisonneuve E. , Macé G. , Castaigne V. , Cortey A. , Mailloux A. , Pernot F. , Carbonne B.
Published: December 2014

Objectives

To assess the performance of middle cerebral artery peak systolic velocity (MCA‐PSV) and of the expected daily decrease in fetal hemoglobin in determining the timing of serial in‐utero transfusions (IUT) in red‐cell alloimmunization.

Methods

This was a retrospective study of a continuous series of suspected anemic fetuses undergoing IUT between June 2003 and December 2012. Doppler measurement of MCA‐PSV and pre‐ and post‐transfusion hemoglobin levels were recorded at the time of the first, second and third IUT. Receiver–operating characteristics (ROC) curves and negative and positive predictive values of MCA‐PSV in the prediction of severe fetal anemia were calculated. The daily decrease of fetal hemoglobin (Hb) between IUTs was calculated. Regression analysis was used to assess the correlation between pretransfusion fetal hemoglobin and MCA‐PSV, and between observed and expected (by projection of daily decreases) pretransfusion fetal hemoglobin levels.

Results

One hundred and eleven fetuses required an IUT, of which 96 and 67 received a second and third IUT, respectively. The area under the ROC curve for MCA‐PSV in the prediction of severe fetal anemia was not different for each rank of transfusion. The positive predictive value of MCA‐PSV decreased from 75.3% at the first IUT, to 46.7% and 48.8% at the second and third IUTs, respectively, while the negative predictive value for a 1.5‐MoM threshold remained high (88.9% at the second and 91.7% at the third IUT). The mean daily decrease in hemoglobin following each transfusion was 0.45, 0.35 and 0.32 g/dL, respectively. There was a persistent linear correlation between fetal hemoglobin and MCA‐PSV and between observed and expected fetal hemoglobin levels.

Conclusions

Both MCA‐PSV and projection of daily decrease in hemoglobin are reliable means of diagnosing fetal anemia following previous IUTs. The high negative predictive value of MCA‐PSV could allow subsequent IUTs to be postponed in selected cases. Copyright © 2014 ISUOG. Published by John Wiley & Sons Ltd.
Structure and function of G protein‐coupled receptor oligomers: implications for drug discovery
Authors: Schonenbach Nicole S. , Hussain Sunyia , O'Malley Michelle A.
Published: December 2014

G protein‐coupled receptor (GPCR) oligomers are promising targets for the design of new highly selective therapeutics. GPCRs have historically been attractive drug targets for their role in nearly all cellular processes, and their localization at the cell surface makes them easily accessible to most small molecule therapeutics. However, GPCRs have traditionally been considered a monomeric entity, a notion that greatly oversimplifies their function. As evidence accumulates that GPCRs tune function through oligomer formation and protein–protein interactions, we see a greater demand for structural information about these oligomers to facilitate oligomer‐specific drug design. These efforts are slowed by difficulties inherent to studying membrane proteins, such as low expression yield, in vitro stability and activity. Such obstacles are amplified for the study of specific oligomers, as there are limited tools to directly isolate and characterize these receptor complexes. Thus, there is a need to develop new interdisciplinary approaches, combining biochemical and biophysical techniques, to address these challenges and elucidate structural details about the oligomer and ligand binding interfaces. In this review, we provide an overview of mechanistic models that have been proposed to underlie the function of GPCR oligomers, and perspectives on emerging techniques to characterize GPCR oligomers for structure‐based drug design. WIREs Nanomed Nanobiotechnol 2015, 7:408–427. doi: 10.1002/wnan.1319

This article is categorized under:

Therapeutic Approaches and Drug Discovery > Emerging Technologies

Nanotechnology Approaches to Biology > Nanoscale Systems in Biology
Veterinary homeopathy: meta-analysis of randomised placebo-controlled trials
Authors: Mathie Robert T. , Clausen Jürgen
Published: December 2014

Background:
Meta-analysis of randomised controlled trials (RCTs) of veterinary homeopathy has not previously been undertaken. For all medical conditions and species collectively, we tested the hypothesis that the outcome of homeopathic intervention (treatment and/or prophylaxis, individualised and/or non-individualised) is distinguishable from corresponding intervention using placebos.

Methods:
All facets of the review, including literature search strategy, study eligibility, data extraction and assessment of risk of bias, were described in an earlier paper. A trial was judged to comprise reliable evidence if its risk of bias was low or was unclear in specific domains of assessment. Effect size was reported as odds ratio (OR). A trial was judged free of vested interest if it was not funded by a homeopathic pharmacy. Meta-analysis was conducted using the random-effects model, with hypothesis-driven sensitivity analysis based on risk of bias.

Results:
Nine of 15 trials with extractable data displayed high risk of bias; low or unclear risk of bias was attributed to each of the remaining six trials, only two of which comprised reliable evidence without overt vested interest. For all N = 15 trials, pooled OR = 1.69 [95% confidence interval (CI), 1.12 to 2.56]; P = 0.01. For the N = 2 trials with suitably reliable evidence, pooled OR = 2.62 [95% CI, 1.13 to 6.05]; P = 0.02).

Conclusions:
Meta-analysis provides some very limited evidence that clinical intervention in animals using homeopathic medicines is distinguishable from corresponding intervention using placebos. The low number and quality of the trials hinders a more decisive conclusion.
High energy density physics at the Atomic Weapons Establishment
Authors: Randewich Andrew , Danson Colin
Published: December 2014

The Atomic Weapons Establishment (AWE) is tasked with supporting Continuous At Sea Deterrence (CASD) by certifying the performance and safety of the national deterrent in the Comprehensive Test Ban Treaty (CTBT) era. This means that recourse to further underground testing is not possible, and certification must be achieved by supplementing the historical data with the use of computer calculation. In order to facilitate this, AWE operates some of the largest supercomputers in the UK. To validate the computer codes, and indeed the designers who are using them, it is necessary to carry out further experiments in the right regimes. An excellent way to meet many of the requirements for material property data and to provide confidence in the validity of the algorithms is through experiments carried out on high power laser facilities.
Assuming niceness: private and public relationships in Drake'sNothing Was the Same
Authors: Singh Kris , Tracy Dale
Published: December 2014

As an artist understood to be foregrounding in hip hop topics such as the emotional experience of private relationships, Drake has the opportunity to shape the conceptions of masculinity that are especially hardened in the context of male rappers. Recognised for his niceness in terms of rap skill and personal decentness, Drake has established himself as a genuine person making intimate connections with his fans. However, this image depends on his disregard, in his interviews and his albums, for the effects of the commercialised hip hop genre on his music and his message. Although he presents himself as a model for his generation, this discounting of context limits Drake's possibilities as a public figure.
Nuuk underground: musical change and cosmopolitan nationalism in Greenland
Authors: Otte Andreas
Published: December 2014

In Nuuk, the capital of Greenland, there have been a significant number of musical events in recent years that have been called ‘underground’. These have formed an underground scene that offered a cosmopolitan alternative to established ‘greenlandificated’ popular music. This paper accounts for the building of this underground scene by Nuuk youth, and asks why these young people valued musical change informed by a cosmopolitan outlook, while at the same time holding firmly to the conviction that their activities were a part of the dominant Greenlandic nation-building project. Social agents, which played key roles in building the Nuuk underground scene, described their activities as attempts to come to terms with a history in which Greenland has been perceived as a subaltern nation. This enquiry explains the nationalist logic behind a concern with performing similarity with Western nations in the Nuuk underground scene, as opposed to the more widespread romantic nationalist logic concerned with expressing a distinguishable national character. This further leads to an expansion of a position of cosmopolitan nationalism.
Right ventricular failure with high echoic ventricular wall change after foetoscopic laser photocoagulation: a case report of a donor in twin-to-twin transfusion syndrome
Authors: Mineo Eri , Honda Takashi , Ishii Masahiro
Published: December 2014

The introduction of foetoscopic laser photocoagulation has dramatically improved the prognosis of patients with severe twin-to-twin transfusion syndrome. We present the case of a donor who exhibited right-heart failure with a high echoic wall change of the right ventricle after the foetoscopic laser photocoagulation procedure. The prenatal and 1-year postnatal follow-up revealed the gradual recovery of the right ventricular function.
What Does a City Sound Like? The Musical Dynamics of a Colonial Settler City
Authors: Gramit David
Published: December 2014

A study of public musical life in Edmonton, Alberta from the 1897 Diamond Jubilee of Queen Victoria through the beginning of World War I provides a case study in the development of new urban musical cultures during the settlement of western North America. The contrast between the Jubilee celebration and Alberta's inauguration as a province in 1905 reveals growing ambition to demonstrate a capacity for the serious music that could be viewed as a marker of civic achievement, and the absence in 1905 of First Nations dancers and drummers, who had taken part in the 1897 event, provides a reminder of the displacement of indigenous peoples that accompanied the immigration booms that characterized settler colonialism. Popular music too developed with the city; as an alternative to non-literate, rural practices like fiddling, it could represent another form of urban sophistication, but also provided an opportunity to import high culture's dismissal of the popular, yet another signifier of urban cultural practice.
Maladaptive Family Dysfunction and Parental Death as Risk Markers of Childhood Abuse in Women
Authors: Plaza Anna , Torres Anna , Ascaso Carlos , Navarro Purificación , Gelabert Estel , Imaz Maria Luisa , Martín-Santos Rocío , Valdés Manuel , García-Esteve Lluïsa
Published: December 2014

This study aims to examine the prevalence and characteristics of physical, emotional and sexual childhood abuse. It also examines whether other non-abuse types of childhood adversities related to maladaptive family functioning and separations during childhood can be used as markers for the presence of childhood abuse. Participants (N = 237) were women at 2–3 days after delivery that completed the Spanish-validated version of the Early Trauma Inventory Self Report (ETI-SR; Bremner, Bolus, & Mayer, 2007; Plaza et al., 2011), designed to assess the presence of childhood adversities. Results show that 29% of the women had experienced some type of childhood abuse, and 10% more than one type. Logistic regression analyses indicate that childhood parental death is a risk marker for childhood emotional abuse (OR: 3.77; 95% CI: 1.327–10.755; p <.013), childhood parental substance abuse is a risk marker for childhood sexual (OR: 3.72; 95% CI: 1.480–9.303; p < .005) and physical abuse (OR: 2.610; 95% CI: 1.000–6.812; p < .05) and that childhood family mental illness is a risk marker for childhood emotional (OR: 2.95; 95% CI: 1.175–7.441; p < .021) and sexual abuse (OR: 2.55; 95% CI: 1.168–5.580; p < .019). The high prevalence of childhood abuse indicates a need for assessment during the perinatal period. Screening for childhood family mental illness, parental substance abuse, and parental death - all identified risk factors for reporting childhood abuse - can help to identify women that should be assessed specifically regarding abuse.
The Influence of Transfer Climate and Job Attitudes on the Transfer Process
Authors: Peters Stéphanie , Cossette Michel , Bates Reid , Holton Edward , Hansez Isabelle , Faulx Daniel
Published: December 2014

This study investigates the impact job satisfaction, job involvement, organizational commitment, and transfer climate on the training transfer process. Training transfer refers to the application of the new learning and to performance at work. A two-time data collection was implemented among employees of a public health insurance company who attended professional training programs (N = 118). Data analysis revealed that (1) job involvement negatively influenced transfer, (2) peer support positively influenced transfer, (3) openness to change had a negative relationship with transfer, and (4) these three predictors have an indirect effect on performance at work.
The Escherichia coli effector EspJ blocks Src kinase activity via amidation and ADP ribosylation
Authors: Young Joanna C. , Clements Abigail , Lang Alexander E. , Garnett James A. , Munera Diana , Arbeloa Ana , Pearson Jaclyn , Hartland Elizabeth L. , Matthews Stephen J. , Mousnier Aurelie , Barry David J. , Way Michael , Schlosser Andreas , Aktories Klaus , Frankel Gad
Published: December 2014

The hallmark of enteropathogenic Escherichia coli (EPEC) infection is the formation of actin-rich pedestal-like structures, which are generated following phosphorylation of the bacterial effector Tir by cellular Src and Abl family tyrosine kinases. This leads to recruitment of the Nck–WIP–N-WASP complex that triggers Arp2/3-dependent actin polymerization in the host cell. The same phosphorylation-mediated signalling network is also assembled downstream of the Vaccinia virus protein A36 and the phagocytic Fc-gamma receptor FcγRIIa. Here we report that the EPEC type-III secretion system effector EspJ inhibits autophosphorylation of Src and phosphorylation of the Src substrates Tir and FcγRIIa. Consistent with this, EspJ inhibits actin polymerization downstream of EPEC, Vaccinia virus and opsonized red blood cells. We identify EspJ as a unique adenosine diphosphate (ADP) ribosyltransferase that directly inhibits Src kinase by simultaneous amidation and ADP ribosylation of the conserved kinase-domain residue, Src E310, resulting in glutamine-ADP ribose.
A simplified memory network model based on pattern formations
Authors: Xu Kesheng , Zhang Xiyun , Wang Chaoqing , Liu Zonghua
Published: December 2014

Many experiments have evidenced the transition with different time scales from short-term memory (STM) to long-term memory (LTM) in mammalian brains, while its theoretical understanding is still under debate. To understand its underlying mechanism, it has recently been shown that it is possible to have a long-period rhythmic synchronous firing in a scale-free network, provided the existence of both the high-degree hubs and the loops formed by low-degree nodes. We here present a simplified memory network model to show that the self-sustained synchronous firing can be observed even without these two necessary conditions. This simplified network consists of two loops of coupled excitable neurons with different synaptic conductance and with one node being the sensory neuron to receive an external stimulus signal. This model can be further used to show how the diversity of firing patterns can be selectively formed by varying the signal frequency, duration of the stimulus and network topology, which corresponds to the patterns of STM and LTM with different time scales. A theoretical analysis is presented to explain the underlying mechanism of firing patterns.
Label-free aptasensor for adenosine deaminase sensing based on fluorescence turn-on
Authors: Zeng X. , Wang C. , Li Y. X. , Li X. X. , Su Y. Y. , An J. , Tang Y. L.
Published: December 2014

A label-free strategy was developed for ADA sensing based on picagreen fluorescence turn-on, which is cost-effective, simple and homogeneous.
Magnetic nanoparticles coated with dithizone-modified chitosan for use in solid-phase extraction of copper(ii)
Authors: Zhang Lei , Xiong Zhichao , Zhang Lingyi , Yu Bohao , Zhang Weibing
Published: December 2014

Novel magnetic nanoparticles coated with dithizone-modified chitosan were prepared. The magnetic adsorbent for magnetic solid-phase extraction was successfully applied to detection of trace copper(ii) ion by graphite furnace atomic absorption spectrometry.
Engineering supramolecular organic frameworks (SOFs) of C-alkylpyrogallol[4]arene with bipyridine-based spacers
Authors: Patil Rahul S. , Kumari Harshita , Barnes Charles L. , Atwood Jerry L.
Published: December 2014

Supramolecular organic frameworks (SOFs) based on pyrogallol[4]arene and 4,4′-bipyridine-type spacer molecules have been investigated.
Achieving the photon up-conversion thermodynamic yield upper limit by sensitized triplet–triplet annihilation
Authors: Hoseinkhani S. , Tubino R. , Meinardi F. , Monguzzi A.
Published: December 2014

Triplet–triplet annihilation (TTA) based up-conversion is a promising strategy for light harvesting the low-energy tail of the solar spectrum in photovoltaic technologies.
The effect of negative pressure aging on the aggregation of Cu2O nanoparticles and its application to laser induced copper electrode fabrication
Authors: Lee H. S. , Yang M. Y.
Published: December 2014

The aggregation and dispersion of nanoparticles are critical problems in selective laser sintering.
Dendritic glycopolymers based on dendritic polyamine scaffolds: view on their synthetic approaches, characteristics and potential for biomedical applications
Authors: Appelhans Dietmar , Klajnert-Maculewicz Barbara , Janaszewska Anna , Lazniewska Joanna , Voit Brigitte
Published: December 2014

The potential of dendritic glycopolymers based on dendritic polyamine scaffolds for biomedical applications is presented and compared with that of the structurally related anti-adhesive dendritic glycoconjugates.
A highly efficient palladium(ii)/polyoxometalate catalyst system for aerobic oxidation of alcohols
Authors: Dornan Laura M. , Muldoon Mark J.
Published: December 2014

A simple catalyst system composed of Pd(OAc)2, phosphomolybdic acid and tetrabutylammonium acetate oxidises a range of alcohols efficiently, with turnover numbers (TONs) of up to 10 000.
Redox-active and DNA-binding coordination complexes of clotrimazole
Authors: Betanzos-Lara Soledad , Chmel Nikola P. , Zimmerman Matthew T. , Barrón-Sosa Lidia R. , Garino Claudio , Salassa Luca , Rodger Alison , Brumaghim Julia L. , Gracia-Mora Isabel , Barba-Behrens Norah
Published: December 2014

The coordination compounds bind to DNA by two different binding modes depending on the concentration, sequence of the DNA, and the structure of the complex.
Use of low cost and easily regenerated Prussian Blue cathodes for efficient electrical energy recovery in a microbial battery
Authors: Xie Xing , Ye Meng , Liu Chong , Hsu Po-Chun , Criddle Craig S. , Cui Yi
Published: December 2014

A microbial battery (MB) equipped with a Prussian Blue (PB) cathode is reported.
Yield optimization and rational function modelling of enzymatic hydrolysis of wheat straw pretreated by NaOH-delignification, autohydrolysis and their combination
Authors: Pihlajaniemi Ville , Sipponen Mika Henrikki , Pastinen Ossi , Lehtomäki Ilkka , Laakso Simo
Published: December 2014

The sugar yield of saccharification processes must be optimized against productivity, for which rational function modelling provides a smooth solution.
Phototriggerable peptidomimetics for the inhibition of Mycobacterium tuberculosis ribonucleotide reductase by targeting protein–protein binding
Authors: Karlsson Christoffer , Blom Magnus , Johansson (neé Varedian) Miranda , Jansson Anna M. , Scifo Enzo , Karlén Anders , Govender Thavendran , Gogoll Adolf
Published: December 2014

Peptidomimetic inhibitors with photomodulable affinity for the R1–R2 subunit association site were designed based on the R2-subunit C-terminal.
Tetrahydrofuranyl and tetrahydropyranyl protection of amino acid side-chains enables synthesis of a hydroxamate-containing aminoacylated tRNA
Authors: Lambert Lester J. , Miller Marvin J. , Huber Paul W.
Published: December 2014

O-protection using tetrahydrofuranyl or tetrahydropyranyl enabled addition of a hydroxamate-containing unnatural amino acid to a suppressor tRNA, allowing subsequent site-specific incorporation of the amino acid into the transcription factor, TFIIIA.
Palladium-catalyzed oxidative deacetonative coupling of 4-aryl-2-methyl-3-butyn-2-ols with H-phosphonates
Authors: Li Xiang , Sun Suyan , Yang Fan , Kang Jianxun , Wu Yusheng , Wu Yangjie
Published: December 2014

A new and generally practical synthesis of alkynylphosphonates through a palladium-catalyzed consecutive Sonogashira/deacetonative process using aryl bromides, 2-methyl-3-butyn-2-ol and H-phosphonates is developed.
Control of guanine-rich DNA secondary structures depending on the protease activity using a designed PNA peptide
Authors: Usui Kenji , Okada Arisa , Kobayashi Keita , Sugimoto Naoki
Published: December 2014

A regulation system for DNA secondary structure formation of G-rich sequences using a designed PNA peptide exhibiting an enzyme-responsive functionality, depending on the protease activity was constructed.
Vanadyl species-catalyzed complementary β-oxidative carbonylation of styrene derivatives with aldehydes
Authors: Yang Wen-Chieh , Weng Shiue-Shien , Ramasamy Anandhan , Rajeshwaren Gobi , Liao Yi-Ya , Chen Chien-Tien
Published: December 2014

By judicious choice of the counter anions in the vanadyl catalysts, we can achieve β-hydroxylated and t-butyl peroxylated carbonylation of styrenes by aromatic 1° and 2° alkyl aldehydes in a complementary manner.
Aqueous RAFT synthesis of block and statistical copolymers of 2-(α-d-mannopyranosyloxy)ethyl methacrylate with 2-(N,N-dimethylamino)ethyl methacrylate and their application for nonviral gene delivery
Authors: Obata Makoto , Kobori Tomoya , Hirohara Shiho , Tanihara Masao
Published: December 2014

Statistical and block glycopolymers presenting d-mannose were prepared by aqueous RAFT polymerization, and the effect of the microstructure on gene delivery was examined.
Poly(styrene-graft-hyperbranched polyglycidol): synthesis and solution behavior of a hyperbranched polyelectrolyte
Authors: Goodwin Andrew , Bobade Sachin , Kang Nam-Goo , Baskaran Durairaj , Hong Kunlun , Mays Jimmy
Published: December 2014

This work presents a three-step synthetic procedure to obtain a hypergrafted copolymer composed of a glassy backbone with flexible branched pendant segments. The polymer exhibited polyelectrolyte behavior and conformational changes prior to neutralization with LiBr salt.
Nano bio optically tunable composite nanocrystalline cellulose films
Authors: Nevo Y. , Peer N. , Yochelis S. , Igbaria M. , Meirovitch S. , Shoseyov O. , Paltiel Y.
Published: December 2014

We utilize nanocellulose and semiconductor nanocrystals to reinforce and functionalize a biodegradable transparent film to create a transparent, strong and optically tunable plastic film.
An efficient thermoelectric material: preparation of reduced graphene oxide/polyaniline hybrid composites by cryogenic grinding
Authors: Wang Weijie , Zhang Qihao , Li Jianlin , Liu Xia , Wang Lianjun , Zhu Juanjuan , Luo Wei , Jiang Wan
Published: December 2014

An alternative and facile strategy to fabricate conducting reduced graphene oxide/polyaniline (rGO/PANI) hybrid composites with highly enhanced thermoelectric properties is introduced. rGO and PANI were homogeneously mixed by cryogenic grinding.
N-doped carbon xerogels as adsorbents for the removal of heavy metal ions from aqueous solution
Authors: Yang Bin , Yu Chengxiang , Yu Qingni , Zhang Xingwang , Li Zhongjian , Lei Lecheng
Published: December 2014

The adsorption capacity for Pb, Zn and Cu ions in aqueous solution can be significantly improved by the introduction of N into the carbon xerogel (CX) matrix in the basis of the extraordinary textural property.
UV-vis and EPR spectroelectrochemical investigations of triarylamine functionalized arylene bisimides
Authors: Pluczyk Sandra , Zassowski Pawel , Rybakiewicz Renata , Wielgosz Renata , Zagorska Malgorzata , Lapkowski Mieczyslaw , Pron Adam
Published: December 2014

The ambipolar behavior of groups of N-substituted and core-functionalized triarylamine arylene bisimides were investigated by electrochemical and spectroelectrochemical (UV-vis and EPR spectroelectrochemistry) techniques.
Efficacy of variable dosage of aspirin in combating methotrexate-induced intestinal toxicity
Authors: Gupta Sukesh K. , Gautam Swetlana , Rawat Jitendra K. , Singh Manjari , Saraf Shubhini A. , Kaithwas Gaurav
Published: December 2014

The aim of the present study was to study in detail the effect of variable doses of aspirin on intestinal toxicity.
Phosphonate-modified metal oxides for the highly selective enrichment of phosphopeptides
Authors: Li Xiao-Shui , Chen Xi , Yuan Bi-Feng , Feng Yu-Qi
Published: December 2014

Phosphonate-modified metal oxides display higher selectivity than unmodified ones for the effective enrichment of phosphopeptides.
Ni-enhanced Co3O4 nanoarrays grown in situ on a Cu substrate as integrated anode materials for high-performance Li-ion batteries
Authors: Liu Xiaoyu , Chen Shimou , Yu Jia , Zhang Wenlong , Dai Yajie , Zhang Suojiang
Published: December 2014

3D Co3O4 nanoarrays fabricated on a Cu substrate surface with a Ni-nanoseed-layer as the interface were synthesized by a two-step approach, combining electrodeposition and hydrothermal synthesis. This integrated anode exhibited excellent performance in Li-ion batteries.
Fluorogenic displacement biosensors for PSA detection using antibody-functionalised quantum dot nanoparticles
Authors: Frascione Nunzianda , Gooch James , Abbate Vincenzo , Daniel Barbara
Published: December 2014

Novel quantum dot conjugated immunosensors are presented for the accurate identification of seminal fluid in forensic casework.
Combination cation substitution tuning of yellow-orange emitting phosphor Mg2Y2Al2Si2O12:Ce3+
Authors: Pan Zaifa , Xu Yu , Hu Qingsong , Li Weiqiang , Zhou Huan , Zheng Yifan
Published: December 2014

A yellow-orange emitting garnet phosphor Mg2Y2Al2Si2O12:Ce3+ was prepared through combination substitution, and a high colour rendering index white LED lamp was achieved.
An efficient Ag-nanoparticle embedded semi-IPN hydrogel for catalytic applications
Authors: Patwadkar Manjusha V. , Gopinath Chinnakonda S. , Badiger Manohar V.
Published: December 2014

Silver nanoparticle embedded semi-IPN hydrogels based on a combination of poly(acrylamide) and poly(aspartic acid) for catalytic application.
Perspectives of friction mechanism of a-C:H film in vacuum concerning the onion-like carbon transformation at the sliding interface
Authors: Song Hui , Ji Li , Li Hongxuan , Liu Xiaohong , Zhou Huidi , Wang Weiqi , Chen Jianmin
Published: December 2014

A-C:H films with low friction and good wear resistance have long been regarded as a potential space lubricating film.
Designing ordered micropatterned hydroxyapatite bioceramics to promote the growth and osteogenic differentiation of bone marrow stromal cells
Authors: Zhao Cancan , Xia Lunguo , Zhai Dong , Zhang Na , Liu Jiaqiang , Fang Bing , Chang Jiang , Lin Kaili
Published: December 2014

HAp bioceramics with micropatterned surfaces significantly enhance cell responses.
Microporous, tetraarylethylene-based polymer networks generated in a reductive polyolefination process
Authors: Preis E. , Dong W. , Brunklaus G. , Scherf U.
Published: December 2014

Highly fluorescent microporous polymer networks with triazine cores have been prepared and tested for their PL quenching response to arylamines.
A pure blue emitter (CIEy ≈ 0.08) of chrysene derivative with high thermal stability for OLED
Authors: Chung Yao-Hsien , Sheng Lei , Xing Xing , Zheng Lingling , Bian Mengying , Chen Zhijian , Xiao Lixin , Gong Qihuang
Published: December 2014

A chrysene derivative, BPCC (6,12-bis(9-phenyl-9H-carbazol-3-yl)chrysene), possessing high thermal stability with a high glass transition temperature (Tg = 181 °C) was synthesized.
Uniform spheroidal nanoassemblies of magnetite using Tween surfactants: influence of surfactant structure on the morphology and electrochemical performance
Authors: Maqbool Qysar , Singh Chanderpratap , Paul Amit , Srivastava Aasheesh
Published: December 2014

Uniform spherical nanoassemblies of Fe3O4 prepared using tween surfactants.
“Knowledge is Power”: Reading, Writing, and Promoting Self-Determination among Adolescents with Multiple Disabilities
Authors: Ruppar Andrea L.
Published: December 2014

Emergent readers and writers with multiple disabilities, who use augmentative and alternative communication (AAC), require many opportunities throughout the day to engage in literacy. The quality of these literacy opportunities is important; to ensure that reading and writing are consistently motivating and students generalize skills, literacy should always serve an authentic communicative purpose. As students enter adolescence and prepare to exit high school, high-priority literacy skills should be targeted and literacy activities must be age-appropriate. This article provides an overview of emergent literacy for early communicators with multiple disabilities and explores ways that educational teams can identify authentic literacy activities for adolescents with multiple disabilities in a variety of inclusive environments.
This Journey of Mine
Authors: Kooser Cathy
Published: December 2014

For most of my life, I have lived with a progressive hearing loss that has recently resulted in my receiving a cochlear implant (CI). I have decided to share this story because patients' stories/narratives are a valuable way to increase clinicians' awareness of patients' needs and perspectives. This article speaks to my journey living with hearing loss and focuses on my personal reactions to the diagnosis of progressive hearing loss, the recommendation to wear hearing aids, and, finally, the realization that I was a cochlear implant candidate. Comments and suggestions are offered as to how professionals can best assist patients who may be traveling similar paths.
Delayed Cranioplasty: Outcomes Using Frozen Autologous Bone Flaps
Authors: Hng Daniel , Bhaskar Ivan , Khan Mumtaz , Budgeon Charley , Damodaran Omprakash , Knuckey Neville , Lee Gabriel
Published: December 2014

Reconstruction of skull defects following decompressive craniectomy is associated with a high rate of complications. Implantation of autologous cryopreserved bone has been associated with infection rates of up to 33%, resulting in considerable patient morbidity. Predisposing factors for infection and other complications are poorly understood. Patients undergoing cranioplasty between 1999 and 2009 were identified from a prospectively maintained database. Records and imaging were reviewed retrospectively. Demographics, the initial craniectomy and subsequent cranioplasty surgeries, complications, and outcomes were recorded. A total of 187 patients underwent delayed cranioplasty using autologous bone flaps cryopreserved at −30°C following decompressive craniectomy. Indications for craniectomy were trauma (77.0%), stroke (16.0%), subarachnoid hemorrhage (2.67%), tumor (2.14%), and infection (2.14%). There were 64 complications overall (34.2%), the most common being infection (11.2%) and bone resorption (5.35%). After multivariate analysis, intraoperative cerebrospinal fluid (CSF) leak was significantly associated with infection, whereas longer duration of surgery and unilateral site were associated with resorption. Cranioplasty using frozen autologous bone is associated with a high rate of infective complications. Intraoperative CSF leak is a potentially modifiable risk factor. Meticulous dissection during cranioplasty surgery to minimize the chance of breaching the dural or pseudodural plane may reduce the chance of bone flap.
Deformation of a nearly hemispherical conducting drop due to an electric field: Theory and experiment
Authors: Corson L. T. , Tsakonas C. , Duffy B. R. , Mottram N. J. , Sage I. C. , Brown C. V. , Wilson S. K.
Published: December 2014

We consider, both theoretically and experimentally, the deformation due to an electric field of a pinned nearly hemispherical static sessile drop of an ionic fluid with a high conductivity resting on the lower substrate of a parallel-plate capacitor. Using both numerical and asymptotic approaches, we find solutions to the coupled electrostatic and augmented Young–Laplace equations which agree very well with the experimental results. Our asymptotic solution for the drop interface extends previous work in two ways, namely, to drops that have zero-field contact angles that are not exactly π/2 and to higher order in the applied electric field, and provides useful predictive equations for the changes in the height, contact angle, and pressure as functions of the zero-field contact angle, drop radius, surface tension, and applied electric field. The asymptotic solution requires some numerical computations, and so a surprisingly accurate approximate analytical asymptotic solution is also obtained.
Appointing silver and bronze standards for noncovalent interactions: A comparison of spin-component-scaled (SCS), explicitly correlated (F12), and specialized wavefunction approaches
Authors: Burns Lori A. , Marshall Michael S. , Sherrill C. David
Published: December 2014

A systematic examination of noncovalent interactions as modeled by wavefunction theory is presented in comparison to gold-standard quality benchmarks available for 345 interaction energies of 49 bimolecular complexes. Quantum chemical techniques examined include spin-component-scaling (SCS) variations on second-order perturbation theory (MP2) [SCS, SCS(N), SCS(MI)] and coupled cluster singles and doubles (CCSD) [SCS, SCS(MI)]; also, method combinations designed to improve dispersion contacts [DW-MP2, MP2C, MP2.5, DW-CCSD(T)-F12]; where available, explicitly correlated (F12) counterparts are also considered. Dunning basis sets augmented by diffuse functions are employed for all accessible ζ-levels; truncations of the diffuse space are also considered. After examination of both accuracy and performance for 394 model chemistries, SCS(MI)-MP2/cc-pVQZ can be recommended for general use, having good accuracy at low cost and no ill-effects such as imbalance between hydrogen-bonding and dispersion-dominated systems or non-parallelity across dissociation curves. Moreover, when benchmarking accuracy is desirable but gold-standard computations are unaffordable, this work recommends silver-standard [DW-CCSD(T**)-F12/aug-cc-pVDZ] and bronze-standard [MP2C-F12/aug-cc-pVDZ] model chemistries, which support accuracies of 0.05 and 0.16 kcal/mol and efficiencies of 97.3 and 5.5 h for adenine·thymine, respectively. Choice comparisons of wavefunction results with the best symmetry-adapted perturbation theory [T. M. Parker, L. A. Burns, R. M. Parrish, A. G. Ryno, and C. D. Sherrill, J. Chem. Phys. 140, 094106 (2014)] and density functional theory [L. A. Burns, Á. Vázquez-Mayagoitia, B. G. Sumpter, and C. D. Sherrill, J. Chem. Phys. 134, 084107 (2011)] methods previously studied for these databases are provided for readers' guidance.
Time-dependent Jahn-Teller problem: Phonon-induced relaxation through conical intersection
Authors: Pae Kaja , Hizhnyakov Vladimir
Published: December 2014

A theoretical study of time-dependent dynamical Jahn-Teller effect in an impurity center in a solid is presented. We are considering the relaxation of excited states in the E⊗e-problem through the conical intersection of the potential energy. A strict quantum-mechanical treatment of vibronic interactions with both the main Jahn-Teller active vibration and the nontotally symmetric phonons causing the energy loss is given. The applied method enables us to calculate the time-dependence of the distribution function of the basic configurational coordinate. We have performed a series of numerical calculations allowing us, among other relaxation features, to visualise the details of the relaxation through the conical intersection. In particular, we elucidate how the Slonczewski quantization of the states in the conical intersection affects the relaxation.
Advances in the generalized entropy theory of glass-formation in polymer melts
Authors: Dudowicz Jacek , Douglas Jack F. , Freed Karl F.
Published: December 2014

The generalized entropy theory (GET) of polymeric glass-forming liquids is reformulated into a computationally simpler and more natural formalism than the original version of this theory. The new theoretical framework greatly facilitates establishing essential trends in the dependence of the segmental relaxation time τ, fragility, characteristic temperatures of glass-formation, etc., on the combined influences of monomer molecular structure, chain rigidity, and cohesive interaction strength. Special attention is placed on the estimating the parameters of the phenomenological Vogel-Fulcher-Tammann relations for describing segmental relaxation in diverse liquids in the low temperature range of glass-formation, Tg > T > Tc (or Tg < T < Tg + 100 K), where Tg and Tc are, respectively, the glass transition temperature and the crossover temperature separating the high and low temperature regimes of glass-formation. Finally, we discuss how the molecular energetic interaction parameters of the GET can be estimated from experimental data. Illustrative calculations are performed for the stiffness factor σ and the cohesive energy density u as a first step in this direction.
Molecular simulation of thermodynamic and transport properties for the H2O+NaCl system
Authors: Orozco Gustavo A. , Moultos Othonas A. , Jiang Hao , Economou Ioannis G. , Panagiotopoulos Athanassios Z.
Published: December 2014

Molecular dynamics and Monte Carlo simulations have been carried out to obtain thermodynamic and transport properties of the binary mixture H2O+NaCl at temperatures from T = 298 to 473 K. In particular, vapor pressures, liquid densities, viscosities, and vapor-liquid interfacial tensions have been obtained as functions of pressure and salt concentration. Several previously proposed fixed-point-charge models that include either Lennard-Jones (LJ) 12-6 or exponential-6 (Exp6) functional forms to describe non-Coulombic interactions were studied. In particular, for water we used the SPC and SPC/E (LJ) models in their rigid forms, a semiflexible version of the SPC/E (LJ) model, and the Errington-Panagiotopoulos Exp6 model; for NaCl, we used the Smith-Dang and Joung-Cheatham (LJ) parameterizations as well as the Tosi-Fumi (Exp6) model. While none of the model combinations are able to reproduce simultaneously all target properties, vapor pressures are well represented using the SPC plus Joung-Cheathem model combination, and all LJ models do well for the liquid density, with the semiflexible SPC/E plus Joung-Cheatham combination being the most accurate. For viscosities, the combination of rigid SPC/E plus Smith-Dang is the best alternative. For interfacial tensions, the combination of the semiflexible SPC/E plus Smith-Dang or Joung-Cheatham gives the best results. Inclusion of water flexibility improves the mixture densities and interfacial tensions, at the cost of larger deviations for the vapor pressures and viscosities. The Exp6 water plus Tosi-Fumi salt model combination was found to perform poorly for most of the properties of interest, in particular being unable to describe the experimental trend for the vapor pressure as a function of salt concentration.