bluuebunny/crossref_metadata_2025_split huggingface dataset:
Neural Networks and Neurocomputational Modeling
Authors: Toutounji Hazem , Hertäg Loreen , Durstewitz Daniel 
Published: April 2018

AbstractThis chapter reviews methods of neurocomputational modeling, ranging from biophysically detailed single neuron and synapse models to connectionist‐style, abstract network formalisms. These methods form an arsenal of mathematical tools that draw on dynamical systems theory, computational theory, nonlinear optimization, probability theory, and statistics. Together, they provide a common language for addressing phenomena at a wide span of biological scales, from molecular mechanisms describing intracellular signal processing to the brain‐wide neural activity producing cognition and behavior. They also form the basis for advanced estimation of model parameters and network structure directly from neural recordings. In conclusion, given the commonalities in mathematical approaches addressed through the text, the necessity for an overarching framework to tackle questions in neurocomputational modeling at different levels of biological detail is emphasized.
Sequential Au/Cu Catalysis: A Two Catalyst One‐Pot Protocol for the Enantioselective Synthesis of Oxazole α‐Hydroxy Esters via Intramolecular Cyclization/Intermolecular Alder‐Ene Reaction
Authors: Nalivela Kumara Swamy , Rudolph Matthias , Baeissa Elham S. , Alhogbi Basma G. , Mkhalid Ibraheem A. I. , Hashmi A. Stephen K. 
Published: April 2018

AbstractA convenient protocol for the enantioselective synthesis of oxazole α‐hydroxy ester derivatives 4 from readily available propargylamides 1 and alkylglyoxylates 3 was developed. The first step of the one‐pot procedure is the selective intramolecular in situ formation of an alkylideneoxazoline 2, which then in an intermolecular reaction is enantioselectively transformed to the oxazole α‐hydroxy ester derivatives 4 in quantitative yield and good to excellent enantioselectivity via an asymmetric copper(II)‐catalyzed Alder‐ene reaction.magnified image
Educational inequality across three generations in Australia
Authors: Hancock Kirsten J. , Mitrou Francis , Povey Jenny , Campbell Alice , Zubrick Stephen R. 
Published: April 2018

AbstractThe transfer of advantage and disadvantage across multiple generations is receiving increasing attention in the international literature; however, transfers of resources across multiple generations in Australian families are less well understood. Using a longitudinal dataset of Australian children, we have the opportunity to not only investigate the transfer of educational resources across three generations in Australia, but also investigate the gendered nature of these transfers, which has been a limitation of other studies. We find no evidence of individual grandparent education effects on numeracy and reading scores for grandchildren in Year 3, independent of parent educational attainment and other covariates. However, significant effects on numeracy and reading scores were observed for children in families where both the grandmother and grandfather in maternal and paternal grandparent sets had high educational attainment (a diploma or university qualification), and where either or both the mother and father had a university qualification. These results suggest that the contribution of grandparents to the academic achievement of grandchildren cannot be fully explained by the parent generation and that the concentration of human capital in families contributes to educational inequalities across multiple generations that can be observed by eight years of age.
Die stark wachsende chemische Vielfalt der RNA‐Modifikationen enthält eine Thioacetalstruktur
Authors: Dal Magro Christina , Keller Patrick , Kotter Annika , Werner Stephan , Duarte Victor , Marchand Virginie , Ignarski Michael , Freiwald Anja , Müller Roman‐Ulrich , Dieterich Christoph , Motorin Yuri , Butter Falk , Atta Mohamed , Helm Mark 
Published: April 2018

AbstractDurch kürzlich neu entdeckte Strukturen wurde das Spektrum an funktionellen Gruppen, die die chemische Vielfalt von RNA‐Modifikation definieren, überraschend erweitert. Durch die Verwendung von LC‐MS war es uns möglich, über hundert Signale von RNA‐Komponenten, die eine Ribose‐Einheit enthielten, in tRNAs von E. coli zu detektieren. Durch Fütterungsexperimente mit stabilen isotopenmarkierten Verbindungen wurden 37 Verbindungen identifiziert, die neue RNA‐Modifikationen darstellen. Eine der 37 Strukturen konnte durch den Einsatz von Deuterium‐Austausch‐Experimenten sowie hochauflösender Massenspektrometrie aufgeklärt werden. Die Struktur von msms2i6A (2‐Methylthiomethylenethio‐N6‐isopentenyladenosin) wurde durch Methion‐D3‐Fütterungsexperimente und schließlich durch die Synthese der Nukleobase bestätigt. Die Modifikation msms2i6A enthält ein Thioacetal, dessen Biosyntheese wir in vitro durch das Radikal‐SAM‐Enzym MiaB aus ms2i6A nachstellen konnten. Dieses Enzym führt eine Thiomethylierung durch und generiert aus i6A in einer ersten Umsetzung ms2i6A. Das neu entdeckte Thioacetal wird durch eine zweite Umsetzung generiert, bei dem nun Wasserstoff aus der zuvor eingeführten Methylgruppe abstrahiert wird. Thioacetale sind in der Naturstoffchemie äußerst selten und diese Reaktion stellt zudemeinen neuartigen enzymatischen Mechanismus für ihre Bildung dar. In Verbindung mit dem Pool von 36 weiteren neuen Modifikationen beschreibt diese Arbeit eine neue Ebene in der RNA‐Modifikationschemie.
Two Histidines in an α‐Helix: A Rigid Co2+‐Binding Motif for PCS Measurements by NMR Spectroscopy
Authors: Bahramzadeh Alireza , Jiang Hailun , Huber Thomas , Otting Gottfried 
Published: April 2018

AbstractPseudocontact shifts (PCS) generated by paramagnetic metal ions present valuable long‐range information in the study of protein structural biology by nuclear magnetic resonance (NMR) spectroscopy. Faithful interpretation of PCSs, however, requires complete immobilization of the metal ion relative to the protein, which is difficult to achieve with synthetic metal tags. We show that two histidine residues in sequential turns of an α‐helix provide a binding site for a Co2+ ion, which positions the metal ion in a uniquely well‐defined and predictable location. Exchange between the bound and free cobalt is slow on the timescale defined by chemical shifts, but the NMR resonance assignments are nonetheless readily transferred from the diamagnetic to the paramagnetic NMR spectrum by an IzSz‐exchange experiment. The double‐histidine‐Co2+ motif offers a straightforward, inexpensive, and convenient way of generating precision PCSs in proteins.
Polymeric Nanoparticles with a Glutathione‐Sensitive Heterodimeric Multifunctional Prodrug for In Vivo Drug Monitoring and Synergistic Cancer Therapy
Authors: Zhang Fuwu , Ni Qianqian , Jacobson Orit , Cheng Siyuan , Liao Arthur , Wang Zhantong , He Zhimei , Yu Guocan , Song Jibin , Ma Ying , Niu Gang , Zhang Longjiang , Zhu Guizhi , Chen Xiaoyuan 
Published: April 2018

AbstractPolymeric micelle‐based drug delivery systems have dramatically improved the delivery of small molecular drugs, yet multiple challenges remain to be overcome. A polymeric nanomedicine has now been engineered that possesses an ultrahigh loading (59 %) of a glutathione (GSH)‐sensitive heterodimeric multifunctional prodrug (HDMP) to effectively co‐deliver two synergistic drugs to tumors. An HDMP comprising of chemotherapeutic camptothecin (CPT) and photosensitizer 2‐(1‐hexyloxyethyl)‐2‐devinyl pyropheophorbide‐α (HPPH) was conjugated via a GSH‐cleavable linkage. The intrinsic fluorogenicity and label‐free radio‐chelation (64Cu) of HPPH enabled direct drug monitoring by fluorescence imaging and positron emission tomography (PET). Through quantitative PET imaging, HDMP significantly improves drug delivery to tumors. The high synergistic therapeutic efficacy of HDMP‐loaded NPs highlights the rational design of HDMP, and presents exciting opportunities for polymer NP‐based drug delivery.
A Highly Efficient Near‐Infrared‐Emissive Copolymer with a N=N Double‐Bond π‐Conjugated System Based on a Fused Azobenzene–Boron Complex
Authors: Gon Masayuki , Tanaka Kazuo , Chujo Yoshiki 
Published: April 2018

AbstractFused azobenzene–boron complexes (BAzs) show highly efficient near‐infrared (NIR) emission from the nitrogen–nitrogen double bond (N=N) containing π‐conjugated copolymer. Optical measurements showed that BAz worked as a strong electron acceptor because of the intrinsic electron deficiency of the N=N double bond and the boron–nitrogen (B−N) coordination which dramatically lowered the energy of the lowest unoccupied molecular orbital (LUMO) of the azobenzene ligand. The simple donor–acceptor (D–A) type copolymer of bithiophene (BT) and BAz exhibited intense photoluminescence (PL) in the NIR region both in the dilute solution (λPL=751 nm, ΦPL=0.25) and in the film (λPL=821 nm, ΦPL=0.038). The BAz monomer showed slight PL in the dilute solution, and aggregation‐induced emission (AIE) was detected. We proposed that N=N double bonds should be attractive and functional building blocks for designing π‐conjugated materials.
Pregnancy Outcomes After Exposure to Certolizumab Pegol
Authors: Clowse Megan E. B. , Scheuerle Angela E. , Chambers Christina , Afzali Anita , Kimball Alexa B. , Cush John J. , Cooney Maureen , Shaughnessy Laura , Vanderkelen Mark , Förger Frauke 
Published: April 2018

ObjectiveAnti–tumor necrosis factor (anti‐TNF) medications are effective in controlling chronic inflammatory diseases, but information about their use and safety in pregnancy is limited. Consequently, anti‐TNF agents are often discontinued early in gestation. Certolizumab pegol (CZP), a PEGylated, Fc‐free anti‐TNF agent approved for the treatment of rheumatic diseases and/or Crohn's disease, has minimal to no active placental transfer. This analysis was undertaken to evaluate pregnancy outcomes in women receiving CZP, especially those exposed during early pregnancy.MethodsProspective and retrospective data on maternal CZP exposure were extracted from the UCB Pharma safety database through March 6, 2017. Analysis was limited to prospective reports to avoid potential bias associated with retrospective submissions. The numbers of live births, miscarriages, elective abortions, stillbirths, and major congenital malformations were ascertained.ResultsOf 1,137 prospectively reported pregnancies with maternal exposure to CZP, 528 (including 10 twin pregnancies) had 538 known outcomes: 459 live births (85.3%), 47 miscarriages (8.7%), 27 elective abortions (5.0%), and 5 stillbirths (0.9%). There were 8 major congenital malformations (1.7%) among the 459 infants. First trimester exposure occurred in 367 (81.2%) of 452 pregnancies resulting in 459 live births. Exposure during all 3 trimesters occurred in 201 (44.5%) of 452 pregnancies.ConclusionThis analysis represents the largest cohort of pregnant women exposed to an anti‐TNF agent for management of chronic inflammatory diseases. Analysis of pregnancy outcomes does not indicate a teratogenic effect of CZP, compared to the general population, nor an increased risk of fetal death. The data are reassuring for women of childbearing age considering treatment with CZP.
Skeletal Growth Dysregulation in Australian Male Infants and Toddlers With Autism Spectrum Disorder
Authors: Green Cherie C. , Dissanayake Cheryl , Loesch Danuta Z. , Bui Minh , Barbaro Josephine 
Published: April 2018

Recent findings suggest that children with Autism Spectrum Disorder (ASD) are larger in size for head circumference (HC), height, and weight compared to typically developing (TD) children; however, little is known about their rate of growth, especially in height and weight. The current study aimed to: (a) confirm and extend upon previous findings of early generalized overgrowth in ASD; and (b) determine if there were any differences in the rate of growth between infants and toddlers with ASD compared to their TD peers. Measurements of HC, height, and weight were available for 135 boys with ASD and 74 TD boys, from birth through 3 years of age. Size and growth rate in HC, height, and weight were analyzed using a linear mixed‐effects model. Infants with ASD were significantly smaller in size at birth for HC, body length, and weight compared to TD infants (all P < 0.05); however, they grew at a significantly faster rate in HC and height in comparison to the TD children (P < 0.001); there was no significant difference between the groups in growth rate for weight (P > 0.05). The results confirmed that male infants and toddlers with ASD exhibit skeletal growth dysregulation early in life. Autism Res 2018, 11: 846–856. © 2018 International Society for Autism Research, Wiley Periodicals, Inc.Lay SummaryRecent findings suggest that infants with Autism Spectrum Disorder (ASD) are smaller in size at birth compared to typically developing infants but grow larger than their peers during the first year. Little is known about their rate of growth, especially for height and weight. Our findings confirmed that infants with ASD are smaller in size at birth for head circumference (HC), height, and weight, but grow at a faster rate in HC and height than their peers from birth to 3 years.
Brief report: Poor self‐regulation as a predictor of individual differences in adaptive functioning in young children with autism spectrum disorder
Authors: Uljarević Mirko , Hedley Darren , Nevill Rose , Evans David W. , Cai Ru Ying , Butter Eric , Mulick James A. 
Published: April 2018

The present study examined the link between poor self‐regulation (measured by the child behavior checklist dysregulated profile [DP]) and core autism symptoms, as well as with developmental level, in a sample of 107 children with autism spectrum disorder (ASD) aged 19–46 months. We further examined the utility of DP in predicting individual differences in adaptive functioning, relative to the influence of ASD severity, chronological age (CA), and developmental level. Poor self‐regulation was unrelated to CA, developmental level, and severity of ADOS‐2 restricted and repetitive behaviors, but was associated with lower ADOS‐2 social affect severity. Hierarchical regression identified poor self‐regulation as a unique independent predictor of adaptive behavior, with more severe dysregulation predicting poorer adaptive functioning. Results highlight the importance of early identification of deficits in self‐regulation, and more specifically, of the utility of DP, when designing individually tailored treatments for young children with ASD. Autism Res 2018, 11: 1157–1165. © 2018 International Society for Autism Research, Wiley Periodicals, Inc.Lay SummaryThis study explored the relationship between poor self‐regulation and age, verbal and non‐verbal developmental level, severity of autism symptoms and adaptive functioning in 107 children with autism under 4 years of age. Poor self‐regulation was unrelated to age, developmental level, and severity of restricted and repetitive behaviors but was associated with lower social affect severity. Importantly, more severe self‐regulation deficits predicted poorer adaptive functioning.
Population-based study of the sensitivity of axillary ultrasound imaging in the preoperative staging of node-positive invasive lobular carcinoma of the breast
Authors: Morrow E , Lannigan A , Doughty J , Litherland J , Mansell J , Stallard S , Mallon E , Romics L 
Published: April 2018

Abstract

Background
Preoperative staging of the axilla is important to allow decisions regarding neoadjuvant treatment and the management of the axilla. Invasive lobular carcinoma metastases are difficult to detect because of the infiltrative pattern of the nodal spread. In this study the sensitivity of preoperative axillary staging between invasive lobular (ILC) and ductal (IDC) carcinoma was compared.

Methods
All women diagnosed with pure ILC or IDC in the West of Scotland in 2012–2014 were identified from a database maintained prospectively within the Managed Clinical Network. Pretreatment axillary ultrasound imaging (AUS), core biopsy and fine-needle aspiration cytology (FNAC) results were compared between ILC and IDC.

Results
Some 602 women with ILC and 4199 with IDC had undergone axillary surgery, of whom 209 and 1402 respectively had nodal metastases. Pretreatment AUS sensitivity was significantly lower in ILC than in IDC (32·1 versus 50·1 per cent respectively, P &lt; 0·001; OR 0·47, 95 per cent c.i. 0·34 to 0·64). Core biopsy had equally high sensitivity of 86 per cent in both subtypes; however, FNAC was significantly less sensitive in both ILC (55 per cent; P = 0·003) and IDC (75·6 per cent; P = 0·006). Multivariable analysis revealed that cT3–4 status and symptomatic presentation were both significant in predicting nodal metastasis in patients with ILC and false-negative AUS findings (OR 3·77, 95 per cent c.i. 1·69 to 8·42, P = 0·001; and OR 1·92, 1·24 to 2·98, P = 0·003, respectively).

Conclusion
AUS is inferior in detecting axillary node metastasis in ILC compared with IDC. Women with cT3–4 lobular carcinoma may benefit from ultrasound-guided axillary biopsy regardless of the ultrasonographic appearance of the nodes.
Development and evaluation of a patient-centred measurement tool for surgeons' non-technical skills
Authors: Yule J , Hill K , Yule S 
Published: April 2018

Abstract

Background
Non-technical skills are essential for safe and effective surgery. Several tools to assess surgeons' non-technical skills from the clinician's perspective have been developed. However, a reliable measurement tool using a patient-centred approach does not currently exist. The aim of this study was to translate the existing Non-Technical Skills for Surgeons (NOTSS) tool into a patient-centred evaluation tool.

Methods
Data were gathered from four cohorts of patients using an iterative four-stage mixed-methods research design. Exploratory and confirmatory factor analyses were performed to establish the psychometric properties of the tool, focusing on validity, reliability, usability and parsimony.

Results
Some 534 patients were recruited to the study. A total of 24 patient-centred non-technical skill items were developed in stage 1, and reduced to nine items in stage 2 using exploratory factor analysis. In stage 3, confirmatory factor analysis demonstrated that these nine items each loaded on to one of three factors, with excellent internal consistency: decision-making, leadership, and communication and teamwork. In stage 4, validity testing established that the new tool was independent of physician empathy and predictive of surgical quality. Surgical leadership emerged as the most dominant skill that patients could recognize and evaluate.

Conclusion
A novel nine-item assessment tool has been developed. The Patients' Evaluation of Non-Technical Skills (PENTS) tool allows valid and reliable measurement of surgeons' non-technical skills from the patient perspective.
A left ventricular true aneurysm
Authors: Saleh Yehia , Almaghraby Abdallah , Abdelkarim Ola , Abdelnaby Mahmoud , Hammad Basma 
Published: April 2018

Key Clinical MessageTrue ventricular aneurysm is a scarred wall that most commonly results after an unrevascularized ST elevation myocardial infarction. Patients usually present with heart failure, angina, ventricular arrhythmia, systemic embolization, or ventricular rupture. Diagnosis can be achieved via echocardiography, left ventricle angiogram, cardiac computed tomography, or cardiac magnetic resonance.
Influence of Particle Size Distribution on Lifetime and Thermal Stability of Ostwald Ripening of Supported Particles
Authors: Hu Sulei , Li Wei‐Xue 
Published: April 2018

AbstractStability of dispersed particles on their supports is one of the central topics in heterogeneous catalysis and quantifying the influence of the particle size distribution on lifetime and thermal stability is highly valuable for rational design of efficient nanocatalysts. We report here a theoretical study of Ostwald ripening of supported particles, in particular, the kinetic evolution of particle number, average size, and dispersion with respect to time and thermal temperature in a wide range of size and monodispersity. Phase diagrams of half‐lifetime and onset temperature of ripening as functions of size and monodispersity were constructed. If decreasing the average particle size, though there is a modest gain in the dispersion, the stability declines dramatically; specifically, the half‐lifetime of ripening decreases exponentially and the corresponding onset temperature decreases by hundreds of Kelvin. Decline in stability owing to the decrease in size could, however, be systematically compensated by increasing the monodispersity of the size distribution. We find that the supported particles with the same half‐life time and onset temperature could originate from different particle size distributions, whereas the particle size distribution with the same apparent dispersion could have very different onset temperature and half‐lifetime. The result highlights the importance of both size and monodispersity in particle size distribution to the ripening resistance of supported particles, and the methodology developed for simulating ripening kinetics could be used to accelerate the aging protocols.
Rhenium‐ and Manganese‐Catalyzed Selective Alkenylation of Indoles
Authors: Wang Chengming , Rueping Magnus 
Published: April 2018

AbstractAn efficient rhenium‐catalyzed regioselective C−H bond alkenylation of indoles is reported. The protocol operates well for internal as well as terminal alkynes, affording products in good to excellent yields. Furthermore, a manganese‐catalyzed, acid free, regioselective C2‐alkenylation of indoles with internal alkynes is described. The directing groups can be easily removed after the reaction and the resulting products can be used as valuable building blocks for the synthesis of diverse heterocyclic compounds.
Optimization of CO2 Biofixation by Chlorella vulgaris Using a Tubular Photobioreactor
Authors: Hossain S. Mohammad Z. , Hossain Mohammad M. , Razzak Shaikh A. 
Published: April 2018

AbstractThe effects of various CO2 concentrations in CO2 bioconversion by cultivation of microalga Chlorella vulgaris were investigated using a vertical tubular photobioreactor. The response surface technique with central composite design was applied to model the CO2 biofixation rate, the specific growth rate (SGR), and the biomass productivity of C. vulgaris as function of CO2 concentration and cultivation time. The developed nonlinear model was employed to determine the optimum CO2 concentration in an air‐CO2 mixture and the cultivation time for maximum CO2 biofixation, SGR, and microalgae biomass productivity. In addition, a multiple responses optimization method was also applied to determine the maximum CO2 uptake rate, the SGR, and the biomass productivity, simultaneously. The predicted optimum values agreed well with the experimental data.