bluuebunny/crossref_metadata_2025_split huggingface dataset:
DNA-PKcs Is Involved in Ig Class Switch Recombination in Human B Cells
Authors: Björkman Andrea , Du Likun , Felgentreff Kerstin , Rosner Cornelia , Pankaj Kamdar Radhika , Kokaraki Georgia , Matsumoto Yoshihisa , Davies E. Graham , van der Burg Mirjam , Notarangelo Luigi D. , Hammarström Lennart , Pan-Hammarström Qiang 
Published: November 2015

Abstract
Nonhomologous end-joining (NHEJ) is one of the major DNA double-strand break repair pathways in mammalian cells and is required for both V(D)J recombination and class switch recombination (CSR), two Ig gene–diversification processes occurring during B cell development. DNA-dependent protein kinase, catalytic subunit (DNA-PKcs) is a component of the classical NHEJ machinery and has a critical function during V(D)J recombination. However, its role in CSR has been controversial. In this study, we examined the pattern of recombination junctions from in vivo–switched B cells from two DNA-PKcs–deficient patients. One of them harbored mutations that did not affect DNA-PKcs kinase activity but caused impaired Artemis activation; the second patient had mutations resulting in diminished DNA-PKcs protein expression and kinase activity. These results were compared with those from DNA-PKcs–deficient mouse B cells. A shift toward the microhomology-based alternative end-joining at the recombination junctions was observed in both human and mouse B cells, suggesting that the classical NHEJ pathway is impaired during CSR when DNA-PKcs is defective. Furthermore, cells from the second patient showed additional or more severe alterations in CSR and/or NHEJ, which may suggest that DNA-PKcs and/or its kinase activity have additional, Artemis-independent functions during these processes.
Behavioral and Physiological Factors Associated With Selective Eating in Children With Autism Spectrum Disorder
Authors: Tanner Kelly , Case-Smith Jane , Nahikian-Nelms Marcia , Ratliff-Schaub Karen , Spees Colleen , Darragh Amy R. 
Published: November 2015

Abstract
Selective eating is common in children with autism spectrum disorder (ASD), but it is not yet well understood. The objectives of this study were to examine a new definition of selective eating, compare behavioral measures between children with ASD and selective eating and those without selective eating, and determine relationships among behavioral measures and measures of selective eating. Participants were assigned to groups on the basis of number of foods eaten compared with a population-based sample. Results of one-way multivariate analysis of variance indicated no overall effect of group for challenging behaviors, sensory reactivity, or repetitive behaviors. Between-participant tests indicated that scores for compulsive behaviors were significantly lower (p = .036) for the selective eating group. Correlations were moderately strong among variables relating to food intake and behavioral variables, but were not significant between selective eating and behavioral variables. Further research is needed to validate the definition of selective eating and to identify targets for intervention.
Analysis of Diagnoses Associated with Multiple Sclerosis–Related In-Hospital Mortality Using the Premier Hospital Database
Authors: Ernst Frank R. , Pocoski Jennifer , Cutter Gary , Kaufman David W. , Pleimes Dirk 
Published: November 2015

Background: We sought to compare mortality rates and related diagnoses in hospitalized patients with multiple sclerosis (MS), those with diabetes mellitus (DM), and the general hospitalized population (GHP).
Methods: Patients who died between 2007 and 2011 were identified in the US hospital–based Premier Healthcare Database. Demographic information was collected, mortality rates calculated, and principal diagnoses categorized.
Results: Of 55,152 unique patients with MS identified, 1518 died. Mean age at death was 10 years younger for the MS group (63.4 years) than for the DM (73.3 years) and GHP (73.1 years) groups. Age-adjusted mortality rates, based on the 2000 US Standard Million Population, were 1077, 1248, and 1133 per 100,000, respectively. Infection was the most common principal diagnosis at the hospital stay during which the patient died in the MS cohort (43.1% vs. 26.3% and 24.0% in the DM and GHP groups, respectively). Other common principal diagnoses in the MS group included pulmonary (17.5%) and cardiovascular (12.1%) disease. Septicemia/sepsis/septic shock was a secondary diagnosis for 50.7% of patients with MS versus 36.0% and 31.0% of patients in the DM and GHP cohorts, respectively.
Conclusions: Patients with MS had a shorter life span than patients with DM or the GHP and were more likely to have a principal diagnosis of infection at their final hospital stay. However, the database was limited to codes recorded in the hospital; diagnoses received outside the hospital were not captured.
Impact of inherent meteorology uncertainty on air quality model predictions
Authors: Gilliam Robert C. , Hogrefe Christian , Godowitch James M. , Napelenok Sergey , Mathur Rohit , Rao S. Trivikrama 
Published: November 2015

AbstractIt is well established that there are a number of different classifications and sources of uncertainties in environmental modeling systems. Air quality models rely on two key inputs, namely, meteorology and emissions. When using air quality models for decision making, it is important to understand how uncertainties in these inputs affect the simulated concentrations. Ensembles are one method to explore how uncertainty in meteorology affects air pollution concentrations. Most studies explore this uncertainty by running different meteorological models or the same model with different physics options and in some cases combinations of different meteorological and air quality models. While these have been shown to be useful techniques in some cases, we present a technique that leverages the initial condition perturbations of a weather forecast ensemble, namely, the Short‐Range Ensemble Forecast system to drive the four‐dimensional data assimilation in the Weather Research and Forecasting (WRF)‐Community Multiscale Air Quality (CMAQ) model with a key focus being the response of ozone chemistry and transport. Results confirm that a sizable spread in WRF solutions, including common weather variables of temperature, wind, boundary layer depth, clouds, and radiation, can cause a relatively large range of ozone‐mixing ratios. Pollutant transport can be altered by hundreds of kilometers over several days. Ozone‐mixing ratios of the ensemble can vary as much as 10–20 ppb or 20–30% in areas that typically have higher pollution levels.
Suppression of agrin‐22 production and synaptic dysfunction in Cln1−/− mice
Authors: Peng Shiyong , Xu Jianhua , Pelkey Kenneth A. , Chandra Goutam , Zhang Zhongjian , Bagh Maria B. , Yuan Xiaoqing , Wu Ling‐Gang , McBain Chris J. , Mukherjee Anil B. 
Published: November 2015

AbstractObjectiveOxidative stress in the brain is highly prevalent in many neurodegenerative disorders including lysosomal storage disorders, in which neurodegeneration is a devastating manifestation. Despite intense studies, a precise mechanism linking oxidative stress to neuropathology in specific neurodegenerative diseases remains largely unclear.MethodsInfantile neuronal ceroid lipofuscinosis (INCL) is a devastating neurodegenerative lysosomal storage disease caused by mutations in the ceroid lipofuscinosis neuronal‐1 (CLN1) gene encoding palmitoyl‐protein thioesterase‐1. Previously, we reported that in the brain of Cln1−/− mice, which mimic INCL, and in postmortem brain tissues from INCL patients, increased oxidative stress is readily detectable. We used molecular, biochemical, immunohistological, and electrophysiological analyses of brain tissues of Cln1−/− mice to study the role(s) of oxidative stress in mediating neuropathology.ResultsOur results show that in Cln1−/− mice oxidative stress in the brain via upregulation of the transcription factor, CCAAT/enhancer‐binding protein‐δ, stimulated expression of serpina1, which is an inhibitor of a serine protease, neurotrypsin. Moreover, in the Cln1−/− mice, suppression of neurotrypsin activity by serpina1 inhibited the cleavage of agrin (a large proteoglycan), which substantially reduced the production of agrin‐22, essential for synaptic homeostasis. Direct whole‐cell recordings at the nerve terminals of Cln1−/− mice showed inhibition of Ca2+ currents attesting to synaptic dysfunction. Treatment of these mice with a thioesterase‐mimetic small molecule, N‐tert (Butyl) hydroxylamine (NtBuHA), increased agrin‐22 levels.InterpretationOur findings provide insight into a novel pathway linking oxidative stress with synaptic pathology in Cln1−/− mice and suggest that NtBuHA, which increased agrin‐22 levels, may ameliorate synaptic dysfunction in this devastating neurodegenerative disease.
When Patients Write the Guidelines: Patient Panel Recommendations for the Treatment of Rheumatoid Arthritis
Authors: Fraenkel Liana , Miller Amy S. , Clayton Kelly , Crow‐Hercher Rachelle , Hazel Shantana , Johnson Britt , Rott Leslie , White Whitney , Wiedmeyer Carole , Montori Victor M. , Singh Jasvinder A. , Nowell W. Benjamin 
Published: November 2015

ObjectiveHow best to involve patients in the development of clinical practice guideline (CPG) recommendations is not known. We sought to determine the feasibility and value of developing CPG recommendations based on a voting panel composed entirely of patients, with the ultimate goal of comparing the patients’ recommendations to ones developed by a physician‐dominated voting panel on the same clinical questions.MethodsTen patients with rheumatoid arthritis completed 8 hours of training on evidence‐based medicine and guideline development. They constituted a voting panel and, with 2 American College of Rheumatology staff with expertise in CPG development and a physician facilitator, subsequently met at a face‐to‐face meeting to develop recommendations. They applied the Grading of Recommendations, Assessment, Development and Evaluation (GRADE) methodology to formulate recommendations on 18 questions for which there was evidence warranting moderate or high confidence.ResultsThe patient panel developed recommendations for 16 of the 18 questions; for the other 2, the panel thought there were insufficient data to support a recommendation. For 13 of the 16 questions, the patient panel recommended the same course of action as did the physician‐dominated panel. Differences were due to how the 2 panels valued the balance between benefits and harms.ConclusionPatient and physician‐dominated panels developed the same recommendations for most questions for which there was evidence warranting moderate to high confidence. Additional experiences are necessary to advance the evidence necessary to determine what panel composition is optimal to produce the best guidelines.
Potassium 4,5‐Bis(dinitromethyl)furoxanate: A Green Primary Explosive with a Positive Oxygen Balance
Authors: He Chunlin , Shreeve Jean'ne M. 
Published: November 2015

AbstractPotassium 4,5‐bis(dinitromethyl)furoxanate was synthesized readily from cyanoacetic acid. It was characterized by IR spectroscopy, elemental analysis, NMR spectroscopy, and differential scanning calorimetry (DSC), and the structure was confirmed by X‐ray single‐crystal diffraction. Its positive oxygen balance, high density (2.130 g cm−3), sensitivity (IS=2 J, FS=5 N), and calculated heat of formation (−421.0 kJ mol−1), combined with its calculated superior detonation performance (D=7759.0 m s−1, P=27.3 GPa), make it a competitive replacement as a green primary explosive.
A Type of Auxiliary for Native Chemical Peptide Ligation beyond Cysteine and Glycine Junctions
Authors: Loibl Simon F. , Harpaz Ziv , Seitz Oliver 
Published: November 2015

AbstractNative chemical ligation enables the chemical synthesis of proteins. Previously, thiol‐containing auxiliary groups have been used to extend the reaction scope beyond N‐terminal cysteine residues. However, the N‐benzyl‐type auxiliaries used so far result in rather low reaction rates. Herein, a new Nα‐auxiliary is presented. Consideration of a radical fragmentation for cleavage led to the design of a new auxiliary group which is selectively removed under mildly basic conditions (pH 8.5) in the presence of TCEP and morpholine. Most importantly and in contrast to previously described auxiliaries, the 2‐mercapto‐2‐phenethyl auxiliary is not limited to Gly‐containing sites and ligations succeed at sterically demanding junctions. The auxiliary is introduced in high yield by on‐resin reductive amination with commercially available amino acid building blocks. The synthetic utility of the method is demonstrated by the synthesis of two antimicrobial proteins, DCD‐1L and opistoporin‐2.
Asymmetric Brønsted Acid Catalyzed Synthesis of Triarylmethanes—Construction of Communesin and Spiroindoline Scaffolds
Authors: Liao Hsuan‐Hung , Chatupheeraphat Adisak , Hsiao Chien‐Chi , Atodiresei Iuliana , Rueping Magnus 
Published: November 2015

AbstractAza‐ortho‐quinone methides allow the straightforward asymmetric synthesis of natural‐product‐inspired indole scaffolds possessing a quaternary stereocenter. Our approach provides access to diverse communesin and spiroindoline derivatives with high enantioselectivity under mild reaction conditions. Predictable substitution patterns are found to be the key to our regiodivergent protocols.
Designed Synthesis of van der Waals Heterostructures: The Power of Kinetic Control
Authors: Alemayehu Matti B. , Falmbigl Matthias , Ta Kim , Ditto Jeffrey , Medlin Douglas L. , Johnson David C. 
Published: November 2015

AbstractSelecting specific 2D building blocks and specific layering sequences of van der Waals heterostructures should allow the formation of new materials with designed properties for specific applications. Unfortunately, the synthetic ability to prepare such structures at will, especially in a manner that can be manufactured, does not exist. Herein, we report the targeted synthesis of new metal–semiconductor heterostructures using the modulated elemental‐reactant technique to nucleate specific 2D building blocks, control their thickness, and avoid epitaxial structures with long‐range order. The building blocks, VSe2 and GeSe2, have different crystal structures, which inhibits cation intermixing. The precise control of this approach enabled us to synthesize heterostructures containing GeSe2 monolayers alternating with VSe2 structural units with specific sequences. The transport properties systematically change with nanoarchitecture and a charge‐density wave‐like transition is observed.
A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain‐Permeable OGA Inhibitors
Authors: Bergeron‐Brlek Milan , Goodwin‐Tindall Jake , Cekic Nevena , Roth Christian , Zandberg Wesley F. , Shan Xiaoyang , Varghese Vimal , Chan Sherry , Davies Gideon J. , Vocadlo David J. , Britton Robert 
Published: November 2015

AbstractPyrrolidine‐based iminocyclitols are a promising class of glycosidase inhibitors. Reported herein is a convenient epimerization strategy that provides direct access to a range of stereoisomeric iminocyclitol inhibitors of O‐GlcNAcase (OGA), the enzyme responsible for catalyzing removal of O‐GlcNAc from nucleocytoplasmic proteins. Structural details regarding the binding of these inhibitors to a bacterial homologue of OGA reveal the basis for potency. These compounds are orally available and permeate into rodent brain to increase O‐GlcNAc, and should prove useful tools for studying the role of OGA in health and disease.
Energy‐Level Alignment for Single‐Molecule Conductance of Extended Metal‐Atom Chains
Authors: Ting Ta‐Cheng , Hsu Liang‐Yan , Huang Min‐Jie , Horng Er‐Chien , Lu Hao‐Cheng , Hsu Chan‐Hsiang , Jiang Ching‐Hong , Jin Bih‐Yaw , Peng Shie‐Ming , Chen Chun‐hsien 
Published: November 2015

AbstractThe use of single‐molecule junctions for various functions constitutes a central goal of molecular electronics. The functional features and the efficiency of electron transport are dictated by the degree of energy‐level alignment (ELA), that is, the offset potential between the electrode Fermi level and the frontier molecular orbitals. Examples manifesting ELA are rare owing to experimental challenges and the large energy barriers of typical model compounds. In this work, single‐molecule junctions of organometallic compounds with five metal centers joined in a collinear fashion were analyzed. The single‐molecule i–V scans could be conducted in a reliable manner, and the EFMO levels were electrochemically accessible. When the electrode Fermi level (EF) is close to the frontier orbitals (EFMO) of the bridging molecule, larger conductance was observed. The smaller |EF−EFMO| gap was also derived quantitatively, unambiguously confirming the ELA. The mechanism is described in terms of a two‐level model involving co‐tunneling and sequential tunneling processes.
Colloidal CsPbBr3 Perovskite Nanocrystals: Luminescence beyond Traditional Quantum Dots
Authors: Swarnkar Abhishek , Chulliyil Ramya , Ravi Vikash Kumar , Irfanullah Mir , Chowdhury Arindam , Nag Angshuman 
Published: November 2015

AbstractTraditional CdSe‐based colloidal quantum dots (cQDs) have interesting photoluminescence (PL) properties. Herein we highlight the advantages in both ensemble and single‐nanocrystal PL of colloidal CsPbBr3 nanocrystals (NCs) over the traditional cQDs. An ensemble of colloidal CsPbBr3 NCs (11 nm) exhibits ca. 90 % PL quantum yield with narrow (FWHM=86 meV) spectral width. Interestingly, the spectral width of a single‐NC and an ensemble are almost identical, ruling out the problem of size‐distribution in PL broadening. Eliminating this problem leads to a negligible influence of self‐absorption and Förster resonance energy transfer, along with batch‐to‐batch reproducibility of NCs exhibiting PL peaks within ±1 nm. Also, PL peak positions do not alter with measurement temperature in the range of 25 to 100 °C. Importantly, CsPbBr3 NCs exhibit suppressed PL blinking with ca. 90 % of the individual NCs remain mostly emissive (on‐time >85 %), without much influence of excitation power.
In‐Membrane Chemical Modification (IMCM) for Site‐Specific Chromophore Labeling of GPCRs
Authors: Sušac Lukas , O'Connor Casey , Stevens Raymond C. , Wüthrich Kurt 
Published: November 2015

AbstractWe present in‐membrane chemical modification (IMCM) for obtaining selective chromophore labeling of intracellular surface cysteines in G‐protein‐coupled receptors (GPCRs) with minimal mutagenesis. This method takes advantage of the natural protection of most cysteines by the membrane environment. Practical use of IMCM is illustrated with the site‐specific introduction of chromophores for NMR and fluorescence spectroscopy in the human κ‐opioid receptor (KOR) and the human A2A adenosine receptor (A2AAR). IMCM is applicable to a wide range of in vitro studies of GPCRs, including single‐molecule spectroscopy, and is a promising platform for in‐cell spectroscopy experiments.
Exploiting Electrostatics To Generate Unsaturation: Oxidative GeE Bond Formation Using a Non π‐Donor Stabilized [R(L)Ge:]+ Cation
Authors: Rit Arnab , Tirfoin Rémi , Aldridge Simon 
Published: November 2015

AbstractThe two‐coordinate germanium cation [(IDipp){(Me3Si)2CH}Ge:]+ has been synthesized, which lacks π‐donor stabilization of the metal center and consequently has a very small HOMO–LUMO gap (187 kJ mol−1). It undergoes a variety of facile oxidative bond‐forming reactions, most notably allowing access to the first examples of Group 14 metal cations containing ME multiple bonds (E=C, N). The use of an electrostatic (rather than purely steric) strategy to discourage aggregation means that less bulky systems (for example, containing a primary alkylidene fragment, CHR) are accessible.
Collective Total Syntheses of Atisane‐Type Diterpenes and Atisine‐Type Diterpenoid Alkaloids: (±)‐Spiramilactone B, (±)‐Spiraminol, (±)‐Dihydroajaconine, and (±)‐Spiramines C and D
Authors: Cheng Hang , Zeng Fan‐Hao , Yang Xue , Meng Yin‐Juan , Xu Liang , Wang Feng‐Peng 
Published: November 2015

AbstractThe first total syntheses of the architecturally complex atisane‐type diterpenes and biogenetically related atisine‐type diterpenoid alkaloids (±)‐spiramilactone B, (±)‐spiraminol, (±)‐dihydroajaconine, and (±)‐spiramines C and D are reported. Highlights of the synthesis include a late‐stage biomimetic transformation of spiramilactone B, a facile formal lactone migration from the pentacyclic skeleton of spiramilactone E, a highly efficient and diastereoselective 1,7‐enyne cycloisomerization to construct the functionalized tetracyclic atisane skeleton, and a tandem retro‐Diels–Alder/intramolecular Diels–Alder sequence to achieve the tricyclo[6.2.2.0] ring system.
Dual‐Mode Controlled Self‐Assembly of TiO2 Nanoparticles Through a Cucurbit[8]uril‐Enhanced Radical Cation Dimerization Interaction
Authors: Zhang Qi , Qu Da‐Hui , Wang Qiao‐Chun , Tian He 
Published: November 2015

AbstractThe realization of controllable multicomponent self‐assembly through reversible supramolecular interactions is a challenging goal, and is an important strategy for the fabrication of switchable nanomaterials. Herein we show that the self‐assembly of TiO2 nanoparticles (NP) functionalized with methyl viologen can be controlled both by light irradiation and chemical reduction through cucurbit[8]uril‐enhanced radical cation dimerization interactions. Moreover, the controlled assembly and disassembly of this system are accompanied by switchable photocatalytic activity of the TiO2 NPs, which shows potential application as a novel smart and recyclable photocatalyst.
An Unusual Chimeric Diterpene Synthase from Emericella variecolor and Its Functional Conversion into a Sesterterpene Synthase by Domain Swapping
Authors: Qin Bin , Matsuda Yudai , Mori Takahiro , Okada Masahiro , Quan Zhiyang , Mitsuhashi Takaaki , Wakimoto Toshiyuki , Abe Ikuro 
Published: November 2015

AbstractDi‐ and sesterterpene synthases produce C20 and C25 isoprenoid scaffolds from geranylgeranyl pyrophosphate (GGPP) and geranylfarnesyl pyrophosphate (GFPP), respectively. By genome mining of the fungus Emericella variecolor, we identified a multitasking chimeric terpene synthase, EvVS, which has terpene cyclase (TC) and prenyltransferase (PT) domains. Heterologous gene expression in Aspergillus oryzae led to the isolation of variediene (1), a novel tricyclic diterpene hydrocarbon. Intriguingly, in vitro reaction with the enzyme afforded the new macrocyclic sesterterpene 2 as a minor product from dimethylallyl pyrophosphate (DMAPP) and isopentenyl pyrophosphate (IPP). The TC domain thus produces the diterpene 1 and the sesterterpene 2 from GGPP and GFPP, respectively. Notably, a domain swap of the PT domain of EvVS with that of another chimeric sesterterpene synthase, EvSS, successfully resulted in the production of 2 in vivo as well. Cyclization mechanisms for the production of these two compounds are proposed.
Preparation for Magnetic Nanoparticles Fe3O4 and Fe3O4@SiO2 and Heterogeneous Fenton Catalytic Degradation of Methylene Blue
Authors: Xie Huanling , He Wei , Chen Ge 
Published: November 2015

AbstractDyestuff textile wastewater treatment has become a research hotspot due to its high chroma, poor biodegradability, and low toxicity characteristics. In this paper, we have synthesized magnetic Fe3O4 and core‐shell Fe3O4@SiO2 materials by hydrothermal methods. These materials were characterized by XRD, TEM, N2 adsorption‐desorption and so on. These materials’ heterogeneous Fenton has been applied to dye wastewater treatment. Methylene blue was used as a typical target of dye wastewater. Decolorization ratios of methylene blue were determined by different nanostructure composites catalysts. A serious of results of study showed that decolorization ratios of magnetic nanoparticles and core‐shell composites arrived at above 90 % under the weakly acidic or neutral conditions and room temperature. When these catalysts were reused, the results show that Fe3O4@SiO2 materials were possessed with good cycle performance.