bluuebunny/crossref_metadata_2025_split huggingface dataset:
Sensitizing DNA Towards Low‐Energy Electrons with 2‐Fluoroadenine
Authors: Rackwitz Jenny , Kopyra Janina , Dąbkowska Iwona , Ebel Kenny , Ranković MiloŠ Lj. , Milosavljević Aleksandar R. , Bald Ilko 
Published: August 2016

Abstract2‐Fluoroadenine (2FA) is a therapeutic agent, which is suggested for application in cancer radiotherapy. The molecular mechanism of DNA radiation damage can be ascribed to a significant extent to the action of low‐energy (<20 eV) electrons (LEEs), which damage DNA by dissociative electron attachment. LEE induced reactions in 2FA are characterized both isolated in the gas phase and in the condensed phase when it is incorporated into DNA. Information about negative ion resonances and anion‐mediated fragmentation reactions is combined with an absolute quantification of DNA strand breaks in 2FA‐containing oligonucleotides upon irradiation with LEEs. The incorporation of 2FA into DNA results in an enhanced strand breakage. The strand‐break cross sections are clearly energy dependent, whereas the strand‐break enhancements by 2FA at 5.5, 10, and 15 eV are very similar. Thus, 2FA can be considered an effective radiosensitizer operative at a wide range of electron energies.
Photon Energy Becomes the Third Dimension in Crystallographic Texture Analysis
Authors: Grünewald Tilman A. , Rennhofer Harald , Tack Pieter , Garrevoet Jan , Wermeille Didier , Thompson Paul , Bras Wim , Vincze Laszlo , Lichtenegger Helga C. 
Published: August 2016

AbstractConventional analysis of the preferred orientation of crystallites (crystallographic texture) involves X‐ray diffraction with area detectors and 2D data output. True 3D, spatially resolved information requires sample rotation in the beam, thus changing the probed volume, which introduces signal smearing and precludes the scanning of complex structures. This obstacle has been overcome by energy‐dispersive Laue diffraction. A method has been devised to reach a large portion of reciprocal space and translate the X‐ray photon energy into the missing third dimension of space. Carbon fibers and lobster exoskeleton as examples of biomineralized tissue have been analyzed. The major potential of this method lies in its “one‐shot” nature and the direct 3D information requiring no previous knowledge of the sample. It allows the texture of large samples with complex substructures to be scanned and opens up the conceptual possibility of following texture changes in situ, for example, during crystallization.
A Precise Chemical Strategy To Alter the Receptor Specificity of the Adeno‐Associated Virus
Authors: Kelemen Rachel E. , Mukherjee Raja , Cao Xiaofu , Erickson Sarah B. , Zheng Yunan , Chatterjee Abhishek 
Published: August 2016

AbstractThe ability to target the adeno‐associated virus (AAV) to specific types of cells, by altering the cell‐surface receptor it binds, is desirable to generate safe and efficient therapeutic vectors. Chemical attachment of receptor‐targeting agents onto the AAV capsid holds potential to alter its tropism, but is limited by the lack of site specificity of available conjugation strategies. The development of an AAV production platform is reported that enables incorporation of unnatural amino acids (UAAs) into specific sites on the virus capsid. Incorporation of an azido‐UAA enabled site‐specific attachment of a cyclic‐RGD peptide onto the capsid, retargeting the virus to the αvβ3 integrin receptors, which are overexpressed in tumor vasculature. Retargeting ability was site‐dependent, underscoring the importance of achieving site‐selective capsid modification. This work provides a general chemical approach to introduce various receptor binding agents onto the AAV capsid with site selectivity to generate optimized vectors with engineered infectivity.
Labilizing the Photoinert: Extraordinarily Facile Photochemical Ligand Ejection in an [Os(N^N)3]2+ Complex
Authors: Scattergood Paul A. , Ross Daniel A. W. , Rice Craig R. , Elliott Paul I. P. 
Published: August 2016

AbstractWhilst [Os(N^N)3]2+ complexes are supposed to be photochemically inert to ligand loss, the complex [Os(btz)3]2+ (btz=1,1′‐dibenzyl‐4,4′‐bi‐1,2,3‐triazolyl) undergoes unprecedented photolytic reactivity to liberate free btz (Φ363≈1.2 %). Further, both cis and trans isomers of the photodechelated ligand‐loss solvento intermediate [Os(κ2‐btz)2(κ1‐btz)(NCMe)]2+ are unambiguously observed and characterized by NMR spectroscopy and mass spectrometry.
Chemical Twinning of Salt and Metal in the Subnitridometalates Ba23Na11(MN4)4 with M=V, Nb, Ta
Authors: Wörsching Matthias , Tambornino Frank , Datz Stefan , Hoch Constantin 
Published: August 2016

AbstractThe subnitridometalates Ba23Na11(MN4)4 (M=V, Nb, Ta) crystallize in a new structure type, which shows ionic ortho‐nitridometalate anions and motifs from simple (inter)metallic packings: Na‐centered [Na8] cubes as cutouts of the bcc structure of elemental Na and Na‐centered [Ba10Na2] icosahedra as found in Laves phases, for example. Single‐crystal and powder X‐ray diffraction studies in combination with quantum‐chemical calculations of the electronic structure and Raman spectroscopy support the characterization of the subnitridometalates as “chemical twins”. They consist of independent building units with locally prevalent ionic or metallic bonding in an overall metallic compound.
Coding in 2D: Using Intentional Dispersity to Enhance the Information Capacity of Sequence‐Coded Polymer Barcodes
Authors: Laure Chloé , Karamessini Denise , Milenkovic Olgica , Charles Laurence , Lutz Jean‐François 
Published: August 2016

AbstractA 2D approach was studied for the design of polymer‐based molecular barcodes. Uniform oligo(alkoxyamine amide)s, containing a monomer‐coded binary message, were synthesized by orthogonal solid‐phase chemistry. Sets of oligomers with different chain‐lengths were prepared. The physical mixture of these uniform oligomers leads to an intentional dispersity (1st dimension fingerprint), which is measured by electrospray mass spectrometry. Furthermore, the monomer sequence of each component of the mass distribution can be analyzed by tandem mass spectrometry (2nd dimension sequencing). By summing the sequence information of all components, a binary message can be read. A 4‐bytes extended ASCII‐coded message was written on a set of six uniform oligomers. Alternatively, a 3‐bytes sequence was written on a set of five oligomers. In both cases, the coded binary information was recovered.
Aging studies on flame retardant treated lignocellulosic fibers
Authors: Molaba Tshepiso Princess , Chapple Steve , John Maya Jacob 
Published: August 2016

ABSTRACTThe study deals with chemical and flame retardant (FR) treatment of flax fabric. Sheets of flax fabric were subjected to chemical treatments using NaOH and silane coupling agents. A phosphate‐based flame retardant (DAP) was also applied to improve the flammability of the fabric. The effects of the chemical treatments and FR treatments on flax fabric were investigated using Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), and vertical flame resistance test. Aging studies were carried out by exposing the samples in an environmental chamber at specified conditions for two weeks. The mechanical properties of the fabric, before and after environmental aging, were investigated. Flammability of flax fabric was improved after FR treatment. Thermal studies revealed a shift of decomposition temperature to lower temperatures and an increase in char residue after FR treatment. Despite treatment of the fabric with NaOH and silane, the tensile strength of FR‐treated flax fabric declined by more than 90% after aging for two weeks at 90 °C and 50% RH. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2016,133, 44175.
Thermal and mechanical properties of nanocomposites based on a PLLA‐b‐PEO‐b‐PLLA triblock copolymer and nanohydroxyapatite
Authors: Loiola Lívia M. D. , Fasce Laura A. , da Silva Laura C. E. , Gonçalves Maria C. , Frontini Patricia M. , Felisberti Maria I. 
Published: August 2016

ABSTRACTComposites which combine biocompatible polymers and hydroxyapatite are unique materials with regards to their mechanical properties and bioactivity in the development of temporary bone‐fixation devices. Nanocomposites based on a biocompatible and amphiphilic triblock copolymer of poly(l‐lactide) (PLLA) and poly(ethylene oxide) (PEO) —PLLA‐b‐PEO‐b‐PLLA— and neat (nHAp) or PEO‐modified (nHAp@PEO) hydroxyapatite nanoparticles were prepared by dispersion in benzene solutions, followed by freeze‐drying and injection moulding processes. The morphology of the copolymers of a PEO block dispersed throughout a PLLA matrix was not changed with addition of the nanofillers. The nHAp particles were spherical and, after modification, the nHAp@PEO nanoparticles were partially agglomerated. In the nanocomposites, these particles characteristics remained unchanged, and the nHAp particles and nHAp@PEO agglomerates were uniformly dispersed through the copolymer matrix. These particles acted as nucleating agents, with nHAp@PEO being more efficient. The incorporation of nHAp increased both the reduced elastic modulus (∼22%) and the indentation hardness (∼15%) in comparison to the copolymer matrix, as determined by nanoindentation tests, while nHAp@PEO addition resulted in lower increments of these mechanical parameters. The incorporation of untreated nHAp was, therefore, more beneficial with regards to the mechanical properties, since the amphiphilic PLLA‐b‐PEO‐b‐PLLA matrix was already efficient for nHAp nanoparticles dispersion. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 44187.
Compatibilization of poly(lactic acid)/ethylene‐propylene‐diene rubber blends by using organic montmorillonite as a compatibilizer
Authors: Wang Sisi , Pang Sujuan , Pan Lisha , Xu Nai , Huang Hanxiong , Li Tan 
Published: August 2016

ABSTRACTThis work focuses on phase morphology and properties of immiscible poly(lactic acid)/ethylene‐propylene‐diene rubber (PLA/EPDM) blends compatibilized with organic montmorillonite (OMMT). Effect of OMMT loading on phase morphology, mechanical properties, and blown film bubble stability was investigated. Transmission electron micrographs show that a large number of OMMT nanolayers locate at interfacial region between PLA and EPDM phase, as well as in EPDM phase due to higher affinity of OMMT with EPDM. Scanning electron micrographs show that EPDM domain size decreases largely with increasing OMMT loading, which is associated with reduction of interfacial energy and inhibition of coalescence by the OMMT locating at the interface, acting as an emulsifier to enwrap the discrete domains. As OMMT loading increases from 0 to 1 phr, elongation at break increases from 20.4 to 151.7% and notched impact strength is enhanced from 8.2 to 31.7 kJċm−2. The reduced EPDM domain is the main reason for enhanced toughness of PLA/EPDM/OMMT samples according to crazing with shear yielding mechanism. However, with more than 2 phr of OMMT, the toughness decreases largely due to excessive stress concentration and OMMT aggregation. Attempts were made to produce ductile films from the PLA/EPDM/OMMT nanocomposites by using blown film extrusion. Improvement in blown film bubble stability and tensile ductility of PLA/EPDM/OMMT films also shows that OMMT is an efficient compatibilizer, as well as a processing aid for PLA/EPDM blends. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 44192.
Improving thermo‐oxidative degradation resistance of bamboo fiber reinforced polypropylene composite with antioxidants. Part I: Screening of antioxidants
Authors: Ren D. , Zhang X. X. , Wang H. K. , Li W. J. , Yu Y. 
Published: August 2016

ABSTRACTIn this study, the effect of antioxidant application (applied in different combinations, ratios and contents) on the thermo‐oxidative degradation resistance of bamboo fiber polypropylene composites (BFPCs) were investigated, with oxidative induction time (OIT), weight loss, surface color, and flexural mechanical properties as the main indicators for evaluation. The results showed the addition of antioxidants could greatly increase the OIT and reduce the weight loss and color change of the composites after 900 h of thermal weathering. Meanwhile, the flexural mechanical properties were little affected or even slightly improved. The combination of 1076 and DLTP antioxidants at a ratio of 2:1 and 0.2 wt % content was found to exhibit the best thermal oxidation resistance with respect to the OIT, mechanical properties and cost. Our study indicate that the OIT can serve as a simple and quick indicator for the evaluation of thermo‐oxidative resistance of BFPC. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 44198.
The Pharmacogenomic Association of Fcγ Receptors and Cytochrome P450 Enzymes With Response to Rituximab or Cyclophosphamide Treatment in Antineutrophil Cytoplasmic Antibody–Associated Vasculitis
Authors: Cartin‐Ceba Rodrigo , Indrakanti Divya , Specks Ulrich , Stone John H. , Hoffman Gary S. , Kallenberg Cees G. M. , Langford Carol A. , Merkel Peter A. , Spiera Robert F. , Monach Paul A. , St.Clair E. William , Seo Philip , Tchao Nadia K. , Ytterberg Steven R. , Brunetta Paul G. , Song Huijuan , Birmingham Dan , Rovin Brad H. ,   for the RAVE–Immune Tolerance Network Research Group
Published: August 2016

ObjectiveThe Rituximab in ANCA‐Associated Vasculitis (RAVE) trial compared rituximab to cyclophosphamide as induction therapy for the treatment of antineutrophil cytoplasmic antibody (ANCA)–associated vasculitis. We undertook the current study to determine whether known single‐nucleotide polymorphisms (SNPs) for Fcγ receptors (FcγR) or cytochrome P450 (CYP) enzymes were associated with the response to treatment with rituximab and cyclophosphamide, respectively.MethodsFunctional SNPs for FcγR (FcγRIIa 519G>A, FcγRIIb 695T>C, FcγRIIIa 559T>G) and CYP enzymes (CYP2B6 1459C>T, CYP2C19 681G>A) were analyzed by direct sequencing of polymerase chain reaction–amplified genomic DNA. Each SNP was tested as a predictor of complete remission at 6 months or remission with continued prednisone administration using logistic regression and including the covariates of baseline Birmingham Vasculitis Activity Score for Wegener's Granulomatosis, ANCA type, and new versus relapsing disease. The associations of these SNPs with the secondary outcomes of time to complete remission, time to relapse, or time to B cell reconstitution were analyzed by Cox proportional hazard tests.ResultsNo significant associations were identified between complete remission and any FcγR genotype in the rituximab group or any CYP genotype in the cyclophosphamide group. However, when the treatment groups were combined, an association was found between the 519AA genotype of FcγRIIa and complete remission (P = 0.01). The 519AA genotype predicted complete remission (P = 0.006) and a shorter time to complete remission (P < 0.001).ConclusionThe finding that the homozygous FcγRIIa 519AA variant was associated with complete response and a shorter time to complete response in the RAVE trial, independent of treatment type, implies that FcγRIIa may be broadly involved in disease pathogenesis and response to therapy.
Differences in the Spectrum of Anti–Citrullinated Protein Antibody Fine Specificities Between Malaysian and Swedish Patients With Rheumatoid Arthritis: Implications for Disease Pathogenesis
Authors: Too Chun Lai , Murad Shahnaz , Hansson Monika , Alm Linda Mathsson , Dhaliwal Jasbir Singh , Holmdahl Rikard , Jakobsson Per‐Johan , Alfredsson Lars , Klareskog Lars , Rönnelid Johan , Padyukov Leonid 
Published: August 2016

ObjectiveAntibodies to the citrullinated protein antigens (ACPAs) are important in the diagnosis and pathogenesis of rheumatoid arthritis (RA). However, the prevalence of ACPAs with different fine specificities in different populations is unclear. This study sought to examine the fine specificity of the antibody responses toward citrullinated proteins in RA patients from Malaysia, an area where genetic and environmental determinants of RA are different from those in more frequently studied cohorts of Caucasian subjects.MethodsA multiplex analytic microarray system was used to analyze the occurrence of antibodies to 10 different citrullinated peptides (filaggrin [fil307–324], vimentin [Vim2–17, Vim60–75], fibrinogen [Fibα563–583, Fibα580–600, Fibβ36–52, Fibβ62–81a, Fibβ62–81b], enolase [Eno5–21], and type II collagen [CitCII355–378]) in serum samples from 4,089 RA patients (1,231 Malaysian and 2,858 Swedish) and 827 healthy control subjects (249 Malaysian and 578 Swedish). The positive reaction threshold for each peptide was set separately for each population based on a specificity of 98%.ResultsDistinct differences in the frequencies of 5 ACPA fine specificities (Vim60–75, Vim2–17, Fibβ62–81b, Eno5–21, and CitCII355–378) were found between the Malaysian and Swedish RA populations, despite a nearly identical percentage of patients in each population who were positive for anti–cyclic citrullinated peptide 2 antibodies. In Malaysian RA patients compared with Swedish RA patients, the frequencies of antibodies to Vim60–75 (54% versus 44%, corrected P [Pcorr] = 1.06 × 10−8) and CitCII355–378 (17% versus 13%, Pcorr = 0.02) were significantly higher, while the frequencies of antibodies to Vim2–17 (25% versus 32%, Pcorr = 1.91 × 10−4), Fibβ62–81b (15% versus 30%, Pcorr = 2.47 × 10−22), and Eno5–21 (23% versus 50%, Pcorr = 3.64 × 10−57) were significantly lower.ConclusionSerum ACPA fine specificities differ between RA patients in different populations, although the total proportions of individuals positive for ACPAs are similar. Differing patterns of ACPA fine specificity could be attributed to variations in genetic and/or environmental factors.
Design of cyclic peptides with biological activities from biologically active peptides: the case of peptide modulators of melanocortin receptors
Authors: Hruby Victor J. 
Published: August 2016

AbstractDesign of biologically active peptides is of critical importance for the development of potent, selective, nontoxic bioavailable drugs. A major approach that has been developed to accomplish this is the development of methods for the design and synthesis of a wide variety of cyclic peptides and peptidomimetics. In this short and general review, we outline the methods that have been developed for cyclization of peptides and how these have been used for peptide and peptidomimetic design using the melanotropin peptides and melanocortin receptors MC1R, MC3R, MC4R, and MC5R to illustrate aspects of this approach.
Comparison of the National Early Warning Score in non-elective medical and surgical patients
Authors: Kovacs C , Jarvis S W , Prytherch D R , Meredith P , Schmidt P E , Briggs J S , Smith G B 
Published: August 2016

Abstract

Background
The National Early Warning Score (NEWS) is used to identify deteriorating patients in hospital. NEWS is a better discriminator of outcomes than other early warning scores in acute medical admissions, but it has not been evaluated in a surgical population. The study aims were to evaluate the ability of NEWS to discriminate cardiac arrest, death and unanticipated ICU admission in patients admitted to surgical specialties, and to compare the performance of NEWS in admissions to medical and surgical specialties.

Methods
Hospitalwide data over 31 months, from adult inpatients who stayed at least one night or died on the day of admission, were analysed. The data were categorized as elective or non-elective surgical or medical admissions. The ability of NEWS to discriminate the outcomes above in these different groups was assessed using the area under the receiver operating characteristic curve (AUROC).

Results
There were too few outcomes to permit meaningful comparison of elective admissions, so the analysis was constrained to comparison of non-elective admissions. NEWS performed equally well, or better, for surgical as for medical patients. For death within 24 h the AUROC for surgical admissions was 0·914 (95 per cent c.i. 0·907 to 0·922), compared with 0·902 (0·898 to 0·905) for medical admissions. For the combined outcome of any of death, cardiac arrest or unanticipated ICU admission, the AUROC was 0·874 (0·868 to 0·880) for surgical admissions and 0·874 (0·871 to 0·877) for medical admissions.

Conclusion
NEWS discriminated deterioration in non-elective surgical patients at least as well as in non-elective medical patients.
An expanded framework for biomolecular visualization in the classroom: Learning goals and competencies
Authors: Dries Daniel R. , Dean Diane M. , Listenberger Laura L. , Novak Walter R.P. , Franzen Margaret A. , Craig Paul A. 
Published: August 2016

AbstractA thorough understanding of the molecular biosciences requires the ability to visualize and manipulate molecules in order to interpret results or to generate hypotheses. While many instructors in biochemistry and molecular biology use visual representations, few indicate that they explicitly teach visual literacy. One reason is the need for a list of core content and competencies to guide a more deliberate instruction in visual literacy. We offer here the second stage in the development of one such resource for biomolecular three‐dimensional visual literacy. We present this work with the goal of building a community for online resource development and use. In the first stage, overarching themes were identified and submitted to the biosciences community for comment: atomic geometry; alternate renderings; construction/annotation; het group recognition; molecular dynamics; molecular interactions; monomer recognition; symmetry/asymmetry recognition; structure‐function relationships; structural model skepticism; and topology and connectivity. Herein, the overarching themes have been expanded to include a 12th theme (macromolecular assemblies), 27 learning goals, and more than 200 corresponding objectives, many of which cut across multiple overarching themes. The learning goals and objectives offered here provide educators with a framework on which to map the use of molecular visualization in their classrooms. In addition, the framework may also be used by biochemistry and molecular biology educators to identify gaps in coverage and drive the creation of new activities to improve visual literacy. This work represents the first attempt, to our knowledge, to catalog a comprehensive list of explicit learning goals and objectives in visual literacy. © 2016 by The International Union of Biochemistry and Molecular Biology, 45(1):69–75, 2017.