bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mesoporous Thin Films for Fluid Manipulation
Authors: Mercuri Magalí , Berli Claudio L. A. , Bellino Martín G. 
Published: November 2017

AbstractThe ability to control nanoflows is critical to design and fabricate ever more versatile nanosystems. Scientists are currently interested in finding ways to handle fluid dynamics inside nanoporous networks, not only to increase our knowledge of fluidic behavior but also to develop novel nanodevices that have potential utility in applications ranging from diagnostics to the production of high‐value chemicals. Here, we demonstrate how fluid motion can be manipulated by controlling the coexisting infiltration and evaporation phenomena in mesoporous films. A versatile actuation approach through liquid–vapor dynamic modulation was developed by integrating mesoporous substrates with a thermoelectric cell. This actuation resulted in fast and reversible fluid displacements through the mesoporous matrix, which was achieved with relatively small temperature variations by controlled voltage inputs. The versatility of the strategy is demonstrated by tunable cycling of fluid imbibition and switched nanofluidic connection of liquids into the substrate. This novel nanoflow manipulator could be the basis for smart nanofluidic devices toward exciting applications in actuators, controlled pattern formations and release systems.
A Shockley‐Type Polymer: Fullerene Solar Cell
Authors: Armin Ardalan , Chen Zhiming , Jin Yaocheng , Zhang Kai , Huang Fei , Shoaee Safa 
Published: November 2017

AbstractCharge extraction rate in solar cells made of blends of electron donating/accepting organic semiconductors is typically slow due to their low charge carrier mobility. This sets a limit on the active layer thickness and has hindered the industrialization of organic solar cells (OSCs). Herein, charge transport and recombination properties of an efficient polymer (NT812):fullerene blend are investigated. This system delivers power conversion efficiency of >9% even when the junction thickness is as large as 800 nm. Experimental results indicate that this material system exhibits exceptionally low bimolecular recombination constant, 800 times smaller than the diffusion‐controlled electron and hole encounter rate. Comparing theoretical results based on a recently introduced modified Shockley model for fill factor, and experiments, clarifies that charge collection is nearly ideal in these solar cells even when the thickness is several hundreds of nanometer. This is the first realization of high‐efficiency Shockley‐type organic solar cells with junction thicknesses suitable for scaling up.
Mechanistic Insight into the Heterogeneous Hydrogenation of Furan Derivatives with the use of Parahydrogen
Authors: Salnikov Oleg G. , Kovtunova Larisa M. , Skovpin Ivan V. , Bukhtiyarov Valerii I. , Kovtunov Kirill V. , Koptyug Igor V. 
Published: November 2017

AbstractParahydrogen‐induced polarization (PHIP) was shown to be a useful and unique technique to study the mechanisms of catalytic reactions involving hydrogen. In this paper, PHIP was utilized for mechanistic investigation of the gas‐phase hydrogenation of furan, 2,3‐dihydrofuran, and 2,5‐dihydrofuran over titania‐supported Rh, Pd, and Pt catalysts. In the hydrogenation of all three substrates over the Rh/TiO2 catalyst, the PHIP technique revealed the possibility of pairwise addition of two H atoms from the same H2 molecule with the formation of tetrahydrofuran molecules while retaining spin correlation between the added protons. In the hydrogenation of 2,3‐dihydrofuran over the Rh/TiO2 catalyst, PHIP effects were detected not only for tetrahydrofuran but also for the reactant (2,3‐dihydrofuran) at positions 2 and 3 of the heterocyclic ring. Such unexpected results are direct evidence for the pairwise replacement of the hydrogen atoms in 2,3‐dihydorfuran. A probable mechanism for this pairwise replacement includes sequential steps of addition and elimination of hydrogen atoms. In contrast, if the hydrogenation of 2,5‐dihydrofuran was performed over Rh/TiO2, PHIP effects were detected for all protons of 2,3‐dihydrofuran, implying that 2,3‐dihydrofuran could be formed from 2,5‐dihydrofuran not only through isomerization of the C=C bond but also through dehydrogenation of 2,5‐dihydrofuran to furan with subsequent semihydrogenation.
A Facile Supramolecular Approach towards Strategic Fluorescence Switching and Recognition‐Controlled Photoreduction
Authors: Roy Bappaditya , Noguchi Takao , Yoshihara Daisuke , Sakamoto Junji , Shinkai Seiji 
Published: November 2017

AbstractA supramolecular system design strategy to control photoreduction is reported. 1,4,5,8‐naphthalenediimide (NDI) was used as the core unit to synthesize two different sets of ionic aromatic amphiphiles (AA), one incorporating the NDI with an aliphatic chain (denoted NDI) and the other with a phenoxy‐based chain (denoted NDI‐Phe). These systems form self‐assembled structures which are different to those in their monomeric states and which can selectively be photoreduced to generate the radical anion (NDI‐Phe.−) and dianion (NDI2−) in the presence of dicarboxylic acids as the counter anion (CA). Interestingly, fluorescence (FL) switching was detected in the different redox states. The reduction mechanisms and the kinetics were found to be different for these two sets of AAs and the reduction kinetics were further controlled by the structurally different CAs. This unexpected observation reveals molecular recognition in the controlled‐assembly systems. The changes in spectroscopic output upon an electronic input have been described as a simple “off/on” FL switch. The appealing “bottom‐up” approach toward molecular device fabrication is possible only in molecular assembly systems such as these.
Metallic Nano‐Composite Toxicity Evaluation by Zebrafish Embryo Toxicity Test with Identification of Specific Exposure Biomarkers
Authors: Pecoraro Roberta , Salvaggio Antonio , Marino Fabio , Caro Gianfranco Di , Capparucci Fabiano , Lombardo Bianca Maria , Messina Giuseppina , Scalisi Elena Maria , Tummino Maurizio , Loreto Francesco , D'Amante Giusi , Avola Roberto , Tibullo Daniele , Brundo Maria Violetta 
Published: November 2017

AbstractNanomaterials (NM) have different shapes and can be composed of different materials such as carbon, silicon, and some metals like gold, silver, and titanium. They are used as fillers, catalysts, semiconductors, cosmetics, drug carriers in medicine, energy storage systems, and antifriction coatings. NM are the parent compounds of nanoparticles (NPs), which may be divided into two groups: fullerenes and engineered nanoparticles (ENPs). After crossing the cell membrane, NPs may be stored in vesicles, mitochondria, and additional organelles within epithelial cells. They may generate reactive oxygen species, oxidative stress, and cytotoxicity, as well as denaturation of proteins, apoptosis, and necrosis. Nowadays, new toxicological data are required to assess the potential exposure of the environment and human beings to pollutants. The aim of the present investigation is to evaluate the toxicity of the metallic nano‐composite by the zebrafish embryo toxicity test (ZFET). The methods described here can be easily adapted to other nanocomposites or nanomaterials with some variations. © 2017 by John Wiley & Sons, Inc.
Inter‐and Intra‐Laboratory Standardization of TUNEL Assay for Assessment of Sperm DNA Fragmentation
Authors: Gupta Sajal , Sharma Rakesh , Agarwal Ashok 
Published: November 2017

AbstractThe functional aspects of sperm activity such as sperm chromatin integrity and ability to fertilize cannot be characterized by routine semen parameters. Men with unexplained infertility and idiopathic infertility, as well as men with normozoospermic semen profiles, show high DNA fragmentation. Molecular anomalies in the sperm can be detected by a sperm DNA fragmentation (SDF) assay which can be used in adjunct to conventional semen analysis. While the sperm chromatin structure assay (SCSA) remains the “gold standard,” the TUNEL assay using flow cytometry is becoming popular among the different tests that are currently available to measure sperm DNA fragmentation. In this unit, we describe the inter‐laboratory and intra‐laboratory standardization of the TUNEL assay using a benchtop cytometer. The article also provides a step‐by‐step protocol for measuring sperm DNA fragmentation using the TUNEL assay and a bench‐top flow cytometer, and also points out the inherent challenges with this test. © 2017 by John Wiley & Sons, Inc.
Genetic substructure and admixture as important factors in linkage disequilibrium‐based estimation of effective number of breeders in recovering wildlife populations
Authors: Kopatz Alexander , Eiken Hans Geir , Schregel Julia , Aspi Jouni , Kojola Ilpo , Hagen Snorre B. 
Published: November 2017

AbstractThe number of effective breeders (Nb) and effective population size (Ne) are population parameters reflective of evolutionary potential, susceptibility to stochasticity, and viability. We have estimated these parameters using the linkage disequilibrium‐based approach with LDNE through the latest phase of population recovery of the brown bears (Ursus arctos) in Finland (1993–2010; N = 621). This phase of the recovery was recently documented to be associated with major changes in genetic composition. In particular, differentiation between the northern and the southern genetic cluster declined rapidly within 1.5 generations. Based on this, we have studied effects of the changing genetic structure on Nb and Ne, by comparing estimates for whole Finland with the estimates for the two genetic clusters. We expected a potentially strong relationship between estimate sizes and genetic differentiation, which should disappear as the population recovers and clusters merge. Consistent with this, our estimates for whole Finland were lower than the sum of the estimates of the two genetic clusters and both approaches produced similar estimates in the end. Notably, we also found that admixed genotypes strongly increased the estimates. In all analyses, our estimates for Ne were larger than Nb and likely reflective for brown bears of the larger region of Finland and northwestern Russia. Conclusively, we find that neglecting genetic substructure may lead to a massive underestimation of Nb and Ne. Our results also suggest the need for further empirical analysis focusing on individuals with admixed genotypes and their potential high influence on Nb and Ne.
Marked reduction in demographic rates and reduced fitness advantage for early breeding is not linked to reduced thermal matching of breeding time
Authors: Arlt Debora , Pärt Tomas 
Published: November 2017

AbstractWarmer springs may cause animals to become mistimed if advances of spring timing, including available resources and of timing of breeding occur at different speed. We used thermal sums (cumulative sum of degree days) during spring to describe the thermal progression (timing) of spring and investigate its relationship to breeding phenology and demography of a long‐distant migrant bird, the northern wheatear (Oenanthe oenanthe L.). We first compare 20‐year trends in spring timing, breeding time, selection for breeding time, and annual demographic rates. We then explicitly test whether annual variation in selection for breeding time and demographic rates associates with the degree of phenological matching between breeding time and thermal progression of spring. Both thermal progression of spring and breeding time of wheatears advanced in time during the study period. But despite breeding on average 7 days earlier with respect to date, wheatears bred about 4 days later with respect to thermal spring progression. Over the same time period, selection for breeding time changed from distinct within‐season advantage of breeding early to no or very weak advantage. Furthermore, demographic rates (nest success, fledgling production, recruitment, adult survival) and nestling weight declined markedly by 16%–79%. Those temporal trends suggest that a reduced degree of phenological matching may affect within‐season fitness advantage of early breeding and population demographic rates. In contrast, when we investigate links based on annual variation, we find no significant relationship between either demographic rates or fitness advantage of early breeding with annual variation in the degree of phenological matching. Our results show that corresponding temporal trends in phenological matching, selection for breeding time and demographic rates are inconclusive evidence for demographic effects of changed phenological matching. Instead, we suggest that the trends in selection for breeding time and demographic rates are due to a general deterioration of the breeding environment.
Interventions to improve employee health and well‐being within health care organizations: A systematic review
Authors: Williams Stephen P. , Malik Humza T. , Nicolay Christopher R. , Chaturvedi Sankalp , Darzi Ara , Purkayastha Sanjay 
Published: November 2017

AbstractIn response to an increasing body of evidence on the importance of employee health and well‐being (HWB) within health care, there has been a shift in focus from both policymakers and individual organizations toward improving health care employee HWB. However, there is something of a paucity of evidence regarding the impact and value of specific HWB interventions within a health care setting. The aim of this article was to systematically review the literature on this topic utilizing the EMBASE, Global Health, Health Management Information Consortium, MEDLINE, and PsycINFO databases. Forty‐four articles were identified and, due to a large degree of heterogeneity, were considered under different headings as to the type of intervention employed: namely, those evaluating changing ways of working, physical health promotion, complementary and alternative medicine, and stress management interventions, and those utilizing multimodal interventions. Our results consider both the efficacy and reliability of each intervention in turn and reflect on the importance of careful study design and measure selection when evaluating the impact of HWB interventions.
Increasing flooding frequency alters soil microbial communities and functions under laboratory conditions
Authors: Randle‐Boggis Richard J. , Ashton Peter D. , Helgason Thorunn 
Published: November 2017

AbstractThe impacts of increased flooding frequency on soil microbial communities and potential functions, in line with predicted environmental changes, were investigated in a laboratory‐controlled environment. More frequent flooding events altered microbial community composition and significantly increased the resolved species alpha‐diversity (Shannon index). The Bacteria:Archaea ratio was greater at the end of the experiment than at the start, more‐so after only one flood. Significant changes in taxa and functional gene abundances were identified and quantified. These include genes related to the reduction and oxidation of substances associated with anoxia, for example, those involved in nitrogen and sulfur cycling. No significant changes were observed in the methanogenesis pathway, another function associated with anoxia and which contributes to the emission of greenhouse gases.
Reversible Broad‐Spectrum Control of Selective Reflections of Chiral Nematic Phases by Closed‐/Open‐Type Axially Chiral Azo Dopants
Authors: Nishikawa Hiroya , Mochizuki Daigou , Higuchi Hiroki , Okumura Yasushi , Kikuchi Hirotsugu 
Published: November 2017

AbstractInvited for this month's cover picture is the groups of Professor Hirotsugu Kikuchi and Dr. Yasushi Okumura at the Institute for Materials Chemistry and Engineering at Kyushu University (Japan). External dynamic control of molecular self‐organized superstructures with unique features has been researched, as these structures are applicable to chiral molecular devices. The cover picture shows photocontrol of selective reflection color that originated from the self‐organized helical structure of chiral nematic liquid crystals (N*LCs) using closed‐/open‐type dopants. The drastic structure changes of the dopants by light stimuli enable reversible broad‐spectrum control of selective reflections of N*LCs with opposite helical sign. Read the full text of the Full Paper at 10.1002/open.201700121.
Safety of discharge for children with cancer and febrile neutropenia off antibiotics using absolute neutrophil count threshold values as a surrogate marker for adequate bone marrow recovery
Authors: Campbell Matthew E. , Friedman Debra L. , Dulek Daniel E. , Zhao Zhiguo , Huang Yi , Esbenshade Adam J. 
Published: November 2017

AbstractBackgroundFebrile neutropenia (F&N) is common among pediatric oncology patients. However, there is a lack of clarity regarding parameters whereby such patients have demonstrated adequate bone marrow recovery for hospital discharge and empiric antibiotic discontinuation.ProcedureA retrospective review was performed for 350 episodes of F&N occurring at a single institution between 2007 and 2012 in pediatric oncology patients who were afebrile for 24 hr and had no bacterial source identified. Seven‐day postdischarge outcomes were assessed and compared based on absolute neutrophil count (ANC) at discharge in order to identify an optimal threshold.ResultsOverall, 7‐day readmission rates were low (17/350, 4.6%), with patients discharged with post‐nadir ANC of 100–199/μl (2/51, 3.9%), 200–499/μl (5/125, 4.0%), and ≥500/μl (8/160, 5.0%), all having similar rates. Patients with a discharge ANC < 100/μl (2/14, 14.3%) had a higher readmission rate. A new bloodstream infection was identified upon readmission in one patient in each discharge ANC range except for ANC of 100–199/μl, in which none occurred. In a subset of 217 episodes where the ANC fell below 200/μl during the admission and subsequently rose above 100/μl, 94 episodes resulted in 126 additional hospital days while subjects awaited further count recovery. One death occurred in a patient whose ANC at discharge was 290/μl. This patient had received additional chemotherapy after count recovery and prior to discharge, and was readmitted with Clostridium tertium bacteremia.ConclusionThese results suggest that a post‐nadir ANC > 100/μl is a safe threshold value for empiric antibiotic discontinuation and discharge home.
Infusion hemolysis after pediatric major ABO‐mismatched bone marrow transplant: Comparison of two red blood cell depletion techniques
Authors: Nickel Robert Sheppard , Qayed Muna , Worthington‐White Diana , Stowell Sean R. , Chiang Kuang‐Yueh 
Published: November 2017

AbstractBackgroundDuring major ABO‐mismatched bone marrow transplant (BMT), the infusion of incompatible red blood cells (RBCs) that are present in the bone marrow graft can cause adverse events from hemolysis. RBC depletion of the bone marrow graft can decrease this risk, but the optimal method to prevent hemolysis is unclear.ProcedureWe conducted a retrospective cohort study of patients who underwent major ABO‐mismatched BMT at a pediatric center and had RBC depletion with either hydroxyethyl starch (HES) sedimentation or Ficoll density gradient separation. Postinfusion hemoglobinuria and creatinine values were compared.ResultsBetween 2002 and 2016, 37 patients received HES‐treated and 16 patients received Ficoll‐treated major ABO‐mismatched bone marrow grafts. The median residual volume of RBCs was significantly greater with HES‐treated grafts (HES 21.0 ml vs. Ficoll 1.4 ml, P < 0.0001). Patients who received HES‐treated grafts had a higher prevalence of postinfusion hemoglobinuria (HES 57% vs. Ficoll 6%, P = 0.0009), but renal impairment was rare. Considering only HES‐treated grafts, the volume of RBCs was not associated with either postinfusion hemoglobinuria or a creatinine increase.ConclusionsFicoll density gradient separation achieves smaller RBC volumes and less postinfusion hemoglobinuria than HES sedimentation, but both can prevent significant hemolysis. Further studies are needed to determine the residual incompatible RBC volume threshold in major ABO‐mismatched BMT.
Charge transport and prototypical optical absorptions in functionalized zinc phthalocyanine compounds: A density functional study
Authors: Sahoo Smruti Ranjan , Sahu Sridhar , Sharma Sagar 
Published: November 2017

AbstractMetal phthalocyanines are considered to be prominent candidates for designing organic semiconductors. However, enhancing n‐type characteristics and air stability in these compounds have been the major challenges. Earlier studies on zinc phthalocyanines (ZnPc) reported enhancement in electron mobility due to fluorination. We present a theoretical study of the charge transfer and optical properties of functionalized zinc phthalocyanines (XZnPc, with X = F16, Cl16, Br16, I8, and (CN)8) within the framework of the density functional theory. Substitutions with electron‐withdrawing groups at the peripheral sites of ZnPc was found to lower both EHOMO and ELUMO in the compounds. Computed values of electron affinity (EA) > 3 eV in all XZnPcs indicated effective electron injection inferring enhanced n‐type characteristics and air stability in these compounds. However, cyanation ((CN)8), as compared to the other EWGs, is found to enhance the electron mobility more prominently in the compound. In addition, studied optical absorption spectra of all XZnPc compounds at different exchange‐correlation functionals such as B3LYP, PBE0, CAM‐B3LYP, wB97xD, M06, and M06‐2X exhibited Q‐band in visible region (∼600‐700 nm) and B‐band (Soret) in ultraviolet (∼300‐400 nm) region, and a few shows an N‐band below 300 nm. Upon functionalization, the B‐band and Q‐band maxima show bathochromic shift both in gas phase and dimethyl sulfoxide. All these optical absorptions were found to be prototypical in nature, and the spectra are assigned to
character.
Taking a Closer Look at Your Informational Writing Instruction
Authors: Beschorner Beth , Hall Anna H. 
Published: November 2017

AbstractWhen students write informational text, they have the opportunity to engage with meaningful topics, become curious about the world, learn domain‐specific knowledge, and use academic vocabulary. Given the possibilities for learning through writing informational text, it is important for teachers to reflect on and improve their informational writing instruction. This Teaching Tip describes approaches to creating a classroom environment that supports informational writing, including the use of digital tools for writing.
Syndrome mit breitem Tumorspektrum
Authors: Steinke-Lange Verena , Becker Kerstin , Behnecke Anne , Neuhann Teresa , Holinski-Feder Elke 
Published: November 2017

Zusammenfassung
Die klinische Diagnose erblicher Tumorsyndrome ist ein wesentlicher Bestandteil der humangenetischen Beratung. Bei seltenen Syndromen, die mit einem breiten Spektrum an Tumoren und phänotypischen Überschneidungen einhergehen, ist dies nicht immer einfach. In diesem Artikel sollen deshalb die typischen und wegweisenden Merkmale der wichtigsten seltenen Tumordispositionssyndrome mit breitem Tumorspektrum herausgearbeitet werden. Hierzu gehören der Carney-Komplex, das Cowden-Syndrom, die juvenile Polyposis, das Li-Fraumeni-Syndrom und das Peutz-Jeghers-Syndrom. Darüber hinaus sind auch die derzeit empfohlenen Früherkennungsuntersuchungen dargestellt, die meist eine interdisziplinäre Betreuung der Patienten erforderlich machen.