bluuebunny/crossref_metadata_2025 huggingface dataset:
PEPCOL: a GERCOR randomized phase II study of nanoliposomal irinotecan PEP02 (MM‐398) or irinotecan with leucovorin/5‐fluorouracil as second‐line therapy in metastatic colorectal cancer
Authors: Chibaudel Benoist , Maindrault‐Gœbel Frédérique , Bachet Jean‐Baptiste , Louvet Christophe , Khalil Ahmed , Dupuis Olivier , Hammel Pascal , Garcia Marie‐Line , Bennamoun Mostefa , Brusquant David , Tournigand Christophe , André Thierry , Arbaud Claire , Larsen Annette K , Wang Yi‐Wen , Yeh C. Grace , Bonnetain Franck , de Gramont Aimery
Published: January 2016

A multicenter, open‐label, noncomparative, randomized phase II study (PEPCOL) was conducted to evaluate the efficacy and safety of the irinotecan or PEP02 (MM‐398, nanoliposomal irinotecan) with leucovorin (LV)/5‐fluorouracil (5‐FU) combination as second‐line treatment in patients with metastatic colorectal cancer (mCRC). Patients with unresectable mCRC who had failed one prior oxaliplatin‐based first‐line therapy were randomized toirinotecan with LV/5‐FU (FOLFIRI) or PEP02 with LV/5‐FU (FUPEP; PEP02 80 mg/m2 with LV 400 mg/m2 on day 1 and 5‐FU 2400 mg/m2 on days 1–2). Bevacizumab (5 mg/kg, biweekly) was allowed in both arms. The primary endpoint was 2‐month response rate (RR). Fifty‐five patients were randomized (FOLFIRI, n = 27; FUPEP, n = 28). In the intent‐to‐treat population (n = 55), 2‐month RR response rate was observed in two (7.4%) and three (10.7%) patients in the FOLFIRI and FUPEP arms, respectively. The most common grade 3–4 adverse events reported in the respective FOLFIRI and FUPEP arms were diarrhea (33% vs. 21%), neutropenia (30% vs. 11%), mucositis (11% vs. 11%), and grade 2 alopecia (26% vs. 25%). FUPEP has activity and acceptable safety profile in oxaliplatin‐pretreated mCRC patients.
Feedstock Characterization and Suitability Assessment for Dry Anaerobic Batch Digestion
Authors: Wedwitschka Harald , Jenson Earl , Liebetrau Jan
Published: January 2016

Substrate characterization experiments were carried out on different feedstocks and structure materials considered appropriate for use in dry anaerobic batch digestion systems. Physical material characteristics tested were bulk and saturated bulk density, compressed density, permeability, compactibility, water holding capacity, maximum water content, and volatile solid content. Oedometer tests were conducted on prepared feedstock/structure material mixtures targeting a high permeability under compression. Porous materials such as straw and woodchips were tested to determine if they enhance material mixture properties to yield superior permeability and allow percolation.
Back‐Illuminated Si‐Based Photoanode with Nickel Cobalt Oxide Catalytic Protection Layer
Authors: Bae Dowon , Mei Bastian , Frydendal Rasmus , Pedersen Thomas , Seger Brian , Hansen Ole , Vesborg Peter C. K. , Chorkendorff Ib
Published: January 2016

Si is an excellent photo‐absorber for use in dual‐band‐gap photoelectrochemical water splitting. We investigate photoanodes with n+pp+‐Si configuration under back‐side illumination, which is suited to work in a tandem device stack. A co‐sputtered NiCoOx film coupled to the Si was used as a protective catalyst for the water oxidation reaction in 1 m KOH. The sample showed a high photocurrent (21 mA cm−2) under red‐light illumination (38.6 mW cm−2). Long‐term stability testing showed a gradual decrease of activity in the beginning, and then the activity increased, yielding a cathodic shift of the onset voltage (>50 mV), likely owing to the divergent response of Ni and Co to the Fe present in KOH. Once the activity of the sample stabilized, no further degradation was observed for the following 6 days, indicating that the demonstrated back‐illuminated photoanode configuration can be considered a promising architecture for use as a bottom cell of the tandem water‐splitting device under alkaline conditions.
Interfacing Electronic and Ionic Charge Transport in Bioelectronics
Authors: Martin David C. , Malliaras George G.
Published: January 2016

There is considerable interest in the design and development of conjugated polymers for interfacing a variety of electronic biomedical devices. These materials are able to accommodate both electronic and ionic transport. We discuss some of the issues associated with these materials, and consider opportunities for future developments.
Emergence of the First Catalytic Oligonucleotides in a Formamide‐Based Origin Scenario
Authors: Šponer Judit E. , Šponer Jiří , Nováková Olga , Brabec Viktor , Šedo Ondrej , Zdráhal Zbyněk , Costanzo Giovanna , Pino Samanta , Saladino Raffaele , Di Mauro Ernesto
Published: January 2016

50 years after the historical Miller–Urey experiment, the formamide‐based scenario is perhaps the most powerful concurrent hypothesis for the origin of life on our planet besides the traditional HCN‐based concept. The information accumulated during the last 15 years in this topic is astonishingly growing and nowadays the formamide‐based model represents one of the most complete and coherent pathways leading from simple prebiotic precursors up to the first catalytically active RNA molecules. In this work, we overview the major events of this long pathway that have emerged from recent experimental and theoretical studies, mainly concentrating on the mechanistic, methodological, and structural aspects of this research.
Tuning the Electronic Coupling and Electron Transfer in Mo2 Donor–Acceptor Systems by Variation of the Bridge Conformation
Authors: Kang Mei Ting , Meng Miao , Tan Ying Ning , Cheng Tao , Liu Chun Y.
Published: January 2016

Assembling two quadruply bonded dimolybdenum units [Mo2(DAniF)3]+ (DAniF=N,N′‐di(p‐anisyl)formamidinate) with 1,4‐naphthalenedicarboxylate and its thiolated derivatives produced three complexes [{Mo2(DAniF)3}2(μ‐1,4‐O2CC10H6CO2)], [{Mo2(DAniF)3}2(μ‐1,4‐OSCC10H6COS)], and [{Mo2(DAniF)3}2(μ‐1,4‐S2CC10H6CS2)]. In the X‐ray structures, the naphthalene bridge deviates from the plane defined by the two Mo−Mo bond vectors with the torsion angle increasing as the chelating atoms of the bridging ligand vary from O to S. The mixed‐valent species exhibit intervalence transition absorption bands with high energy and very low intensity. In comparison with the data for the phenylene analogues, the optically determined electronic coupling matrix elements (Hab=258–345 cm−1) are lowered by a factor of two or more, and the electron‐transfer rate constants (ket≈1011 s−1) are reduced by about one order of magnitude. These results show that, when the electron‐transporting ability of the bridge and electron‐donating (electron‐accepting) ability of the donor (acceptor) are both variable, the former plays a dominant role in controlling the intramolecular electron transfer. DFT calculations revealed that increasing the torsion angle enlarges the HOMO–LUMO energy gap by elevating the (bridging) ligand‐based LUMO energy. Therefore, our experimental results and theoretical analyses verify the superexchange mechanism for electronic coupling and electron transfer.
Templated Formation of Discrete RNA and DNA:RNA Hybrid G‐Quadruplexes and Their Interactions with Targeting Ligands
Authors: Bonnat Laureen , Dejeu Jérôme , Bonnet Hugues , Génnaro Béatrice , Jarjayes Olivier , Thomas Fabrice , Lavergne Thomas , Defrancq Eric
Published: January 2016

G‐rich RNA and DNA oligonucleotides derived from the human telomeric sequence were assembled onto addressable cyclopeptide platforms through oxime ligations and copper‐catalyzed azide‐alkyne cycloaddition (CuAAc) reactions. The resulting conjugates were able to fold into highly stable RNA and DNA:RNA hybrid G‐quadruplex (G4) architectures as demonstrated by UV, circular dichroism (CD), and NMR spectroscopic analysis. Whereas rationally designed parallel RNA and DNA:RNA hybrid G4 topologies could be obtained, we could not force the formation of an antiparallel RNA G4 structure, thus supporting the idea that this topology is strongly disfavored. The binding affinities of four representative G4 ligands toward the discrete RNA and DNA:RNA hybrid G4 topologies were compared to the one obtained with the corresponding DNA G4 structure. Surface plasmon resonance (SPR) binding analysis suggests that the accessibility to G4 recognition elements is different among the three structures and supports the idea that G4 ligands might be shaped to achieve structure selectivity in a biological context.
Flow Synthesis in Hot Water: Synthesis of the Atypical Antipsychotic Iloperidone
Authors: Hartwig Jan , Kirschning Andreas
Published: January 2016

Inductively heated steel reactors continuously perform organic transformations in water under high temperature conditions, utilizing the unique physiochemical properties of water at subcritical conditions. We demonstrated the power of this set‐up in the continuous synthesis of the atypical antipsychotic drug iloperidone, in which we performed four out of five steps under aqueous conditions.
Mechanochemical Encapsulation of Fullerenes in Peptidic Containers Prepared by Dynamic Chiral Self‐Sorting and Self‐Assembly
Authors: Szymański Marek , Wierzbicki Michał , Gilski Mirosław , Jędrzejewska Hanna , Sztylko Marcin , Cmoch Piotr , Shkurenko Aleksander , Jaskólski Mariusz , Szumna Agnieszka
Published: January 2016

Molecular capsules composed of amino acid or peptide derivatives connected to resorcin[4]arene scaffolds through acylhydrazone linkers have been synthesized using dynamic covalent chemistry (DCC) and hydrogen‐bond‐based self‐assembly. The dynamic character of the linkers and the preference of the peptides towards self‐assembly into β‐barrel‐type motifs lead to the spontaneous amplification of formation of homochiral capsules from mixtures of different substrates. The capsules have cavities of around 800 Å3 and exhibit good kinetic stability. Although they retain their dynamic character, which allows processes such as chiral self‐sorting and chiral self‐assembly to operate with high fidelity, guest complexation is hindered in solution. However, the quantitative complexation of even very large guests, such as fullerene C60 or C70, is possible through the utilization of reversible covalent bonds or the application of mechanochemical methods. The NMR spectra show the influence of the chiral environment on the symmetry of the fullerene molecules, which results in the differentiation of diastereotopic carbon atoms for C70, and the X‐ray structures provide unique information on the modes of peptide–fullerene interactions.
Cobalt(III)‐Mediated Permanent and Stable Immobilization of Histidine‐Tagged Proteins on NTA‐Functionalized Surfaces
Authors: Wegner Seraphine V. , Schenk Franziska C. , Spatz Joachim P.
Published: January 2016

We present the cobalt(III)‐mediated interaction between polyhistidine (His)‐tagged proteins and nitrilotriacetic acid (NTA)‐modified surfaces as a general approach for a permanent, oriented, and specific protein immobilization. In this approach, we first form the well‐established Co2+‐mediated interaction between NTA and His‐tagged proteins and subsequently oxidize the Co2+ center in the complex to Co3+. Unlike conventionally used Ni2+‐ or Co2+‐mediated immobilization, the resulting Co3+‐mediated immobilization is resistant toward strong ligands, such as imidazole and ethylenediaminetetraacetic acid (EDTA), and washing off over time because of the high thermodynamic and kinetic stability of the Co3+ complex. This immobilization method is compatible with a wide variety of surface coatings, including silane self‐assembled monolayers (SAMs) on glass, thiol SAMs on gold surfaces, and supported lipid bilayers. Furthermore, once the cobalt center has been oxidized, it becomes inert toward reducing agents, specific and unspecific interactions, so that it can be used to orthogonally functionalize surfaces with multiple proteins. Overall, the large number of available His‐tagged proteins and materials with NTA groups make the Co3+‐mediated interaction an attractive and widely applicable platform for protein immobilization.
Biomass‐Derived Porous Carbon with Micropores and Small Mesopores for High‐Performance Lithium–Sulfur Batteries
Authors: Yang Kai , Gao Qiuming , Tan Yanli , Tian Weiqian , Qian Weiwei , Zhu Lihua , Yang Chunxiao
Published: January 2016

Biomass‐derived porous carbon BPC‐700, incorporating micropores and small mesopores, was prepared through pyrolysis of banana peel followed by activation with KOH. A high specific BET surface area (2741 m2 g−1), large specific pore volume (1.23 cm3 g−1), and well‐controlled pore size distribution (0.6–5.0 nm) were obtained and up to 65 wt % sulfur content could be loaded into the pores of the BPC‐700 sample. When the resultant C/S composite, BPC‐700‐S65, was used as the cathode of a Li–S battery, a large initial discharge capacity (ca. 1200 mAh g−1) was obtained, indicating a good sulfur utilization rate. An excellent discharge capacity (590 mAh g−1) was also achieved for BPC‐700‐S65 at the high current rate of 4 C (12.72 mA cm−2), showing its extremely high rate capability. A reversible capacity of about 570 mAh g−1 was achieved for BPC‐700‐S65 after 500 cycles at 1 C (3.18 mA cm−2), indicating an outstanding cycling stability.
A Simple and Non‐Destructive Method for Assessing the Incorporation of Bipyridine Dicarboxylates as Linkers within Metal–Organic Frameworks
Authors: Hendon Christopher H. , Bonnefoy Jonathan , Quadrelli Elsje Alessandra , Canivet Jerome , Chambers Matthew B. , Rousse Gwenaelle , Walsh Aron , Fontecave Marc , Mellot‐Draznieks Caroline
Published: January 2016

As a novel avenue for applications, metal–organic frameworks (MOFs) are increasingly used for heterogenizing catalytic molecular species as linkers into their crystalline framework. These multifunctional compounds can be accessed with mixed linkers synthesis or postsynthetic‐exchange strategies. Major limitations still reside in their challenging characterization; in particular, to provide evidence of the genuine incorporation of the functionalized linkers into the framework and their quantification. Herein, we demonstrate that a combination of computational chemistry, spectroscopy and X‐ray diffraction allows access to a non‐destructive analysis of mixed‐linker UiO‐67‐type materials featuring biphenyl‐ and bipyridine‐dicarboxylates. Our UV/Vis‐based methodology has been further applied to characterize a series of Rh‐functionalized UiO‐67‐type catalysts. The proposed approach allows a recurrent key issue in the characterization of similar supported organometallic systems to be solved.
Fluorescence imaging to localize head and neck squamous cell carcinoma for enhanced pathological assessment
Authors: Warram Jason M , de Boer Esther , van Dam Gooitzen M , Moore Lindsay S , Bevans Stephanie L , Walsh Erika M , Young Erik S , Carroll William R , Stevens Todd M , Rosenthal Eben L
Published: January 2016

Accurately identifying close or positive margins in real‐time permits re‐excision during surgical procedures. Intraoperative assessment of margins via gross examination and frozen section is a widely used tool to assist the surgeon in achieving complete resection. While this methodology permits diagnosis of freshly resected tissue, the process is fraught with misinterpretation and sampling errors. During fluorescence‐guided surgery, an exogenous fluorescent agent specific for the target disease is imaged in order to navigate the surgical excision. As this technique quickly advances into the clinic, we hypothesize that the disease‐specific fluorescence inherently contained within the resected tissues can be used to guide histopathological assessment. To evaluate the feasibility of fluorescence‐guided pathology, we evaluated head and neck squamous cell carcinoma tumour specimens and margins resected from animals and patients after systemic injection of cetuximab‐IRDye800CW. In a preclinical model of luciferase‐positive tumour resection using bioluminescence as the gold standard, fluorescence assessment determined by closed‐field fluorescence imaging of fresh resected margins accurately predicted the presence of disease in 33/39 positive margins yielding an overall sensitivity of 85%, specificity of 95%, positive predictive value (PPV) of 94%, and a negative predictive value (NPV) of 87%, which was superior to both surgical assessment (54%, 61%, 57%, and 58%) and pathological assessment (49%, 95%, 91%, and 66%), respectively. When the power of the technique was evaluated using human‐derived tumour tissues, as little as 0.5mg (1mm3) of tumour tissue was identified (tumour‐to‐background‐ratio:5.2). When the sensitivity/specificity of fluorescence‐guided pathology was determined using traditional histological assessment as the gold standard in human tissues obtained during fluorescence‐guided surgery, the technique was highly accurate with a sensitivity of 91%, specificity of 85%, PPV of 81%, and NPV of 93% for 90 human‐derived samples. This approach can be used as a companion to the pathologist, eliminating confounding factors while impacting surgical intervention and patient management.
Synthesis and Biological Assessment of Racemic Benzochromenopyrimidinimines as Antioxidant, Cholinesterase, and Aβ1−42 Aggregation Inhibitors for Alzheimer's Disease Therapy
Authors: Dgachi Youssef , Ismaili Lhassane , Knez Damijan , Benchekroun Mohamed , Martin Hélène , Szałaj Natalia , Wehle Sarah , Bautista‐Aguilera Oscar M. , Luzet Vincent , Bonnet Alexandre , Malawska Barbara , Gobec Stanislav , Chioua Mourad , Decker Michael , Chabchoub Fakher , Marco‐Contelles José
Published: January 2016

Given the complex nature of Alzheimer′s disease (AD), compounds that are able to simultaneously address two or more AD‐associated targets show greater promise for development into drugs for AD therapy. Herein we report an efficient two‐step synthesis and biological evaluation of new racemic benzochromene derivatives as antioxidants, inhibitors of cholinesterase and β‐amyloid (Aβ1−42) aggregation. Based on the results of the primary screening, we identified 15‐(3‐methoxyphenyl)‐9,11,12,15‐tetrahydro‐10H,14H‐benzo[5,6]chromeno[2,3‐d]pyrido[1,2‐a]pyrimidin‐14‐imine (3 e) and 16‐(3‐methoxyphenyl)‐9,10,11,12,13,16‐hexahydro‐15H‐benzo[5′,6′]chromeno[2′,3′:4,5]pyrimido[1,2‐a]azepin‐15‐imine (3 f) as new potential multitarget‐directed ligands for AD therapy. Further in‐depth biological analysis showed that compound 3 f is a good human acetylcholinesterase inhibitor [IC50=(0.36±0.02) μm], has strong antioxidant activity (3.61 μmol Trolox equivalents), and moderate Aβ1−42 antiaggregating power (40.3 %).
Structure‐Guided Discovery of Antitubercular Agents That Target the Gyrase ATPase Domain
Authors: Jeankumar Variam U. , Saxena Shalini , Vats Rahul , Reshma Rudraraju Srilakshmi , Janupally Renuka , Kulkarni Pushkar , Yogeeswari Perumal , Sriram Dharmarajan
Published: January 2016

In this study we explored the pharmaceutically underexploited ATPase domain of DNA gyrase (GyrB) as a potential platform for developing novel agents that target Mycobacterium tuberculosis. In this effort a combination of ligand‐ and structure‐based pharmacophore modeling was used to identify structurally diverse small‐molecule inhibitors of the mycobacterial GyrB domain based on the crystal structure of the enzyme with a pyrrolamide inhibitor (PDB ID: 4BAE). Pharmacophore modeling and subsequent in vitro screening resulted in an initial hit compound 5 [(E)‐5‐(5‐(2‐(1H‐benzo[d]imidazol‐2‐yl)‐2‐cyanovinyl)furan‐2‐yl)isophthalic acid; IC50=4.6±0.1 μm], which was subsequently tailored through a combination of molecular modeling and synthetic chemistry to yield the optimized lead compound 24 [(E)‐3‐(5‐(2‐cyano‐2‐(5‐methyl‐1H‐benzo[d]imidazol‐2‐yl)vinyl)thiophen‐2‐yl)benzoic acid; IC50=0.3±0.2 μm], which was found to display considerable in vitro efficacy against the purified GyrB enzyme and potency against the H37Rv strain of M. tuberculosis. Structural handles were also identified that will provide a suitable foundation for further optimization of these potent analogues.
Colorectal cancer outcomes and treatment patterns in patients too young for average‐risk screening
Authors: Abdelsattar Zaid M. , Wong Sandra L. , Regenbogen Scott E. , Jomaa Diana M. , Hardiman Karin M. , Hendren Samantha
Published: January 2016

BACKGROUND

Although colorectal cancer (CRC) screening guidelines recommend initiating screening at age 50 years, the percentage of cancer cases in younger patients is increasing. To the authors' knowledge, the national treatment patterns and outcomes of these patients are largely unknown.

METHODS

The current study was a population‐based, retrospective cohort study of the nationally representative Surveillance, Epidemiology, and End Results registry for patients diagnosed with CRC from 1998 through 2011. Patients were categorized as being younger or older than the recommended screening age. Differences with regard to stage of disease at diagnosis, patterns of therapy, and disease‐specific survival were compared between age groups using multinomial regression, multiple regression, Cox proportional hazards regression, and Weibull survival analysis.

RESULTS

Of 258,024 patients with CRC, 37,847 (15%) were aged <50 years. Young patients were more likely to present with regional (relative risk ratio, 1.3; P<.001) or distant (relative risk ratio, 1.5; P<.001) disease. Patients with CRC with distant metastasis in the younger age group were more likely to receive surgical therapy for their primary tumor (adjusted probability: 72% vs 63%; P<.001), and radiotherapy also was more likely in younger patients with CRC (adjusted probability: 53% vs 48%; P<.001). Patients younger than the recommended screening age had better overall disease‐specific survival (hazards ratio, 0.77; P<.001), despite a larger percentage of these individuals presenting with advanced disease.

CONCLUSIONS

Patients with CRC diagnosed at age <50 years are more likely to present with advanced‐stage disease. However, they receive more aggressive therapy and achieve longer disease‐specific survival, despite the greater percentage of patients with advanced‐stage disease. These findings suggest the need for improved risk assessment and screening decisions for younger adults. Cancer 2016;122:929–34. © 2016 American Cancer Society.
The Impact of Causal Explanations on Outcome in People Experiencing Psychosis: A Systematic Review
Authors: Carter Lucy , Read John , Pyle Melissa , Morrison Anthony P.
Published: January 2016

Findings suggest that the way an individual understands their experiences has important consequences on subsequent health behaviour. One aspect of an individual's understanding is what they believe has caused their experiences. This has been associated with treatment outcome and attitudes towards mental health problems. The aim of this systematic review was to examine the impact of causal beliefs on treatment outcome and stigma in people experiencing psychosis. Three main databases were searched and 21 articles that investigated various aspects of treatment outcome, and stigma in relation to causal beliefs was included in the review. Overall, there were a small number of replicated findings which limits the interpretation of results. There is an indication that causal explanations are associated with various treatment outcomes, including attitudes towards treatment and satisfaction with therapeutic relationships as well as internalized stigma. Spiritual beliefs appeared to be adopted as a coping mechanism and a way to reduce stigma but did not appear to be associated with treatment outcome. Individuals with psychosis do appear to develop causal beliefs that may be associated with engagement with services and treatment, as well as impacting on their attitudes towards themselves and others with mental illness. This may have important implications for clinical practice. Copyright © 2016 John Wiley & Sons, Ltd.

Key Practitioner Message

Individuals who have experience of psychosis develop their own subjective causal explanations, and these can be complex and contradictory.

An individual's causal explanation may influence how they engage with services and treatment, as well as providing a way of coming to terms with their difficulties.

Causal explanations may also contribute to the experience of stigma, which is often a significant barrier to recovery for this client group.
Effects of Soluble Lignin on the Formic Acid‐Catalyzed Formation of Furfural: A Case Study for the Upgrading of Hemicellulose
Authors: Dussan Karla , Girisuta Buana , Lopes Marystela , Leahy James J. , Hayes Michael H. B.
Published: January 2016

A comprehensive study is presented on the conversion of hemicellulose sugars in liquors obtained from the fractionation of Miscanthus, spruce bark, sawdust, and hemp by using formic acid. Experimental tests with varying temperature (130–170 °C), formic acid concentration (10–80 wt %), carbohydrate concentrations, and lignin separation were carried out, and experimental data were compared with predictions obtained by reaction kinetics developed in a previous study. The conversions of xylose and arabinose into furfural were inherently affected by the presence of polymeric soluble lignin, decreasing the maximum furfural yields observed experimentally by up to 24 %. These results were also confirmed in synthetic mixtures of pentoses with Miscanthus and commercial alkali lignin. This observation was attributed to side reactions involving intermediate stable sugar species reacting with solubilized lignin during the conversion of xylose into furfural.
Intra‐individual stability and developmental change in hair cortisol among postpartum mothers and infants: Implications for understanding chronic stress
Authors: Liu Cindy H. , Snidman Nancy , Leonard Alexandra , Meyer Jerrold , Tronick Ed
Published: January 2016

The study goal was to determine the intra‐individual stability, developmental change, and maternal‐reported correlates (socio‐demographic, stress experiences, hair characteristics, and care) of hair cortisol in mothers and their infants. To assess cortisol deposition in hair during the periods of 6‐to‐9 months and 9‐to‐12 months of age, 3 cm segments of hair samples deemed to represent approximately 3 months of retrospective hair cortisol were sampled longitudinally at 9‐ and 12‐months in 41 mothers and infants. Bivariate correlations and mean level comparisons of log‐transformed hair cortisol levels at 9‐ (T1) and 12‐months (T2) in mothers and infants were examined. Hair cortisol values were positively correlated from T1 to T2 for mothers (r = .41, p < .05) and infants (r = .39, p < .05). Hair cortisol values did not significantly differ from T1 to T2 in infants but decreased for mothers (F(1,34) = 9.2, p < .01). Maternal and infant hair cortisol was not associated with each other at either time point. Self‐reported measures of stress, and hair characteristics and care were not associated with hair cortisol. This is the first study to obtain hair cortisol from more than one time point within the first year after birth in mothers and infants. The intra‐individual stability of hair cortisol suggests that it may be a possible biomarker for detecting change in chronic stress experiences within the first year of life and in the postpartum period. © 2016 Wiley Periodicals, Inc. Dev Psychobiol 58: 509–518, 2016.
Intraspecific variation in seed dispersal of a Neotropical tree and its relationship to fruit and tree traits
Authors: Augspurger Carol K. , Franson Susan E. , Cushman Katherine C. , Muller‐Landau Helene C.
Published: January 2016

The distribution of wind‐dispersed seeds around a parent tree depends on diaspore and tree traits, as well as wind conditions and surrounding vegetation. This study of a neotropical canopy tree, Platypodium elegans, explored the extent to which parental variation in diaspore and tree traits explained (1) rate of diaspore descent in still air, (2) distributions of diaspores dispersed from a 40‐m tower in the forest, and (3) natural diaspore distributions around the parent tree. The geometric mean rate of descent in still air among 20 parents was highly correlated with geometric mean wing loading1/2 (r = 0.84). However, diaspore traits and rate of descent predicted less variation in dispersal distance from the tower, although descent rate−1 consistently correlated with dispersal distance. Measured seed shadows, particularly their distribution edges, differed significantly among six parents (DBH range 62–181 cm) and were best fit by six separate anisotropic dispersal kernels and surveyed fecundities. Measured rate of descent and tree traits, combined in a mechanistic seed dispersal model, did not significantly explain variation among parents in natural seed dispersal distances, perhaps due to the limited power to detect effects with only six trees. Seedling and sapling distributions were at a greater mean distance from the parents than seed distributions; saplings were heavily concentrated at far distances. Variation among parents in the distribution tails so critical for recruitment could not be explained by measured diaspore or tree traits with this sample size, and may be determined more by wind patterns and the timing of abscission in relation to wind conditions. Studies of wind dispersal need to devote greater field efforts at recording the “rare” dispersal events that contribute to far dispersal distances, following their consequences, and in understanding the mechanisms that generate them.
Female Salix viminalis are more severely infected by Melampsora spp. but neither sex experiences associational effects
Authors: Moritz Kim K. , Björkman Christer , Parachnowitsch Amy L. , Stenberg Johan A.
Published: January 2016

Associational effects of plant genotype or species on plant biotic interactions are common, not least for disease spread, but associational effects of plant sex on interactions have largely been ignored. Sex in dioecious plants can affect biotic interactions with herbivores and pollinators; however, its effects on plant–pathogen interactions are understudied and associational effects are unknown. In a replicated field experiment, we assessed Melampsora spp. leaf rust infection in monosexual and mixed sex plots of dioecious Salix viminalis L. to determine whether plant sex has either direct or associational effects on infection severity. We found no differences in Melampsora spp. infection severity among sexual monocultures and mixtures in our field experiment. However, female plants were overall more severely infected. In addition, we surveyed previous studies of infection in S. viminalis clones and reevaluated the studies after we assigned sex to the clones. We found that females were generally more severely infected, as in our field study. Similarly, in a survey of studies on sex‐biased infection in dioecious plants, we found more female‐biased infections in plant–pathogen pairs. We conclude that there was no evidence for associational plant sex effects of neighboring conspecifics for either females or males on infection severity. Instead, plant sex effects on infection act at an individual plant level. Our findings also suggest that female plants may in general be more severely affected by fungal pathogens than males.
Context‐dependent outcomes in a reproductive mutualism between two freshwater fish species
Authors: Peoples Brandon K. , Frimpong Emmanuel A.
Published: January 2016

The development of encompassing general models of ecology is precluded by underrepresentation of certain taxa and systems. Models predicting context‐dependent outcomes of biotic interactions have been tested using plants and bacteria, but their applicability to higher taxa is largely unknown.

We examined context dependency in a reproductive mutualism between two stream fish species: mound nest‐building bluehead chubNocomis leptocephalusand mountain redbelly daceChrosomus oreas, which often usesN. leptocephalusnests for spawning. We hypothesized that increased predator density and decreased substrate availability would increase the propensity ofC. oreasto associate withN. leptocephalusand decrease reproductive success of both species.

In a large‐scale in situ experiment, we manipulated egg predator density and presence of both symbionts (biotic context), and replicated the experiment in habitats containing high‐ and low‐quality spawning substrate (abiotic context).

Contradictory to our first hypothesis, we observed thatC. oreasdid not spawn without its host. The interaction outcome switched from commensalistic to mutualistic with changing abiotic and biotic contexts, although the net outcome was mutualistic.

The results of this study yielded novel insight into how context dependency operates in vertebrate mutualisms. Although the dilution effect provided byC. oreaspositively influenced reproductive success ofN. leptocephalus, it was not enough to overcome both egg predation and poor spawning habitat quality. Outcomes of the interaction may be ultimately determined by associate density. Studies of context dependency in vertebrate systems require detailed knowledge of species life‐history traits.
Chronic subcutaneous brain natriuretic peptide therapy in asymptomatic systolic heart failure
Authors: McKie Paul M. , Schirger John A. , Benike Sherry L. , Harstad Lynn K. , Slusser Joshua P. , Hodge David O. , Redfield Margaret M. , Burnett John C. , Chen Horng H.
Published: January 2016

Aims

We have previously reported that asymptomatic systolic heart failure (HF) is characterized by an impaired renal response to volume expansion due to lack of activation of urinary cGMP which is corrected by subcutaneous (SQ) BNP. In the current study, we sought to define the cardiorenal response to intravascular volume expansion after 12 weeks of SQ BNP therapy.

Methods and results

We utilized a double‐blinded, placebo‐controlled study to compare 12 weeks of twice‐daily SQ BNP 10 µg/kg (n = 22) or placebo (n = 12) in asymptomatic systolic HF. Subjects underwent two study visits: baseline and after 12 weeks of therapy. At each study visit, echocardiography, renal, and neurohumoral assessments were performed before and after intravascular volume expansion. The primary endpoint was change in urinary sodium excretion in response to volume expansion at 12 weeks, and we observed a greater increase in urinary sodium excretion [166 (77, 290) vs. 15 (−39, 72) mEq/min; P = 0.02] with SQ BNP treatment vs. placebo. Secondary endpoints included change in urine flow and glomerular filtration rate (GFR) in response to volume expansion at 12 weeks. We observed a significant increase in urine flow (P < 0.01) and trend for differential response in GFR (P = 0.08) with SQ BNP treatment vs. placebo.

Conclusion

Among patients with asymptomatic systolic HF, twice‐daily SQ BNP therapy improved the cardiorenal response to volume expansion at 12‐week follow‐up. Further studies are warranted to determine if these beneficial physiological observations with chronic natriuretic peptide administration translate into a delay in the progression to symptomatic HF.
Molecular and Electronic Structure of the Cluster [Au8(PPh3)8](NO3)2
Authors: Gutrath Benjamin S. , Schiefer Frank , Homberger Melanie , Englert Ulli , Şerb Mihaela‐D. , Bettray Wolfgang , Beljakov Igor , Meded Velimir , Wenzel Wolfgang , Simon Ulrich
Published: January 2016

We present a detailed structural discussion of [Au8(PPh3)8](NO3)2, crystallized as a CH2Cl2 solvate. Its structure is compared with closely related triphenylphosphine‐stabilized gold clusters. Characterization by optical extinction spectroscopy, luminescence spectroscopy, voltammetry and DFT calculations was performed to determine the electronic HOMO–LUMO gap. Comparison of its characteristic energies with those of structurally related clusters revealed that the evolution of the HOMO–LUMO gap does not follow a simple scaling law but depends on specific structural features.
Solvate Ionic Liquids as Reaction Media for Electrocyclic Transformations
Authors: Eyckens Daniel J. , Champion Megan E. , Fox Bronwyn L. , Yoganantharajah Prusothman , Gibert Yann , Welton Tom , Henderson Luke C.
Published: January 2016

Solvate ionic liquids (SILs) consisting of lithium bis(trifluoromethylsulfonyl)imide dissolved in tri‐ or tetraglyme have recently emerged as a novel class of ionic liquids. Herein, the first use of solvate ionic liquids as a replacement for molecular solvents in electrocyclization reactions is reported. The SILs promoted both Diels–Alder and [2+2] cycloaddition reactions, compared to an appropriate molecular solvent, and 5 M lithium perchlorate in diethyl ether. The Gutmann acceptor number (AN) of these solvate ionic liquids has also been determined by 31P NMR spectroscopy to be 26.5, thus being modest Lewis acids.
A proposal for an integrated model of prosocial behavior and collective action as the expression of global citizenship
Authors: Fattori Francesco , Pozzi Maura , Marzana Daniela , Mannarini Terri
Published: January 2016

The processes of globalization that have characterized recent decades have prompted social psychology to rethink some everyday life concerns and local problems at a global level. This article presents an explanatory model of collective action aimed at fighting poverty with a proposal to integrate the Encapsulated Model of Social Identity in Collective Action (EMSICA) with some antecedents from both the psychology of volunteerism and authority relationship literature. A self‐report questionnaire was administered to 783 Italian participants, and through structural equation modeling, we demonstrated that moral reasoning, engagement values, and prosocial disobedience function as antecedents of the EMSICA model and, thus, are elements in the global fight against poverty.
An analysis of five measures of global human identification
Authors: McFarland Sam , Hornsby William
Published: January 2016

In two studies, we examined the interrelationships and relative utility of several recent measures of global human identification. In Study 1, McFarland, Webb, and Brown's () Identification With All Humanity (IWAH) and Malsch and Omoto's () Psychological Sense of Global Community (PSGC) scales overlapped substantially, but each contributed in regression analyses to predicting humanitarian concerns. Each measure consists of multiple factors, and most factors contributed to predicting these concerns. For Study 2, a measure of World Citizenship was added, derived from similar measures by Reese, Proch, and Cohrs () and Reysen and Katzarska‐Miller (). Study 2 largely replicated the Study 1 results while extending them to an added humanitarian concern for global poverty. Overall, the Global Self‐Investment subscale of the IWAH most consistently predicted humanitarian concerns. The measure of World Citizenship correlated with all humanitarian concerns but did not contribute in predicting them beyond the IWAH and PSGC.
A Geoarchaeological Study of the Middle and Upper Pleistocene Levels at Canteen Kopje, Northern Cape Province, South Africa
Authors: Lotter Matt G. , Gibbon Ryan J. , Kuman Kathleen , Leader George M. , Forssman Tim , Granger Darryl E.
Published: January 2016

Canteen Kopje, situated in the Northern Cape Province of South Africa, has two main archaeological deposits: alluvial gravels and a mantle of overlying fine sediments known locally as the “Hutton Sands.” This paper focuses on the fine sediments, the three industries contained within them, and the interface with the underlying gravels in an attempt to clarify their formation and transformation. A Fauresmith assemblage is found at this interface; it is thus crucial to understand the processes of deposition and modification at this poorly understood boundary. The methods used in this study involved the analysis of artifact depositional (dip and orientation) and spatial data, artifact condition, raw materials, and assemblage size profiles. Data presented document the mixing between the lowest levels of the fine sediments and the underlying alluvial gravels. This study thus provides important contextual information for the Fauresmith industry at Canteen Kopje.
Outcomes in Economic Evaluations of Public Health Interventions in Low‐ and Middle‐Income Countries: Health, Capabilities and Subjective Wellbeing
Authors: Greco Giulia , Lorgelly Paula , Yamabhai Inthira
Published: January 2016

Public health programmes tend to be complex and may combine social strategies with aspects of empowerment, capacity building and knowledge across sectors. The nature of the programmes means that some effects are likely to occur outside the healthcare sector; this breadth impacts on the choice of health and non‐health outcomes to measure and value in an economic evaluation.

Employing conventional outcome measures in evaluations of public health has been questioned. There are concerns that such measures are too narrow, overlook important dimensions of programme effect and, thus, lead to such interventions being undervalued. This issue is of particular importance for low‐income and middle‐income countries, which face considerable budget constraints, yet deliver a large proportion of health activities within public health programmes.

The need to develop outcome measures, which include broader measures of quality of life, has given impetus to the development of a variety of new, holistic approaches, including Sen's capability framework and measures of subjective wellbeing. Despite their promise, these approaches have not yet been widely applied, perhaps because they present significant methodological challenges. This paper outlines the methodological challenges for the identification and measurement of broader outcomes of public health interventions in economic evaluation in low‐income and middle‐income countries.
Protective coatings for intraocular wirelessly controlled microrobots for implantation: Corrosion, cell culture, and in vivo animal tests
Authors: Pokki Juho , Ergeneman Olgaç , Chatzipirpiridis George , Lühmann Tessa , Sort Jordi , Pellicer Eva , Pot Simon A. , Spiess Bernhard M. , Pané Salvador , Nelson Bradley J.
Published: January 2016

Diseases in the ocular posterior segment are a leading cause of blindness. The surgical skills required to treat them are at the limits of human manipulation ability, and involve the risk of permanent retinal damage. Instrument tethering and design limit accessibility within the eye. Wireless microrobots suturelessly injected into the posterior segment, steered using magnetic manipulation are proposed for procedures involving implantation. Biocompatibility is a prerequisite for these procedures. This article investigates the use of polypyrrole‐ and gold‐coated cobalt‐nickel microrobots. While gold has been used in ocular implants, no ocular implantation involving polypyrrole is reported, despite its well‐established biocompatibility properties. Coated and uncoated microrobots were investigated for their corrosion properties, and solutions that had contained coated and uncoated microrobots for one week were tested for cytotoxicity by monitoring NIH3T3 cell viability. None of the microrobots showed significant corrosion currents and corrosion potentials were as expected in relation to the intrinsic nobility of the materials. NIH3T3 cell viability was not affected by the release medium, in which coated/uncoated microrobots were stored. In vivo tests inside rabbit eyes were performed using coated microrobots. There were no significant inflammatory responses during the first week after injection. An inflammatory response detected after 2 weeks was likely due to a lack of longer‐duration biocompatibility. The results provide valuable information for those who work on implant technology and biocompatibility. Coated microrobots have the potential to facilitate a new generation of surgical treatments, diagnostics and drug‐delivery techniques, when implantation in the ocular posterior segment will be possible. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 105B: 836–845, 2017.
Reduced‐cost sparsity‐exploiting algorithm for solving coupled‐cluster equations
Authors: Brabec Jiri , Yang Chao , Epifanovsky Evgeny , Krylov Anna I. , Ng Esmond
Published: January 2016

We present an algorithm for reducing the computational work involved in coupled‐cluster (CC) calculations by sparsifying the amplitude correction within a CC amplitude update procedure. We provide a theoretical justification for this approach, which is based on the convergence theory of inexact Newton iterations. We demonstrate by numerical examples that, in the simplest case of the CCD equations, we can sparsify the amplitude correction by setting, on average, roughly 90% nonzero elements to zeros without a major effect on the convergence of the inexact Newton iterations.
An improved preparation method for cross‐sectional TEM specimens of films deposited on metallic substrates
Authors: Ma Bingyang , Shi Kaicheng , Shang Hailong , Zhang Anming , Li Rongbin , Li Geyang
Published: January 2016

Cross‐sectional TEM analysis is one of the most important techniques to characterize microstructures of films. However, the complex process, low efficiency, and low success rate of specimen preparation limit its application. This paper analyzed the main causes of low success rate and proposed an improved method for specimen preparation of films deposited on metallic substrates. This method consisting of twin‐jet electropolishing and one‐sided rocking ion milling is high in efficiency and success rate. Microsc. Res. Tech. 79:276–279, 2016. © 2016 Wiley Periodicals, Inc.
Electron microscopic visualization of complementary labeled DNA with platinum‐containing guanine derivative
Authors: Loukanov Alexandre , Filipov Chavdar , Mladenova Polina , Toshev Svetlin , Emin Saim
Published: January 2016

The object of the present report is to provide a method for a visualization of DNA in TEM by complementary labeling of cytosine with guanine derivative, which contains platinum as contrast‐enhanced heavy element. The stretched single‐chain DNA was obtained by modifying double‐stranded DNA. The labeling method comprises the following steps: (i) stretching and adsorption of DNA on the support film of an electron microscope grid (the hydrophobic carbon film holding negative charged DNA); (ii) complementary labeling of the cytosine bases from the stretched single‐stranded DNA pieces on the support film with platinum containing guanine derivative to form base‐specific hydrogen bond; and (iii) producing a magnified image of the base‐specific labeled DNA. Stretched single‐stranded DNA on a support film is obtained by a rapid elongation of DNA pieces on the surface between air and aqueous buffer solution. The attached platinum‐containing guanine derivative serves as a high‐dense marker and it can be discriminated from the surrounding background of support carbon film and visualized by use of conventional TEM observation at 100 kV accelerated voltage. This method allows examination of specific nucleic macromolecules through atom‐by‐atom analysis and it is promising way toward future DNA‐sequencing or molecular diagnostics of nucleic acids by electron microscopic observation. Microsc. Res. Tech. 79:280–284, 2016. © 2016 Wiley Periodicals, Inc.
Microwave Assisted Green Multicomponent Synthesis of Novel bis(2‐Amino‐tetrahydro‐4H‐chromene‐3‐carbonitrile) Derivatives Using Chitosan as Eco‐friendly Basic Catalyst
Authors: Salama Soad K. , Darweesh Ahmed F. , Abdelhamid Ismail A. , Elwahy Ahmed H. M.
Published: January 2016

A simple, efficient, and eco‐friendly procedure has been developed for the synthesis of bis(4H‐chromene‐3‐carbonitrile) derivatives using chitosan as catalyst under microwave‐assisted reaction conditions. For the sake of comparison, the reaction was also carried out under conventional heating in the presence of each of chitosan and piperidine as basic catalysts.