bluuebunny/crossref_metadata_2025 huggingface dataset:
A mystery of a cup of coffee; an insight look by chemist
Authors: Karpinska Joanna , Świsłocka Renata , Lewandowski Włodzimierz
Published: June 2017

Fruits, vegetables as well as processed food products of plant origin are a rich source of beneficial for human health constituents. Among them the polyphenols constitute a large group of compounds. The presented literature survey is devoted to chlorogenic acid the most abundant representative of cinnamate acids esters. Its chemical as well as biological properties are described. © 2017 BioFactors, 43(5):621–632, 2017
Madagaskar‐Fauchschaben im Unterricht
Authors: Meier Monique , Horn Daniel
Published: June 2017

Der Einsatz von Tieren stellt eine besondere Herausforderung und Lehr‐Lernsituation im Unterricht dar. Er bedarf einen zuweilen hohen organisatorischen Aufwand und zudem können Tiere bei den Lernenden verschiedene Emotionen wie Freude, aber auch Ekel und Angst auslösen. Trotz ihrer möglicherweise abschreckenden Wirkung eignen sich Madagaskar‐Fauchschaben (Gromphadorhina portentosa) für das Erreichen einer Vielzahl von Unterrichtszielen, wie zum Beispiel dem Lehren und Lernen von Kompetenzen im Bereich der Erkenntnisgewinnung. Anhand skurriler Phänomene – wie dem Fauchen oder ihrer nachtaktiven Lebensweise – können Beobachtungen und Experimente angelegt und durchgeführt werden. Zudem besitzen die Tiere keine besonderen Ansprüche in der Pflege und Haltung, wodurch sie auch zu einem Dauergast im Klassenzimmer werden können.
Mauserzeit an der Küste: Vogelfedern im Spülsaum
Authors: Petrischak Hannes
Published: June 2017

Ein Sommerurlaub an Nord‐ und Ostsee bietet ideale Möglichkeiten, sich mit dem Gefieder von Meeresvögeln vertraut zu machen. Viele Arten sammeln sich jetzt in großer Zahl zum Mausern in Küstennähe, so dass zeitweise unglaubliche Mengen von Federn angespült werden. Einige sind sehr charakteristisch und lassen sich leicht bestimmen [1].
Clinical anatomy of the anterior chamber angle in congenital aniridia and consequences for trabeculotomy/cyclophotocoagulation
Authors: Viestenz Arne , Seitz Berthold , Deland Eva , Fiorentzis Miltiadis , Latta Lorenz , Viestenz Anja , Käsmann‐Kellner Barbara
Published: June 2017

Intraocular pressure lowering surgery in congenital aniridia glaucoma (CAG) can be complicated by dysgenesis of the limbal region, anterior chamber angle, iris, and lens. The anterior segments of 23 eyes (17 patients) with congenital aniridia were investigated under general anesthesia using ultrasound biomicroscopy (UBM). The structures of the anterior segment were examined: distance of ciliary body processes from the anterior chamber angle and positioning of Schlemm's canal. A surgical plan was created on the basis of these data. Schlemm's canal was detected in 21 of the 23 examined eyes. The mean distance from the anterior chamber angle was 1.3 ± 0.4 mm (range: 0.5–to 2.1 mm). The mean distance between the anterior chamber angle and the ciliary body was 561 ± 301 µm (range: 270–1,300 µm). The mean prominence of the ciliary body towards the lens was 799 ± 352 µm (range: 210–1,660 µm). This resulted in a precise UBM‐based trabeculotomy. In addition, the ciliary body was detected and coagulated ab externo with a diode laser probe (810 nm) using diaphanoscopy and UBM. An initial UBM examination of the anterior segment is essential in eyes with CAG scheduled for trabeculotomy or cyclophotocoagulation. Clin. Anat. 31:64–67, 2018. © 2017 Wiley Periodicals, Inc.
Renal impairment and use of nephrotoxic agents in patients with multiple myeloma in the clinical practice setting in the United States
Authors: Qian Yi , Bhowmik Debajyoti , Bond Christopher , Wang Steven , Colman Sam , Hernandez Rohini K. , Cheng Paul , Intorcia Michele
Published: June 2017

Renal impairment is a common complication of multiple myeloma and deterioration in renal function or renal failure may complicate clinical management. This retrospective study in patients with multiple myeloma using an electronic medical records database was designed to estimate the prevalence of renal impairment (single occurrence of estimated glomerular filtration rate [eGFR] <60 mL/min per 1.73 m2 on or after multiple myeloma diagnosis) and chronic kidney disease (at least two eGFR values <60 mL/min per 1.73 m2 after multiple myeloma diagnosis that had been measured at least 90 days apart), and to describe the use of nephrotoxic agents. Eligible patients had a first diagnosis of multiple myeloma (ICD‐9CM: 203.0x) between January 1, 2012 and March 31, 2015 with no prior diagnoses in the previous 6 months. Of 12,370 eligible patients, the prevalence of both renal impairment and chronic kidney disease during the follow‐up period was high (61% and 50%, respectively), and developed rapidly following the diagnosis of multiple myeloma (6‐month prevalence of 47% and 27%, respectively). Eighty percent of patients with renal impairment developed chronic kidney disease over the follow‐up period, demonstrating a continuing course of declining kidney function after multiple myeloma diagnosis. Approximately 40% of patients with renal impairment or chronic kidney disease received nephrotoxic agents, the majority of which were bisphosphonates. As renal dysfunction may impact the clinical management of multiple myeloma and is associated with poor prognosis, the preservation of renal function is critical, warranting non‐nephrotoxic alternatives where possible in managing this population.
UHPLC/HR‐ESI‐MS/MS Profiling of Phenolics from Tunisian Lycium arabicum Boiss. Antioxidant and Anti‐lipase Activities’ Evaluation
Authors: Affes Marwa , Fakhfakh Jawhar , Daoud Ines , Brieudes Vincent , Halabalaki Maria , El Feki Abdelfattah , Allouche Noureddine
Published: June 2017

This study was performed in the aim to evaluate nine different extracts from Tunisian Lycium arabicum for their total phenolic and total flavonoid contents, phytochemical analyses as well as their antioxidant and anti‐lipase activities. The in vitro antioxidant property was investigated using three complementary methods (DPPH, ferric reducing antioxidant power (FRAP), and β‐carotene‐linoleic acid bleaching assays) while anti‐lipase activity was evaluated using 4‐methylumbelliferyl oleate method. From all of the tested extracts the most potent found to be the polar MeOH extracts especially those of stems and leaves. In order to investigate the chemical composition of these extracts and possible correlation of their constituents with the observed activities, an UHPLC/HR‐ESI‐MS/MS analysis was performed. Several compounds belonging to different chemical classes were tentatively identified such as rutin and kampferol rutinoside, the major constituents of the leaves, and N‐caffeoyltyramine, lyciumide A, N‐dihydrocaffeoyltyramine as well as fatty acids: trihydroxyoctadecadienoic acid and hydroxyoctadecadienoic acid isomers were detected abundantly in the stems. These results showed that the MeOH extracts of stems and leaves of L. arabicum can be considered as a potential source of biological active compounds.
Striking a balance between quality and cost in PCI
Authors: Kimmelstiel Carey , Udelson James E.
Published: June 2017

Key Points

Procedural cost control will continue to be increasingly important to the bottom line of health care institutions.

Reducing cost in PCI need not compromise clinical outcomes.

Cost awareness can alter physician behavior, enabling monetary savings.
The invisible scaffold…with invisible benefits?
Authors: Krishnan Sandeep K. , Dean Larry S.
Published: June 2017

Key Points

Authors suggest the use of an investigator‐owned and directed, prospective, non‐randomized, single‐arm multicenter registry at 23 Italian hospitals to follow 500 STEMI patients who receive BVS.

Follow‐up of patients is out to 5 years to determine how a BVS which has been deployed according to the IFU performs in these ACS patients. There is no comparator arm.

Mandate that patients included in this registry follow a strict BVS implantation protocol which is felt to mitigate the not insignificant stent thrombosis rates noted with BVS to date.
Hollow CuS Microcube Electrocatalysts for CO2 Reduction Reaction
Authors: Shao Ping , Ci Suqin , Yi Luocai , Cai Pingwei , Huang Peng , Cao Changsheng , Wen Zhenhai
Published: June 2017

Electrocatalytic carbon dioxide reduction reaction (CO2RR) is a promising strategy to mitigate or to address the issues caused by increasing CO2 emissions, but the implementation of such a technique highly depends on the exploration of highly efficient electrocatalysts toward the CO2RR. Here, we report a reliable route for the synthesis of hollow CuS microcubes (h‐CuS MCs) through a galvanic replacement reaction of the Cu2O microcube (Cu2O MC) precursor. A variety of characteristic techniques, including X‐ray diffraction, X‐ray photoelectron spectroscopy, Raman spectroscopy, scanning electron microscopy, and transmission electron microscopy, were performed to study the morphology, crystalline structure, and surface properties. Systematic electrochemical studies demonstrate that the electrocatalytic activity for CO2RR is sensitive to crystalline structure, morphology, and size of Cu‐based materials. The h‐CuS MCs manifest the highest electrocatalytic activity upon electrocatalyzing CO2RR among the set of Cu‐based materials tested, as evidenced by a rather low overpotential and an enhanced faradaic efficiency for CO production.
Confining Nanopore Bipolar Electrochemical Processes to Give Pattern in Space and Time
Authors: Marken Frank
Published: June 2017

“Wireless” metal‐coated nanopore electrode processes have been developed by Long and co‐workers (R. Gao, Y. Lin, Y.‐L. Ying, X.‐Y. Liu, X. Shi, Y.‐X. Hu, Y.‐T. Long, Small, 2017 DOI: 10.1002/smll.201700234), confining bipolar electrochemical processes into a nanopore. The reported concept of this new methodology may lead to intriguing new analytical and micro‐structuring applications based on a temporal pattern in ionic current responses and based on a spatial pattern leading to micro‐ring nanoassembly.
Photocontrol over Molecular Shape: Synthesis and Photochemical Evaluation of Glycoazobenzene Macrocycles
Authors: Despras Guillaume , Hain Julia , Jaeschke Sven Ole
Published: June 2017

Reversible shape switching due to external stimuli is an attractive property for the control of molecular features. Hence, we aimed at macrocycles to investigate photoswitching of molecular shape. We prepared the first carbohydrate‐based macrocycles comprising a photoresponsive azobenzene hinge. These macrocycles were readily obtained by cyclization of isothiocyanate‐armed bis‐azobenzene glycosides with piperazine. The unprotected macrocycles exhibit favorable photochromic properties in water and DMSO. Notably, the efficient trans→cis isomerization results in a remarkable shape transformation of the molecule. Additionally, the structure is characterized by restricted conformational freedom of the backbone, resulting in a single main conformer in each geometrical state (trans or cis). Measurement of optical rotation values and circular dichroism spectra revealed a tremendous change in chirality upon photoisomerization, with a strong helical induction in the cis state. These findings highlight the applicability of the new macrocycles as chiroptical molecular switches.
Sulfur–Fluoride Exchange (SuFEx)‐Mediated Synthesis of Sterically Hindered and Electron‐Deficient Secondary and Tertiary Amides via Acyl Fluoride Intermediates
Authors: Smedley Christopher J. , Barrow Andrew S. , Spiteri Christian , Giel Marie‐Claire , Sharma Pallavi , Moses John E.
Published: June 2017

Amide bond formation is one of the most executed reactions in chemistry and biology. This is largely due to the ubiquity of the amide functional group in biological molecules, natural products and pharmaceutically important drugs. We report here the development of “SuFExAmide”: a new sulfur–fluoride exchange (SuFEx) click chemistry based protocol for the efficient amidation of carboxylic acids via acyl fluoride intermediates. We have developed benzene‐1,3‐disulfonyl fluoride as a cost effective, powerful and versatile coupling agent, which delivers challenging secondary and tertiary amides in excellent yields from sterically hindered and electron‐deficient amines. The straightforward method offers significant benefits over existing protocols in terms of substrate scope, efficiency and ease of operation and is demonstrated by the synthesis of 44 amides, including GNF6702, an antiprotozoal drug candidate. In the majority of cases, the amide products are obtained in high yield without the need for excess reagents or chromatographic purification.
Organometallic Group 11 (CuIII, AgIII, AuIII) Complexes of a trans‐Doubly N‐Confused Porphyrin: An “Expanded Imidazole” Structural Motif
Authors: Yan Jiaying , Yang Yufeng , Ishida Masatoshi , Mori Shigeki , Zhang Bao , Feng Yaqing , Furuta Hiroyuki
Published: June 2017

Complexation of group 11 metal cations with an α‐bis(phenylthio)‐substituted trans‐doubly N‐confused porphyrin (trans‐N2CPSPh: 4) afforded a series of square‐planar trivalent organometallic complexes (i.e., Cu‐H4, Ag‐H4, and Au‐H4). The X‐ray crystal structures of the complexes revealed highly planar core geometries along with the presence of peripheral amine and imine nitrogen sites of the pyrrolic moieties. NMR, UV/Vis absorption, and magnetic circular dichroism (MCD) spectroscopies suggested the 18 π‐electron aromaticity of the complexes. The aromaticity was also fully analyzed by various theoretical methodologies such as nucleus‐independent chemical shift (NICS) and anisotropic induced current density (ACID) calculations. The central metal affects the amphiprotic character of the complexes possessing both pyrrolic amino nitrogen and imino nitrogen atoms at the periphery, which was examined by the photometric titration with trifluoroacetic acid (TFA) and 1,8‐diazabicyclo[5.4.0]undec‐7‐ene (DBU), respectively. The inherent acidity of the complexes was followed in the order; Cu‐H4>Au‐H4>Ag‐H4 and that of basicity was Au‐H4>Ag‐H4>Cu‐H4. The complexes could be considered as an “expanded imidazole” structural motif.
Soluble Platinum Nanoparticles Ligated by Long‐Chain N‐Heterocyclic Carbenes as Catalysts
Authors: Martínez‐Prieto Luis M. , Rakers Lena , López‐Vinasco Angela M. , Cano Israel , Coppel Yannick , Philippot Karine , Glorius Frank , Chaudret Bruno , van Leeuwen Piet W. N. M.
Published: June 2017

Soluble platinum nanoparticles (Pt NPs) ligated by two different long‐chain N‐heterocyclic carbenes (LC‐IPr and LC‐IMe) were synthesized and fully characterized by TEM, high‐resolution TEM, wide‐angle X‐ray scattering (WAXS), X‐ray photoelectron spectroscopy (XPS), and solution NMR. The surface chemistry of these NPs (Pt@LC‐IPr and Pt@LC‐IMe) was investigated by FT‐IR and solid state NMR using CO as a probe molecule. A clear influence of the bulkiness of the N‐substituents on the size, surface state, and catalytic activity of these Pt NPs was observed. While Pt@LC‐IMe showed no activity in the hydroboration of phenylacetylene, Pt@LC‐IPr revealed good selectivity for the trans‐isomer, which may be supported by a homogeneous species. This is the first example of hydroboration of acetylenes catalyzed by non‐supported Pt NPs.
Heterogeneous organization and connectivity of the chicken auditory thalamus (Gallus gallus)
Authors: Wang Yuan , Zorio Diego A. R. , Karten Harvey J.
Published: June 2017

The auditory ascending system contains parallel pathways in vertebrate brains. In chickens (Gallus gallus), three pathways arise from nucleus laminaris (NL), nucleus angularis (NA), and regio intermedius (RI) in the brainstem, innervating three subdivisions of the nucleus mesencephalicus lateralis pars dorsalis (MLd) in the midbrain. The current study reveals the segregation of these pathways in their subsequent projections to the nucleus ovoidalis (Ov) in the thalamus. Based on cytoarchitecture and myelin distribution, we identified seven Ov subregions, including five neuronal clusters within the Ov proper, the nucleus semilunaris parovoidalis (SPO), and the circum‐ovoidalis (cOv). Immunocytochemistry further revealed that a ventromedial cluster of the Ov proper (Ovvm) contains unique cell types expressing α8 subunit nicotinic acetylcholine receptor, while SPO and cOv are characterized with expression of calcitonin‐gene‐related peptide and cholecystokinin. Tract tracing studies demonstrated that Ovvm is a major target of the NL‐recipient zone of MLd, while the RI‐recipient zone of MLd predominantly projects to a ventrolateral cluster of the Ov proper. Afferent inputs to the remaining regions of the Ov proper mostly arise from the NA‐recipient zone of MLd. SPO and cOv receive a projection from the surrounding areas of MLd, named the nucleus intercollicularis. Importantly, the Ov proper, SPO and cOv all project to the Field L2 in the forebrain, the avian auditory cortex. Taken together, these results demonstrate that the avian auditory thalamus is a structurally and functionally heterogeneous structure, implicating an important role in generating novel representations for specific acoustic features.
Controlling the correlation of cost matrices to assess scheduling algorithm performance on heterogeneous platforms
Authors: Canon L.‐C. , Héam P.‐C. , Philippe L.
Published: June 2017

Bias in the performance evaluation of scheduling heuristics has been shown to undermine the scope of existing studies. Improving the assessment step leads to stronger scientific claims when validating new optimization strategies. This article considers the problem of allocating independent tasks to unrelated machines such as to minimize the maximum completion time. Testing heuristics for this problem requires the generation of cost matrices that specify the execution time of each task on each machine. Numerous studies showed that the task and machine heterogeneities belong to the properties impacting heuristics performance the most. This study focuses on orthogonal properties, the average correlations between each pair of rows and each pair of columns, which measure the proximity with uniform instances. Cost matrices generated with 2 distinct novel generation methods show the effect of these correlations on the performance of several heuristics from the literature. In particular, EFT performance depends on whether the tasks are more correlated than the machines and HLPT performs the best when both correlations are close to one.
Metal Cations Induced αβ‐BChl a Heterogeneity in LH1 as Revealed by Temperature‐Dependent Fluorescence Splitting
Authors: Ma Fei , Yu Long‐Jiang , Llansola‐Portoles Manuel J. , Robert Bruno , Wang‐Otomo Zheng‐Yu , van Grondelle Rienk
Published: June 2017

Two spectral forms of the core light‐harvesting complex (LH1) of the purple bacterium Thermochromatium (Tch.) tepidum, the native Ca2+‐binding and the Ba2+‐substituted one, exhibit different fluorescence (FL) emission spectra at low temperature (T). While Ca‐LH1 exhibits one emission band, an unusual splitting of the fluorescence is observed for Ba‐LH1. These two sub‐bands display the same spectral‐width dependence according to T, but their intensity evolves differently with T. Based on the crystal structures, we propose that the FL splitting originates from a large αβ‐BChl a transition energy heterogeneity, ≈600 cm−1, which is much larger compared with other LH1 and LH2 complexes (80–200 cm−1). This large heterogeneity is induced by the inhomogeneous Coulomb (and possibly hydrogen‐bonding) interactions exerted by Ba2+. The energy levels of the two LH1s were compared using exciton calculations in combination with Redfield theory. To simulate the FL splitting, an electronic transition containing two resonant bands was considered. This work shows how metal cations incorporated into the polypeptide modulate the electronic properties of BChl a aggregates.
Compassionate Attention and Regulation of Eating Behaviour: A pilot study of a brief low‐intensity intervention for binge eating
Authors: Duarte Cristiana , Pinto‐Gouveia José , Stubbs R. James
Published: June 2017

A low‐intensity 4‐week intervention that included components of compassion, mindfulness, and acceptance was delivered to women diagnosed with binge eating disorder. Participants were randomly assigned to 1 of 2 conditions: intervention (n = 11) or waiting list control (n = 9). Participants in the intervention condition were invited to practise mindfulness, soothing rhythm breathing, and compassionate imagery practices with a focus on awareness and acceptance of emotional states and triggers to binge eating and engagement in helpful actions. Results revealed that, in the intervention group, there were significant reductions in eating psychopathology symptoms, binge eating symptoms, self‐criticism, and indicators of psychological distress; there were significant increases in compassionate actions and body image‐related psychological flexibility. Data suggest that developing compassion and acceptance competencies may improve eating behaviour and psychological well‐being in individuals with binge eating disorder.
Forbidden versus permitted interactions: Disentangling processes from patterns in ecological network analysis
Authors: Strona Giovanni , Veech Joseph A.
Published: June 2017

Several studies have identified the tendency for species to share interacting partners as a key property to the functioning and stability of ecological networks. However, assessing this pattern has proved challenging in several regards, such as finding proper metrics to assess node overlap (sharing), and using robust null modeling to disentangle significance from randomness. Here, we bring attention to an additional, largely neglected challenge in assessing species’ tendency to share interacting partners. In particular, we discuss and illustrate with two different case studies how identifying the set of “permitted” interactions for a given species (i.e. interactions that are not impeded, e.g. by lack of functional trait compatibility) is paramount to understand the ecological and co‐evolutionary processes at the basis of node overlap and segregation patterns.
Musculin inhibits human T‐helper 17 cell response to interleukin 2 by controlling STAT5B activity
Authors: Santarlasci Veronica , Mazzoni Alessio , Capone Manuela , Rossi Maria Caterina , Maggi Laura , Montaini Gianni , Rossettini Beatrice , Cimaz Rolando , Ramazzotti Matteo , Barra Giusi , De Palma Raffaele , Maggi Enrico , Liotta Francesco , Cosmi Lorenzo , Romagnani Sergio , Annunziato Francesco
Published: June 2017

We recently demonstrated that human T‐helper (Th) 17 cells, unlike Th1 cells, do not proliferate in response to T‐cell receptor stimulation, mainly because of their reduced capacity to produce and respond to IL‐2. In this study, we show that their lower responsiveness to IL‐2 is due to the selective expression of Musculin (MSC), a member of the basic helix‐loop‐helix transcription factors. We show that MSC expression in human Th17 cells is retinoic acid orphan receptor (ROR)γt‐dependent, and allows the upregulation of PPP2R2B, a regulatory member of the protein phosphatase 2A (PP2A) enzyme. High PPP2R2B levels in human Th17 cells were responsible for the reduced STAT5B Ser‐193 phosphorylation upon IL‐2 signalling and, therefore, impaired STAT5B DNA binding and transcriptional activity on IL‐2 target genes. PP2A, observed in Th17 cells, controls also STAT3, dephosphorylating Ser727, thus increasing its activity that plays a crucial role in Th17 development and/or maintenance. Thus, our findings identify an additional mechanism responsible for the limited expansion of human Th17 cells, and could provide a further explanation for the rarity of these cells in inflamed tissues.
Immobilized monolithic enzymatic reactor and its application for analysis of in‐vitro fertilization media samples
Authors: Chen Wei‐Qiang , Obermayr Philipp , Černigoj Urh , Vidič Jana , Panić‐Janković Tanta , Mitulović Goran
Published: June 2017

Classical proteomics approaches involve enzymatic hydrolysis of proteins (either separated by polyacrylamide gels or in solution) followed by peptide identification using LC‐MS/MS analysis. This method requires normally more than 16 h to complete. In the case of clinical analysis, it is of the utmost importance to provide fast and reproducible analysis with minimal manual sample handling. Herein we report the method development for online protein digestion on immobilized monolithic enzymatic reactors (IMER) to accelerate protein digestion, reduce manual sample handling, and provide reproducibility to the digestion process in clinical laboratory. An integrated online digestion and separation method using monolithic immobilized enzymatic reactor was developed and applied to digestion and separation of in‐vitro‐fertilization media.
Association between genetic variants in the promoter region of a novel antisense long noncoding RNA RP11‐392P7.6 and colorectal cancer risk
Authors: Jin Mingjuan , Gu Simeng , Ye Ding , Li Yingjun , Jing Fangyuan , Li Qilong , Chen Kun
Published: June 2017

There is a widespread occurrence of antisense transcripts' regulation on cancer‐related genes in cancer biology. RP11‐392P7.6 is antisense to the coding region of cancer‐related gene GPRC5D, which has been found recently. The aim of this study was to investigate the associations of tagSNPs in the promoter region of RP11‐392P7.6 with the risk of colorectal cancer. We conducted a two‐stage case–control study, with a discovery set (320 cases and 319 controls) and a validation set (501 cases and 538 controls). Four tagSNPs (rs1531970, rs1642199, rs4763903, and rs10845671) were selected based on 1000 Genomes Project data and genotyped by using the Sequenom MassARRAY genotyping platform. In the discovery set, three tagSNPs (rs1642199, rs4763903, and rs10845671) were revealed promising associations with the risk of colorectal cancer, among which the rs10845671 variants were further replicated in the validation set (OR = 1.47, 95% CI = 1.10–1.20 in heterozygote codominant model; OR = 1.38, 95% CI = 1.04–1.83 in dominant model). When combined the two sets, the above positive associations remained unchanged. Rs10845671 was found to be associated with an increased risk of colorectal cancer (OR = 1.43, 95% CI = 1.14–1.81 in heterozygote codominant model; OR = 1.35, 95% CI = 1.08–1.69 in dominant model). These findings indicate that rs10845671 may contribute to the susceptibility to colorectal cancer and be a candidate biomarker for colorectal cancer risk prediction. Environ. Mol. Mutagen. 58:434–442, 2017. © 2017 Wiley Periodicals, Inc.
Three‐dimensional numerical modeling of the Bulle effect: the nonlinear distribution of near‐bed sediment at fluvial diversions
Authors: Dutta Som , Wang Dongchen , Tassi Pablo , Garcia Marcelo H.
Published: June 2017

The Bulle effect is a phenomenon in which a disproportionately higher amount of near‐bed sediment load at a fluvial diversion moves into the diverted channel, even for cases in which the proportion of water (with respect to the main flow) entering the diversion channel is relatively small. This phenomenon has wide‐ranging implications for both engineered and natural systems: from efficient design of channels to redirect water and sediment for reclaiming sinking deltas, designing navigational channels that do not need frequent dredging, to morphological evolution of river bifurcations. The first ever, and one of the most extensive set of experiments conducted to explore this phenomenon, were conducted by Bulle in . In the current study the experiments conducted by Bulle have been simulated using an open‐source, free‐surface finite‐element‐based hydrodynamic solver. The main objectives were to explore to what extent the complex phenomenon of the Bulle effect at the scale of a laboratory experiment can be simulated accurately using Reynolds‐averaged Navier–Stokes (RANS)‐based hydrodynamic solver, and to understand the details of the hydrodynamics that Bulle could not analyze through his experiments. The hydrodynamics captured by the simulations were found to match the observations made by Bulle through his experiments, and the distributions of sediment at the diversion predicted by the numerical simulations were found to match the general trend observed in the laboratory experiments. The results from the numerical simulations were also compared with existing one‐dimensional models for sediment distribution at bifurcations, and the three‐dimensional numerical model was found to perform appreciably better. This is expected due to the complex flow features at the diversion, which can only be captured satisfactorily using a three‐dimensional hydrodynamic model. Copyright © 2017 John Wiley & Sons, Ltd.
Open-water and under-ice seasonal variations in trace element content and physicochemical associations in fluvial bed sediment
Authors: Doig Lorne E. , Carr Meghan K. , Meissner Anna G.N. , Jardine Tim D. , Jones Paul D. , Bharadwaj Lalita , Lindenschmidt Karl-Erich
Published: June 2017

Across the circumpolar world, intensive anthropogenic activities in the southern reaches of many large, northward-flowing rivers can cause sediment contamination in the downstream depositional environment. The influence of ice cover on concentrations of inorganic contaminants in bed sediment (i.e., sediment quality) is unknown in these rivers, where winter is the dominant season. A geomorphic response unit approach was used to select hydraulically diverse sampling sites across a northern test-case system, the Slave River and delta (Northwest Territories, Canada). Surface sediment samples (top 1 cm) were collected from 6 predefined geomorphic response units (12 sites) to assess the relationships between bed sediment physicochemistry (particle size distribution and total organic carbon content) and trace element content (mercury and 18 other trace elements) during open-water conditions. A subset of sites was resampled under-ice to assess the influence of season on these relationships and on total trace element content. Concentrations of the majority of trace elements were strongly correlated with percent fines and proxies for grain size (aluminum and iron), with similar trace element grain size/grain size proxy relationships between seasons. However, finer materials were deposited under ice with associated increases in sediment total organic carbon content and the concentrations of most trace elements investigated. The geomorphic response unit approach was effective at identifying diverse hydrological environments for sampling prior to field operations. Our data demonstrate the need for under-ice sampling to confirm year-round consistency in trace element–geochemical relationships in fluvial systems and to define the upper extremes of these relationships. Whether contaminated or not, under-ice bed sediment can represent a “worst-case” scenario in terms of trace element concentrations and exposure for sediment-associated organisms in northern fluvial systems. Environ Toxicol Chem 2017;36:2916–2924. © 2017 SETAC
No evidence for maintenance of a sympatricHeliconiusspecies barrier by chromosomal inversions
Authors: Davey John W. , Barker Sarah L. , Rastas Pasi M. , Pinharanda Ana , Martin Simon H. , Durbin Richard , McMillan W. Owen , Merrill Richard M. , Jiggins Chris D.
Published: June 2017

Mechanisms that suppress recombination are known to help maintain species barriers by preventing the breakup of coadapted gene combinations. The sympatric butterfly species Heliconius melpomene and Heliconius cydno are separated by many strong barriers, but the species still hybridize infrequently in the wild, and around 40% of the genome is influenced by introgression. We tested the hypothesis that genetic barriers between the species are maintained by inversions or other mechanisms that reduce between-species recombination rate. We constructed fine-scale recombination maps for Panamanian populations of both species and their hybrids to directly measure recombination rate within and between species, and generated long sequence reads to detect inversions. We find no evidence for a systematic reduction in recombination rates in F1 hybrids, and also no evidence for inversions longer than 50 kb that might be involved in generating or maintaining species barriers. This suggests that mechanisms leading to global or local reduction in recombination do not play a significant role in the maintenance of species barriers between H. melpomene and H. cydno.
Thermodynamic study of hydrocarbon synthesis from carbon dioxide and hydrogen
Authors: Yao Benzhen , Ma Wangjing , Gonzalez‐Cortes Sergio , Xiao Tiancun , Edwards Peter P.
Published: June 2017

The thermodynamics of jet fuel range alkane synthesis from carbon dioxide and hydrogen has been investigated. The hydrocarbon synthesis process is divided into three elementary steps, including light olefins formation (C2‐C6) from hydrogenation of CO2, α‐olefins (C7‐C16) synthesis from oligomerization of light olefins, and hydrogenation of α‐olefins (C8‐C16) to straight‐chain paraffin (C8‐C16). The enthalpy changes and Gibbs free energy changes of the relevant reactions were calculated, and the equilibrium products distribution was computed based on the Gibbs free energy minimization method. The calculation results show that lower temperature (below 673.15 K), higher pressure (3 MPa), higher molar ratio of H2 to CO2 (3:1‐4:1), and introducing a small amount of N2 in the reactants are favorable for the hydrogenation of CO2; lower temperature (below 500 K), higher pressure (2‐3 MPa), addition of N2 is favorable for the oligomerization of light olefins; and lower temperature (below 700 K), higher pressure (2‐3 MPa), and addition of N2 is favorable for the hydrogenation of α‐olefins. The overall positive effect of introducing N2 results from its heat dilution of the process. © 2017 Society of Chemical Industry and John Wiley & Sons, Ltd.
The relationship between moderate alcohol consumption, depressive symptomatology, and C‐reactive protein: the Health and Retirement Study
Authors: Paulson Daniel , Shah Mona , Herring Danielle , Scott Rosanna , Herrera Manuel , Brush David , Bassett Rachel
Published: June 2017

Objective

Moderate alcohol use has been broadly associated with health benefits among older adults, including improved mood. Aims of this study were to evaluate the relationship of moderate alcohol use and depressive symptomatology over a period of eight years, and to examine inflammation, indicated by C‐reactive protein (CRP), as one mechanism by which this relationship functions.

Methods

The study included 3177 community‐dwelling participants over the age of 65 in 2008 drawn from the Health and Retirement Study. Data from the 2006, 2008, 2012, and 2014 waves were used. Alcohol use was measured via self‐report and was dichotomized as abstinent (0 drinks per week) and moderate (1–14 drinks per week). Inflammation was measured using CRP, which was collected using an enzyme‐linked immunosorbent assay and provided in units of μg/mL. Control variables included gender, age, body mass index (BMI), and medical burden.

Results

A latent growth curve model with full information maximum likelihood was used, with results revealing that moderate drinkers endorsed fewer depressive symptoms at baseline and a steeper rate of change over time. Abstinent respondents' depressive symptomatology was characterized by a more linear change rate. Further, moderate drinkers had lower CRP levels suggesting that inflammation partially mediates the relationship between moderate alcohol use and depressive symptomatology.

Conclusions

Moderate alcohol use predicts fewer depressive symptoms among older adults. This relationship is partially moderated by CRP and is eroded by the passage of time. Future research should identify additional mechanisms relating alcohol to positive health outcomes and less depressive symptomatology. Copyright © 2017 John Wiley & Sons, Ltd.
Deciphering the epidemiology of hepatocellular carcinoma through the passage of time: A study of 1,401 patients across 3 decades
Authors: Goh George Boon‐Bee , Li James Weiquan , Chang Pik‐Eu , Chow Khuan‐Yew , Tan Chee‐Kiat
Published: June 2017

Hepatocellular carcinoma (HCC) is one of the most common and lethal cancers globally. With advances in therapy for chronic viral hepatitis, changing social circumstances, and increasing practice of HCC surveillance, the epidemiology of HCC is expected to change over time. We explored the temporal trends in HCC in Singapore, a multiethnic Asian country, over the last 3 decades. Patients with HCC were prospectively enrolled and stratified into two cohorts (C1, 1988‐2002; C2, 2003‐2016). Patient and tumor characteristics, management, and survival were compared between the two cohorts, and a survival census was performed on October 31, 2015. There were 1,401 patients, and the mean age at diagnosis of HCC for C1 and C2 was 60.1 and 63.5 years, respectively. Male patient preponderance decreased significantly, with the male to female ratio falling from 5.2:1 to 3.9:1 between C1 and C2. Hepatitis B, although still the predominant risk factor for HCC, showed a significant decline from C1 to C2 (76.5% to 68.2%), while the nonviral etiology increased significantly over the same period (14.4% versus 25.0%, respectively). Significantly more patients in C2 than C1 were diagnosed through surveillance (39.2% versus 11.3%, respectively) and had better physical performance (Eastern Cooperative Oncology Group 0, 62.1% versus 20.4%, respectively). While Child‐Pugh status was comparable, significantly more patients in C2 than C1 had early stage disease (Barcelona Clinic Liver Cancer 0‐A, 39.5% versus 7.4%, respectively), which translated into significantly higher median survival (18.6 months versus 3.8 months, respectively). Conclusion: Over the past 3 decades, hepatitis B‐related HCC has been decreasing while HCC due to nonviral etiology has been increasing significantly. Surveillance to diagnose early stage HCC is important in improving the outcome of HCC. (Hepatology Communications 2017;1:564–571)
An Intersubjective Perspective on the Role of Communal Sharing in Synergistic Co‐mentoring: Implications for Human Resource Development
Authors: Deptula Bryan J. , Williams Ethlyn Anne
Published: June 2017

The present qualitative research provides an in‐depth study of synergistic co‐mentoring (SCoM) to understand its features and implications for HRM. We examine dyadic synergistic qualities and processes, and dyadic co‐mentoring developmental qualities and processes that complement each other to make possible the emergence of SCoM. Using NVivo qualitative software, we analyzed interviews from a diversified sample of 26 matched mentoring dyads. Results demonstrate that communal sharing in the endeavor toward combinative outcomes complemented by co‐mentoring supports intra‐relational conditions for the emergence of SCoM.
Tumor associated CD70 expression is involved in promoting tumor migration and macrophage infiltration in GBM
Authors: Ge Haitao , Mu Luyan , Jin Linchun , Yang Changlin , Chang Yifan (Emily) , Long Yu , DeLeon Gabriel , Deleyrolle Loic , Mitchell Duane A. , Kubilis Paul S. , Lu Dunyue , Qi Jiping , Gu Yunhe , Lin Zhiguo , Huang Jianping
Published: June 2017

Tumor migration/metastasis and immunosuppression are major obstacles in effective cancer therapy. Incidentally, these 2 hurdles usually coexist inside tumors, therefore making therapy significantly more complicated, as both oncogenic mechanisms must be addressed for successful therapeutic intervention. Our recent report highlights that the tumor expression of a TNF family member, CD70, is correlated with poor survival for primary gliomas. In this study, we investigated how CD70 expression by GBM affects the characteristics of tumor cells and the tumor microenvironment. We found that the ablation of CD70 in primary GBM decreased CD44 and SOX2 gene expression, and inhibited tumor migration, growth and the ability to attract monocyte‐derived M2 macrophages in vitro. In the tumor microenvironment, CD70 was associated with immune cell infiltrates, such as T cells; myeloid‐derived suppressor cells; and monocytes/macrophages based on the RNA‐sequencing profile. The CD163+ macrophages were far more abundant than T cells were. This overwhelming level of macrophages was identified only in GBM and not in low‐grade gliomas and normal brain specimens, implying their tumor association. CD70 was detected only on tumor cells, not on macrophages, and was highly correlated with CD163 gene expression in primary GBM. Additionally, the co‐expression of the CD70 and CD163 genes was found to correlate with decreased survival for patients with primary GBM. Together, these data suggest that CD70 expression is involved in promoting tumor aggressiveness and immunosuppression via tumor‐associated macrophage recruitment/activation. Our current efforts to target this molecule using chimeric antigen receptor T cells hold great potential for treating patients with GBM.
PD‐L1 promotes OCT4 and Nanog expression in breast cancer stem cells by sustaining PI3K/AKT pathway activation
Authors: Almozyan Sheema , Colak Dilek , Mansour Fatmah , Alaiya Ayodele , Al‐Harazi Olfat , Qattan Amal , Al‐Mohanna Falah , Al‐Alwan Monther , Ghebeh Hazem
Published: June 2017

The expression of PD‐L1 in breast cancer is associated with estrogen receptor negativity, chemoresistance and epithelial‐to‐mesenchymal transition (EMT), all of which are common features of a highly tumorigenic subpopulation of cancer cells termed cancer stem cells (CSCs). Hitherto, the expression and intrinsic role of PD‐L1 in the dynamics of breast CSCs has not been investigated. To address this issue, we used transcriptomic datasets, proteomics and several in vitro and in vivo assays. Expression profiling of a large breast cancer dataset (530 patients) showed statistically significant correlation (p < 0.0001, r = 0.36) between PD‐L1 expression and stemness score of breast cancer. Specific knockdown of PD‐L1 using ShRNA revealed its critical role in the expression of the embryonic stem cell transcriptional factors: OCT‐4A, Nanog and the stemness factor, BMI1. Conversely, these factors could be induced upon PD‐L1 ectopic expression in cells that are normally PD‐L1 negative. Global proteomic analysis hinted for the central role of AKT in the biology of PD‐L1 expressing cells. Indeed, PD‐L1 positive effect on OCT‐4A and Nanog was dependent on AKT activation. Most importantly, downregulation of PD‐L1 compromised the self‐renewal capability of breast CSCs in vitro and in vivo as shown by tumorsphere formation assay and extreme limiting dilution assay, respectively. This study demonstrates a novel role for PD‐L1 in sustaining stemness of breast cancer cells and identifies the subpopulation and its associated molecular pathways that would be targeted upon anti‐PD‐L1 therapy.
Recent Advances in Bifunctional Paramagnetic Chelates for MRI
Authors: Giovenzana Giovanni B. , Lattuada Luciano , Negri Roberto
Published: June 2017

Magnetic resonance imaging (MRI) is a non‐invasive diagnostic modality routinely employed in modern clinical medicine to collect images of the internal organs of the human body. Contrast agents (CA) are usually administered to patients to improve the sensitivity of this technique and nowadays these agents are gadolinium complexes. Bifunctional chelating agents (BFCAs) are dual molecules containing a multidentate ligand, able to strongly coordinate a metal ion, and a reactive moiety for conjugation purposes. With BFCAs an easy labelling of biomolecules or vectors with paramagnetic ions is possible, allowing the in vivo MRI visualization of diseases at cellular or molecular level.
Simulation Based Investigation of Deleterious nsSNPs in ATXN2 Gene and Its Structural Consequence Toward Spinocerebellar Ataxia
Authors: Sinha Siddharth , Verma Sharad , Singh Aditi , Somvanshi Pallavi , Grover Abhinav
Published: June 2017

Spinocerebellar degeneration, termed as ataxia is a neurological disorder of central nervous system, characterized by limb in‐coordination and a progressive gait. The patient also demonstrates specific symptoms of muscle weakness, slurring of speech, and decreased vibration senses. Expansion of polyglutamine trinucleotide (CAG) within ATXN2 gene with 35 or more repeats, results in spinocerebellar ataxia type‐2. Protein ataxin‐2 coded by ATXN2 gene has been reported to have a crucial role in translation of the genetic information through sequestering the histone acetyl transferases (HAT) resulting in a state of hypo‐acetylation. In the present study, we have evaluated the outcome for 122 non synonymous single nucleotide polymorphisms (nsSNPs) reported within ATXN2 gene through computational tools such as SIFT, PolyPhen 2.0, PANTHER, I‐mutant 2.0, Phd‐SNP, Pmut, MutPred. The apo and mutant (L305V and Q339L) form of structures for the ataxin‐2 protein were modeled for gaining insights toward 3D spatial arrangement. Further, molecular dynamics simulations and structural analysis were performed to observe the brunt of disease associated nsSNPs toward the strength and secondary properties of ataxin‐2 protein structure. Our results showed that, L305V is a highly deleterious and disease causing point substitution. Analysis based on RMSD, RMSF, Rg, SASA, number of hydrogen bonds (NH bonds), covariance matrix trace, projection analysis for eigen vector demonstrated a significant instability and conformation along with rise in mutant flexibility values in comparison to the apo form of ataxin‐2 protein. The study provides a blue print of computational methodologies to examine the ataxin‐blend SNPs. J. Cell. Biochem. 119: 499–510, 2018. © 2017 Wiley Periodicals, Inc.
Population Pharmacokinetic and Exposure–Response Analysis of Weekly Teriparatide in Osteoporosis Patients
Authors: Ose Atsushi , Serada Masashi , Yamashita Keiko , Tsurui Kazuyuki , Tanigawara Yusuke
Published: June 2017

Teriparatide is a potent therapeutic agent for the treatment of osteoporosis. One of the aims of this analysis was to develop a population pharmacokinetic (PPK) model to understand the pharmacokinetic characteristics of the once‐weekly formulation of teriparatide. Another aim was to develop an exposure–response model to describe the relationship between change in bone mineral density (BMD) and teriparatide exposure after weekly subcutaneous administration. The PPK analysis showed that apparent total body clearance was significantly influenced by estimated creatinine clearance and the presence of osteoporosis. A data set consisting of lumbar spine BMD values for 513 osteoporosis patients whose area under the concentration–time curve (AUC) of teriparatide acetate was estimated by the developed PPK model was then compiled. Exposure–response analysis showed that the percentage change from baseline of BMD was well described by a function of the AUC of teriparatide acetate, time, and coadministration of alfacalcidol and a calcium preparation. The analysis indicated that AUC is an important parameter for predicting BMD response to once‐weekly teriparatide in osteoporosis patients.
Synthesis of Functionalized Hemi‐1,2,4‐triazinyl‐[2,2′]‐bipyridines via Telescoped Condensation of [2,2′]‐bipyridinyl‐6‐carbonitrile
Authors: Downs Ryan P. , Chin Ai Lin , Dean Kayla M. , Carrick Jesse D.
Published: June 2017

Partitioning of neutron‐poisoning lanthanides from minor actinides in used nuclear fuel using liquid–liquid separation techniques with moderately soft Lewis basic heterocyclic scaffolds is an area of intense research focus. Nitrogen heterocycles have demonstrated potential for the selective separation of Am3+ from Eu3+ in separations processes. Improved synthetic strategies are required to access more diversified complexant scaffolds for further study. The present work describes an efficient synthetic strategy for the preparation of functionalized [2,2′]‐bipyridinyl scaffolds using Pd catalysis to prepare the requisite starting material and telescoped condensation to afford direct access to hemi‐1,2,4‐triazinyl‐[2,2′]‐bipyridines with aliphatic character and potentially greater solubility in less polar diluents. Synthetic method development, optimization, and substrate scope are reported herein.