bluuebunny/crossref_metadata_2025 huggingface dataset:
Alginate‐gelatin encapsulation of human endothelial cells promoted angiogenesis in in vivo and in vitro milieu
Authors: Nemati Sorour , Rezabakhsh Aysa , Khoshfetrat Ali Baradar , Nourazarian Alireza , Biray Avci Çığır , Goker Bagca Bakiye , Alizadeh Sardroud Hamed , Khaksar Majid , Ahmadi Mahdi , Delkhosh Aref , Sokullu Emel , Rahbarghazi Reza
Published: August 2017

Up to present, many advantages have been achieved in the field of cell‐based therapies by applying sophisticated methodologies and delivery approaches. Microcapsules are capable to provide safe microenvironment for cells during transplantation in a simulated physiological 3D milieu. Here, we aimed to investigate the effect of alginate‐gelatin encapsulation on angiogenic behavior of human endothelial cells over a period of 5 days. Human umbilical vein endothelial cells were encapsulated by alginate‐gelatin substrate and incubated for 5 days. MTT and autophagy PCR array analysis were used to monitor cell survival rate. For in vitro angiogenesis analysis, cell distribution of Tie‐1, Tie‐2, VEGFR‐1, and VEGFR‐2 were detected by ELISA. In addition to in vitro tubulogenesis assay, we monitored the expression of VE‐cadherin by Western blotting. The migration capacity of encapsulated HUVECs was studied by measuring MMP‐2 and MMP‐9 via gelatin zymography. The in vivo angiogenic potential of encapsulated HUVECs was analyzed in immune‐compromised mouse implant model during 7 days post‐transplantation. We demonstrated that encapsulation promoted HUVECs cell survival and proliferation. Compared to control, no significant differences were observed in autophagic status of encapsulated cells (p > 0.05). The level of Tie‐1, Tie‐2, VEGFR‐1, and VEGFR‐2 were increased, but did not reach to significant levels. Encapsulation decreased MMP‐2, ‐9 activity and increased the VE‐cadherin level in enclosed cells (p < 0.05). Moreover, an enhanced in vivo angiogenic response of encapsulated HUVECs was evident as compared to non‐capsulated cells (p < 0.05). These observations suggest that alginate‐gelatin encapsulation can induce angiogenic response in in vivo and in vitro conditions.
Incorporating LsrK AI‐2 quorum quenching capability in a functionalized biopolymer capsule
Authors: Rhoads Melissa K. , Hauk Pricila , Terrell Jessica , Tsao Chen‐Yu , Oh Hyuntaek , Raghavan Srinivasa R. , Mansy Sheref S. , Payne Gregory F. , Bentley William E.
Published: August 2017

Antibacterial resistance is an issue of increasing severity as current antibiotics are losing their effectiveness and fewer antibiotics are being developed. New methods for combating bacterial virulence are required. Modulating molecular communication among bacteria can alter phenotype, including attachment to epithelia, biofilm formation, and even toxin production. Intercepting and modulating communication networks provide a means to attenuate virulence without directly interacting with the bacteria of interest. In this work, we target communication mediated by the quorum sensing (QS) bacterial autoinducer‐2, AI‐2. We have assembled a capsule of biological polymers alginate and chitosan, attached an AI‐2 processing kinase, LsrK, and provided substrate, ATP, for enzymatic alteration of AI‐2 in culture fluids. Correspondingly, AI‐2 mediated QS activity is diminished. All components of this system are “biofabricated”—they are biologically derived and their assembly is accomplished using biological means. Initially, component quantities and kinetics were tested as assembled in microtiter plates. Subsequently, the identical components and assembly means were used to create the “artificial cell” capsules. The functionalized capsules, when introduced into populations of bacteria, alter the dynamics of the AI‐2 bacterial communication, attenuating QS activated phenotypes. We envision the assembly of these and other capsules or similar materials, as means to alter QS activity in a biologically compatible manner and in many environments, including in humans.
Virtual protein purification: A simple exercise to introduce ph as a parameter that effects ion exchange chromatography
Authors: Clark Daniel D. , Edwards Daniel J.
Published: August 2017

This article describes a simple exercise using a free, easy‐to‐use, established online program. The exercise helps to reinforce protein purification concepts and introduces undergraduates to pH as a parameter that affects anion‐exchange chromatography. The exercise was tested with biochemistry majors at California State University‐Chico. Given the versatility of the program, this work is also a model for instructors that wish to develop their own exercise to help teach other protein purification techniques. © 2017 by The International Union of Biochemistry and Molecular Biology, 46(1):91–97, 2018.
Hippocampal volume, social interactions, and the expression of the normal repertoire of resident–intruder behavior
Authors: Kalman Eszter , Keay Kevin A.
Published: August 2017

Introduction

Reduced hippocampal volumes are reported in individuals with disrupted emotional coping behaviors in both human clinical conditions and in experimental animal models of these populations. In a number of experimental animal models, it has been shown that social interactions can promote resilience and buffer the negative neural consequences of stimuli that disrupt effective coping.

Methods

Hippocampal and dentate gyrus volumes were calculated in 54 male Sprague Dawley rats; (1) single housed (n = 12), (2) single housed and exposed to daily 6‐min social interactions testing in a resident–intruder paradigm (n = 11); (3) group housed (n = 12); (4) single housed and sham injured (n = 12); (5) single housed, sham injured, and social interactions tested (n = 7).

Results

We present data which shows that even a brief daily exposure to a conspecific in resident–intruder social interactions test is sufficient to prevent the reduction in hippocampal volume triggered by single housing.

Conclusion

When considered with previously published data, these findings suggest that the expression of the full repertoire of social, nonsocial, dominance, and submissive behaviors in response to the physical presence of an intruder in the home cage plays a significant role in this maintenance of hippocampal volume.
Leadership in community mutual support groups for mental health: A qualitative case study from the leaders' perspective
Authors: Gammage Rebecca J. , Foster Juliet L.
Published: August 2017

This study explores the experience of leadership of member‐led community‐based mental health mutual support groups. Recent research has documented factors that affect these groups, including leader well‐being, but little is known about the experience of leadership at the individual level. We aimed to understand more about the experience of leadership and how leading members conceptualise their roles. Individual semi‐structured interviews were conducted with 14 leaders of a community mental health mutual support group in England and thematically analysed. Three themes were identified through which leading members conceptualised their roles and group dynamics: (a) “It's a family”; (b) professional values; and (c) working as a team. These knowledge frameworks appeared to influence leaders' well‐being and conceptualisations of their role. The potential impact of this on group stability is discussed. Recommendations are made that group and individual‐level processes be considered together in future research in mental health mutual support contexts due to their interconnected nature.
Porphyrin‐Hyperbranched Copolymer Films as Recyclable Photooxidation Catalysts for 1,5‐Dihydroxynaphthalene
Authors: Sun Kaifang , Guo Lintong , Cai Cheng , Hou Zongsheng , Ren Qizhi
Published: August 2017

Novel and stable films were easily assembled at the water–chloroform interface by noncovalent interaction between meso‐tetrakis(4‐sulfonatophenyl)porphyrins (H2TPPS, FeTPPS, and ZnTPPS) and polypeptide‐containing hyperbranched copolymers of various molecular weights. These films could be used as recyclable heterogeneous photocatalysts for the oxidation of 1,5‐dihydroxynaphthalene. Conversion yields of 91 and 88 % were obtained for H2TPPS and FeTPPS, respectively, and these values were much higher than those obtained for the corresponding porphyrin systems without polymers. These films could be easily utilized over 10 catalytic runs with only a slight decrease in the catalytic activity and low porphyrin loss. No separation or purification of either the catalyst or product was necessary, which proved that these porphyrin–hyperbranched copolymer films could be efficient, robust, and recyclable photooxidation catalysts.
Multi‐Step Consecutive Photo‐Chlorination of 1,2‐Dichloroethane: Kinetics and Reactive Distillation Experiment
Authors: Chen Xian , Xu Ge , Li Yunpeng , Chen Wei , Tang Jihai , Fei Zhaoyang , Cui Mifen , Guo Haiwei , Qiao Xu
Published: August 2017

The development and validation of a novel kinetic model for the chlorination of 1,2‐dichloroethane to ultimately hexachloroethane catalyzed by blue light are presented. A factor (Xm) related to the chlorination depth was introduced into the kinetics model, and the results showed that the dynamic features of the photo‐chlorination are better predicted by the modified model than by the conventional one. Furthermore, to enhance the selectivity towards tetrachloroethane and pentachloroethane, a novel reactive distillation with side‐reactor configuration (SRC) for the photo‐chlorination process was proposed. In order to demonstrate the technical feasibility of the process, semi‐batch SRC experiments on the laboratory scale were carried out. Up to 96.5 wt % of tetrachloroethane and pentachloroethane with molar ratios varying from 7 to 0.7 over time were obtained in the bottom product.
Investigating Intracellular Localisation and Cytotoxicity Trends for Neutral and Cationic Iridium Tetrazolato Complexes in Live Cells
Authors: Caporale Chiara , Bader Christie A. , Sorvina Alexandra , MaGee Karen D. M. , Skelton Brian W. , Gillam Todd A. , Wright Phillip J. , Raiteri Paolo , Stagni Stefano , Morrison Janna L. , Plush Sally E. , Brooks Douglas A. , Massi Massimiliano
Published: August 2017

A family of five neutral cyclometalated iridium(III) tetrazolato complexes and their methylated cationic analogues have been synthesised and characterised. The complexes are distinguished by variations of the substituents or degree of π conjugation on either the phenylpyridine or tetrazolato ligands. The photophysical properties of these species have been evaluated in organic and aqueous media, revealing predominantly a solvatochromic emission originating from mixed metal‐to‐ligand and ligand‐to‐ligand charge transfer excited states of triplet multiplicity. These emissions are characterised by typically long excited‐state lifetimes (∼hundreds of ns), and quantum yields around 5–10 % in aqueous media. Methylation of the complexes caused a systematic red‐shift of the emission profiles. The behaviour and the effects of the different complexes were then examined in cells. The neutral species localised mostly in the endoplasmic reticulum and lipid droplets, whereas the majority of the cationic complexes localised in the mitochondria. The amount of complexes found within cells does not depend on lipophilicity, which potentially suggests diverse uptake mechanisms. Methylated analogues were found to be more cytotoxic compared to the neutral species, a behaviour that might to be linked to a combination of uptake and intracellular localisation.
Cyclopalladation in the Periphery of a NHC Ligand as the Crucial Step in the Synthesis of Highly Active Suzuki–Miyaura Cross‐Coupling Catalysts
Authors: Fizia Agnes , Gaffga Maximilian , Lang Johannes , Sun Yu , Niedner‐Schatteburg Gereon , Thiel Werner R.
Published: August 2017

Starting from 2,4‐dichloropyrimidine, 4‐(2‐dialkylamino)pyrimidinyl functionalized mesitylimidazolium chlorides are accessible in a five‐step reaction sequence. Two routes leading to palladium NHC complexes derived from these ligands have been worked out: By transmetalation with the corresponding NHC‐AgCl complexes, C,N‐coordinated palladium(II) complexes can be obtained. Treatment of palladium dichloride with the imidazolium salts in pyridine and in the presence of K2CO3 gives cyclometalated and thus C,C‐coordinated compounds. The reactivities of all these compounds were investigated in detail as well as their performance in the catalytic Suzuki–Miyaura cross‐coupling reaction. It turned out that the C,C‐coordinated derivatives exhibit high catalytic activities in the coupling of arylboronic acids with aryl chlorides, which is consistent with the generally accepted mechanistic ideas on substrate activation.
Homochiral Emissive Λ8‐ and Δ8‐[Ir8Pd4]16+ Supramolecular Cages
Authors: Rota Martir Diego , Escudero Daniel , Jacquemin Denis , Cordes David B. , Slawin Alexandra M. Z. , Fruchtl Herbert A. , Warriner Stuart L. , Zysman‐Colman Eli
Published: August 2017

Synthetic self‐assembly is a powerful technique for the bottom‐up construction of discrete and well‐defined polyhedral nanostructures resembling the spherical shape of large biological systems. In recent years, numerous Archimedean‐shaped coordination cages have been reported based on the assembly of bent monodentate organic ligands containing two or more distal pyridyl rings and square‐planar PdII ions. The formation of photoactive PdII metallamacrocycles and cages, however, remain rare. Here we report the first examples of emissive and homochiral supramolecular cages of the form [Ir8Pd4]16+. These cages provide a suitably sized cavity to host large guest molecules. Importantly, encapsulation and energy transfer have been observed between the blue‐emitting NBu4[Ir(dFppy)2(CN)2] guest and the red‐emitting Δ8‐[Ir8Pd4]16+ cage.
Possible Case of Halogen Bond‐Driven Self‐Disproportionation of Enantiomers (SDE) via Achiral Chromatography
Authors: Terada Shumpei , Hirai Motohiro , Honzawa Ayaka , Kitagawa Osamu , Kamizela Angelika , Wzorek Alicja , Soloshonok Vadim A.
Published: August 2017

The major breakthrough reported in this work is the discovery of likely halogen bond‐driven self‐disproportionation of enantiomers (SDE). Taking into account that the halogen‐bonding interactions can be rationally designed and can match, or even exceed, the strength of the more familiar hydrogen bond, this discovery clearly opens an unexpected new direction of research in the areas of molecular chirality and the SDE phenomenon.
A Guide for the Design of Functional Polyaromatic Organophosphorus Materials
Authors: Hindenberg Philip , López‐Andarias Alicia , Rominger Frank , de Cózar Abel , Romero‐Nieto Carlos
Published: August 2017

Invited for the cover of this issue are groups of Abel de Cózar from the University of País Vasco, and Carlos Romero‐Nieto from the Ruprecht‐Karls‐University in Heidelberg. The image depicts the many different properties that can be achieved with different fused phosphorus heterocycles. Read the full text of the article at 10.1002/chem.201701649.
Application of the Pentafluorosulfanyl Group as a Bioisosteric Replacement
Authors: Sowaileh Munia F. , Hazlitt Robert A. , Colby David A.
Published: August 2017

The success of fluorinated molecules in drug design has led medicinal chemists to search for new fluorine‐containing substituents. A major recently developed group is the pentafluorosulfanyl group. This group is stable under physiological conditions and displays unique physical and chemical properties. There are currently few synthetic methods to install the SF5 group, yet efforts to integrate this group into lead optimization continue unabated. Typically, the SF5 group has been used as a replacement for trifluoromethyl, tert‐butyl, halogen, or nitro groups. In this review, the use of the SF5 group as a bioisosteric replacement for each of these three functionalities is compared and contrasted across various groups of biologically active molecules. The organization and presentation of these data should be instructive to medicinal chemists considering to design synthetic strategies to access SF5‐substituted molecules.
Different Color Emissive Copper Nanoclusters for Cancer Cell Imaging
Authors: Basu Kingshuk , Gayen Kousik , Mitra Tulika , Baral Abhishek , Roy Sib Sankar , Banerjee Arindam
Published: August 2017

Different sized copper nanoclusters (CuNCs) have been synthesized in water from the same metal precursor and stabilizing agent, only by altering the reducing agent, temperature and pH of the medium. As‐synthesized clusters were thoroughly characterized by fluorescent spectroscopy, matrix‐assisted laser desorption ionization (MALDI) mass spectrometry, X‐ray photoelectron spectroscopy (XPS), Fourier transform infra‐red spectroscopy (FT‐IR) and transmission electron microscopy (TEM). Interestingly, the emissive color of nanoclusters has been successfully tuned from blue to orange‐red in aqueous media and four different color emitting clusters have been found, namely, blue, cyan, green and orange‐red. Orange‐red emitting CuNC is associated with a large Stokes shift of 283 nm and it is non‐cytotoxic in nature. Fluorophores with such high Stokes shift are highly advantageous for modern microscopic techniques; in this study, the as‐synthesized orange‐red emitting clusters have been employed for imaging of cancer cells to check their ability for cell imaging for future biomedical applications.
Luseogliflozin, an SGLT2 Inhibitor, in Japanese Patients With Mild/Moderate Hepatic Impairment: A Pharmacokinetic Study
Authors: Samukawa Yoshishige , Sata Michio , Furihata Kenichi , Ito Toshifumi , Ueda Naohiko , Ochiai Hidekazu , Sakai Soichi , Kumagai Yuji
Published: August 2017

This open‐label, parallel‐group study evaluated the effect of mild and moderate hepatic impairment on the pharmacokinetics of a single dose of luseogliflozin in Japanese subjects. Thirteen subjects with hepatic impairment (mild, n = 8; moderate, n = 5) and 6 healthy subjects received a single 5‐mg dose of luseogliflozin. Serial blood sampling over 72 hours and 24‐hour urine collection were done for pharmacokinetic analysis of luseogliflozin and its metabolites and to measure pharmacokinetic and pharmacodynamic parameters, respectively. Demographic characteristics were similar at baseline for both groups. Geometric mean ratios of maximum plasma concentration (Cmax) and area under the plasma concentration–time curve from time zero to infinity (AUCinf [90%CI]) of unchanged luseogliflozin were 1.02 (0.790–1.32) and 0.774 (0.580–1.03), respectively, on comparing patients with hepatic impairment with healthy subjects, and 0.939 (0.752–1.17) and 1.00 (0.780–1.28), respectively, in subjects with mild and moderate hepatic impairment. Although mean plasma concentrations of metabolites were slightly higher in patients with hepatic impairment versus healthy subjects, their time‐course plasma concentrations were very low compared with those of unchanged luseogliflozin. Single‐dose luseogliflozin 5 mg was well tolerated by study participants, indicating luseogliflozin dose adjustment is not necessary in patients with mild and moderate hepatic impairment.
Evaluation of Potential Drug–Drug Interaction Between Delayed‐Release Dimethyl Fumarate and a Commonly Used Oral Contraceptive (Norgestimate/Ethinyl Estradiol) in Healthy Women
Authors: Zhu Bing , Nestorov Ivan , Zhao Guolin , Meka Venkata , Leahy Mark , Kam Jeanelle , Sheikh Sarah I.
Published: August 2017

Delayed‐release dimethyl fumarate (DMF) is an oral therapy for relapsing multiple sclerosis with anti‐inflammatory and neuroprotective properties. This 2‐period crossover study was conducted to evaluate the potential for drug–drug interaction between DMF (240 mg twice daily) and a combined oral contraceptive (OC; norgestimate 250 μg, ethinyl estradiol 35 μg). Forty‐six healthy women were enrolled; 32 completed the study. After the lead‐in period (OC alone), 41 eligible participants were randomized 1:1 to sequence 1 (OC and DMF coadministration in period 1; OC alone in period 2) or sequence 2 (regimens reversed). Mean concentration profiles of plasma norelgestromin (primary metabolite of norgestimate) and ethinyl estradiol were superimposable following OC alone and OC coadministered with DMF, with 90% confidence intervals of geometric mean ratios for area under the plasma concentration–time curve over the dosing interval and peak plasma concentration contained within the 0.8–1.25 range. Low serum progesterone levels during combined treatment confirmed suppression of ovulation. The pharmacokinetics of DMF (measured via its primary active metabolite, monomethyl fumarate) were consistent with historical data when DMF was administered alone. No new safety concerns were identified. These results suggest that norgestimate/ethinyl estradiol–based OCs may be used with DMF without dose modification.
A collaborative care skills workshop for carers: Can it be delivered in 1 day?
Authors: Jenkins Paul E. , Bues Sonia , Cottrell Julie , Hawkins Joel , Pinder Laura , Price Susan , Stewart Anne
Published: August 2017

Carers of individuals with eating disorders (EDs) report high levels of burden and distress and describe a number of unmet needs. As a result, a number of interventions have been designed to support carers, including the “Maudsley eating disorder collaborative care skills workshops,” which comprise six 2‐hr workshops delivered over 3 months for parents and carers of people with EDs. The current study aimed to test a proof‐of‐concept that this workshop could be effectively delivered in 1 day. An additional aim was to assess whether the workshop had direct effects on carer skills. A nonexperimental repeated measures research design was employed, giving measures before and after a 1‐day workshop. Results suggested significant increases in carer self‐efficacy and carer skills, with moderate to large effect sizes. Qualitative analyses supported these results whilst also generating ideas to improve the 1‐day workshop.
Peer Review Certifies Quality and Innovation in Clinical Pharmacology & Therapeutics
Authors: Waldman SA , Terzic A
Published: August 2017

Clinical Pharmacology & Therapeutics (CPT) is an established voice of the discipline, a trusted source of new knowledge showcasing discovery, translation, and application of novel therapeutic paradigms to advance the management of patients and populations. Identifying, evaluating, prioritizing, and disseminating the best science along the discovery–development–regulatory–utilization continuum are responsibilities shared through peer review. To enhance the uniformity of this essential component of quality assurance and innovation, and maximize the value of the journal and its contents to authors, reviewers, and the readership, we review key concepts concerning peer review as it specifically relates to CPT.
Performance and Ageing Robustness of Graphite/NMC Pouch Prototypes Manufactured through Eco‐Friendly Materials and Processes
Authors: Loeffler Nicholas , Kim Guk.‐T. , Passerini Stefano , Gutierrez Cesar , Cendoya Iosu , De Meatza Iratxe , Alessandrini Fabrizio , Appetecchi Giovanni B.
Published: August 2017

Graphite/lithium nickel‐manganese‐cobalt oxide (NMC), stacked pouch cells with nominal capacity of 15–18 Ah were designed, developed, and manufactured for automotive applications in the frame of the European Project GREENLION. A natural, water‐soluble material was used as the main electrode binder, thus allowing the employment of H2O as the only processing solvent. The electrode formulations were developed, optimized, and upscaled for cell manufacturing. Prolonged cycling and ageing tests revealed excellent capacity retention and robustness toward degradation phenomena. For instance, above 99 % of the initial capacity is retained upon 500 full charge/discharge cycles, corresponding to a fading of 0.004 % per cycle, and about 80 % of the initial capacity is delivered after 8 months ageing at 45 °C. The stacked soft‐packaged cells have shown very reproducible characteristics and performance, reflecting the goodness of design and manufacturing.
Electrochemical Reduction of Protic Supercritical CO2 on Copper Electrodes
Authors: Melchaeva Olga , Voyame Patrick , Bassetto Victor Costa , Prokein Michael , Renner Manfred , Weidner Eckhard , Petermann Marcus , Battistel Alberto
Published: August 2017

The electrochemical reduction of carbon dioxide is usually studied in aqueous solutions under ambient conditions. However, the main disadvantages of this method are high hydrogen evolution and low faradaic efficiencies of carbon‐based products. Supercritical CO2 (scCO2) can be used as a solvent itself to suppresses hydrogen evolution and tune the carbon‐based product yield; however, it has received little attention for this purpose. Therefore, the focus of this study was on the electrochemical reduction of scCO2. The conductivity of scCO2 was increased through the addition of supporting electrolyte and a cosolvent (acetonitrile). Furthermore, the addition of protic solutions of different pH to scCO2 was investigated. 1 m H2SO4, trifluoroethanol, H2O, KOH, and CsHCO3 solutions were used to determine the effect on current density, faradaic efficiency, and selectivity of the scCO2 reduction. The reduction of scCO2 to methanol and ethanol are reported for the first time. However, methane and ethylene were not observed. Additionally, corrosion of the Cu electrode was noticed.
Merit of hybrid EDFA/Raman amplification in fixed‐grid all‐optical network exploiting multirate transponders
Authors: Ahmad Arsalan , Bianco Andrea , Chouman Hussein , DeTommas Daniele , Marchetto Guido , Tahir Sarosh , Curri Vittorio
Published: August 2017

The constant need to improve network capacity and reduce power consumption in current fixed‐grid WDM networks motivates researchers to find alternative solutions other than replacing the deployed equipment. One of the possible solutions is the use of hybrid EDFA/Raman amplifier, which improves signal‐to‐noise‐ratio in a point‐to‐point link. This work aims at quantifying, by means of a detailed power model, the effect of these novel ideas on the power consumption of the network, which is key to build a future green Internet. In particular, we consider the use of a randomly generated topology of 20 nodes to study the effect of hybrid amplification, fiber type, fiber span length, and sensitivity to average link length and average traffic per node. Results show that hybrid amplification in moderate pumping regime minimizes total network power consumption for networks made up of all 3 fiber types in particular for nonzero dispersion‐shifted fiber.
Subcatchment deltas and upland features influence multiscale aquatic ecosystem recovery in damaged landscapes
Authors: Kielstra Brian W. , Arnott Shelley E. , Gunn John M.
Published: August 2017

Assessing biological recovery in damaged aquatic environments requires the consideration of multiple spatial and temporal scales. Past research has focused on assessing lake recovery from atmospheric or catchment disturbance at regional or catchment levels. Studies have also rarely considered the influences of adjacent terrestrial characteristics on within‐lake habitats, such as subcatchment delta confluences. We usedHyalella azteca, a ubiquitous freshwater amphipod, as a sensitive indicator to assess the importance of local subcatchment scale factors in the context of multiscale lake recovery within the metal mining region of Sudbury, Canada following a period of major reductions in atmospheric pollution. At the regional scale, data from repeated surveys of 40 lakes showed higher probabilities ofH. aztecaoccurrence with higher lake water conductivity, alkalinity, andpHand lower metal concentrations. The importance of metals decreased through time and the importance of higher conductivity, alkalinity, andpHincreased. At the subcatchment scale, a subset of six lakes sampled across a colonization gradient revealed higherH. aztecaabundances at subcatchment delta sites than non‐delta sites in early colonization stages, and that abundance at delta sites was correlated with both within‐lake habitat and terrestrial subcatchment characteristics. For example, wetland cover reduced the strength of positive associations betweenH. aztecaabundance and macrophyte density. A single lake from this subset also revealed higher abundances at delta sites associated with higher concentrations of terrestrial organic matter and larger subcatchments. Our results demonstrate that factors affecting recovery can change with the scale of study, and that managing terrestrial‐aquatic linkages is important for facilitating recovery processes within damaged lake ecosystems.
(Planar‐Chiral) Ferrocenylmethanols: From Anionic Homo Phospho‐Fries Rearrangements to α‐Ferrocenyl Carbenium Ions
Authors: Korb Marcus , Mahrholdt Julia , Lang Heinrich
Published: August 2017

The reaction of FcCH2OH with chlorophosphates gave ferrocenyl phosphates FcCH2OP(O)(OR)2 [Fc = Fe(η5‐C5H5)(η4‐C5H4)], which readily separate into phosphate anions and ferrocenyl carbo‐cations. The latter species undergoes consecutive reactions, for example, electrophilic aromatic substitutions. When nitriles, instead of alcohols, are treated with FcLi or tBuLi and chlorophosphates, chiral‐pool based ferrocenylimino phosphoramidates Fc‐CR=N‐P(O)(OR*)2 are formed, which are promising candidates for anionic homo phospho‐Fries rearrangements. Moreover, the sterically demanding chiral chlorophosphate with R* enabled oxidative couplings of the imines to form a diferrocenylazine. Similarly, the reaction of Fc–Li with 9‐anthrylnitrile produced a 10‐ferrocenyl‐substituted product, contrary to a reaction at the C≡N functionality. A planar‐chiral ortho‐P(S)Ph2‐functionalized ferrocenylmethanol also gave carbo‐cations under acidic conditions. These species can be sulfurized in a unique way giving thio ethers, whereby the in situ formed 1,2‐P(S)Ph2,CH2+ ferrocene cation acts as the sulfur and electron source. However, lowering the substrate concentration prevents sulfur migration, resulting in electrophilic substitution reactions with aromatic solvents. Planar‐chiral ferrocenylmethyl thio or anisyl derivatives were applied as ligands in Pd‐catalyzed Suzuki–Miyaura C,C cross‐couplings for the atroposelective synthesis of hindered biaryls with up to 26 % ee at low catalyst loadings (1 mol‐% Pd).
C–H Bond Activation and Isoprene Polymerization by Lutetium Alkylaluminate/gallate Complexes Bearing a Peripheral Boryl and a Bulky Hydrotris(pyrazolyl)borate Ligand
Authors: Bonath Martin , Hollfelder Christoph O. , Schädle Dorothea , Maichle‐Mössmer Cäcilia , Sirsch Peter , Anwander Reiner
Published: August 2017

The bimetallic lutetium alkylaluminate complex [(TptBu,Me)Lu(Me)(AlMe3{B(NDippCH)2})] {TptBu,Me = hydrotris(3‐Me‐5‐tBu‐pyrazolyl)borate} formed readily upon addition of 0.5 equivalents of the organoaluminum boryl compound [Me2Al{B(NDippCH)2}]2 (Dipp = C6H3iPr2‐2,6) to [(TptBu,Me)LuMe2] in n‐hexane solution. Thermally induced cyclometalative C–H bond activation of this compound led to the formation of [(Tp(tBu–H)₂/tBu,Me)Lu(AlMe2{B(NDippCH)2})] {Tp(tBu–H)₂/tBu,Me = hydro(3‐Me‐5‐tBu‐pyrazolyl)bis[µ‐(3‐Me‐5‐Me2CCH2‐pyrazolyl)]borate} in quantitative yields. The latter complex bears an unusual κ5 coordination mode of the activated tris(pyrazolyl)borate ligand. Additionally, one Lu–CH2(R) moiety is coordinated by a “neutral” [Me2Al{B(NDippCH)2}] unit, which can be separated off by addition of THF or trimethylaluminum. The gallium analogue of complex [(TptBu,Me)Lu(Me)(AlMe3{B(NDippCH)2})] could not be isolated from the respective reaction of monomeric [Me2Ga{B(NDippCH)2}] with [(TptBu,Me)LuMe2], but the C–H bond activated gallate complex [(Tp(tBu–H)₂/tBu,Me)Lu(GaMe2{B(NDippCH)2})] was obtained instead following a prolonged mild thermal treatment. The performance of the new lutetium complexes as precatalysts in the polymerization of isoprene was assessed and possible activation and deactivation scenarios were studied by NMR spectroscopy.
Reactivity of Bis(sulfonyl) O,C,O‐Chelated Metallylenes in Cycloaddition with ortho‐Benzoquinone: An Experimental and Computational Study
Authors: Deak Noémi , Moraru Ionut‐Tudor , Saffon‐Merceron Nathalie , Madec David , Nemes Gabriela
Published: August 2017

The reactivity of a germylene and a stannylene containing an O,C,O‐coordinating pincer‐type ligand [2,6‐(RO2S)2‐4‐tBuC6H2]– (R = tolyl) was investigated towards ortho‐benzoquinone. The effect of the bis(sulfonyl) O2S‐C‐SO2 pincer‐type ligand and the benzoquinone group on the stability of the resulting cycloadducts was studied through experimental and computational techniques. The structures of the obtained products were determined in solution and in the solid state by multinuclear NMR and IR spectroscopy, mass spectrometry and single‐crystal X‐ray diffraction. DFT calculations, carried out at the B3LYP‐D3/Def2‐TZVP and M11‐L/Def2‐TZVP levels of theory, were performed in order to bring further clarification concerning the nature of the chemical bonding and the coordination geometry of these species. In addition, the stability of the metallylenes towards hydrolysis and dimerization was assessed.
Ag[B(SO4)2] – Synthesis, Crystal Structure, and Characterization of the First Precious‐Metal Borosulfate
Authors: Bruns Jörn , Podewitz Maren , Schauperl Michael , Liedl Klaus R. , Janka Oliver , Pöttgen Rainer , Huppertz Hubert
Published: August 2017

Invited for the cover of this issue is the international collaboration of the Huppertz and Liedl groups (Leopold‐Franzenss‐Universität, Innsbruck, Austria) with Oliver Janka associated to the Pöttgen Group (Westfälische Wilhelms‐Universität, Münster, Germany). The cover image shows the synthesis of the first precious‐metal borosulfate, Ag[B(SO4)2].
A Phosphorus Analogue of Acenaphthylene
Authors: Huang Haiyang , Wei Zhibin , Wang Mincan , Duan Zheng , Mathey François
Published: August 2017

A 1‐phosphaacenaphthylene has been obtained by the deprotonation and collapse of the phosphorus bridge of an appropriate 7‐phosphanorbornenium salt. DFT computations showed that the molecule has an elongated P=C double bond of 1.736 Å with a strained C–P=C angle of 88.9°. The P lone pair corresponds to the HOMO–2. Its complexation by [W(CO)5] or AuCl induced a clean addition of methanol and water to the P=C double bond. The water addition product was characterized by X‐ray crystal structure analysis.
The role of retributive justice and the use of international criminal tribunals in post‐conflict reconciliation
Authors: Li Mengyao , Leidner Bernhard , Petrović Nebojša , Orazani Seyed Nima , Rad Mostafa Salari
Published: August 2017

Four experiments examined people's responses to intergroup violence either committed or suffered by their own group. Experiment 1 demonstrated that Serbs who strongly glorified Serbia were more supportive of future violence against, and less willing to reconcile with, Bosniaks after reading about Serbian victimization by Bosniaks rather than Serbian transgressions against Bosniaks. Replicating these effects with Americans in the context of American–Iranian tensions, Experiment 2 further showed that demands for retributive justice explained why high glorifiers showed asymmetrical reactions to ingroup victimization vs. perpetration. Again in the Serb and the American context, respectively, Experiments 3 and 4 demonstrated that post‐conflict international criminal tribunals can help satisfy victim group members' desire for retributive justice, and thereby reduce their support for future violence and increase their willingness to reconcile with the perpetrator group. The role of retributive justice and the use of international criminal justice in intergroup conflict (reduction) are discussed.
Exploring social identity change during mental healthcare transition
Authors: McNamara Niamh , Coyne Imelda , Ford Tamsin , Paul Moli , Singh Swaran , McNicholas Fiona
Published: August 2017

Adolescents attending Child & Adolescent Mental Health Services (CAMHS) requiring ongoing care are transferred to adult services (AMHS) at eighteen. Many young people with service needs are not being referred, or are refusing referral to AMHS. This study explored these issues from a social identity change perspective. Transcripts of interviews conducted with young people (n = 11), their parents (n = 5) and child (n = 11) and adult (n = 8) psychiatrists were thematically analysed. Transition to AMHS confirmed an illness identity. Young people adopting this identity saw continued service engagement as identity‐congruent. Disengagement was attributed to failure to adopt an illness identity or to an emerging adult identity associated with greater independence. Fractious professional relationships hindered transition and delayed the formation of a therapeutic alliance with AMHS staff. Disengagement post‐transfer was linked to incompatibility between the AMHS service remit and specific illness identities. This study demonstrates how an intersection between identities shapes service engagement and disengagement.
Inverse photovoltaic yield model for global horizontal irradiance reconstruction
Authors: Elsinga Boudewijn , van Sark Wilfried , Ramaekers Lou
Published: August 2017

This article describes the method of deriving Global Horizontal Irradiance (GHI) from combining power measurements with static meta data (tilt, orientation, brand/type) of rooftop photovoltaic (PV)‐systems. This inverse PV model implements a forward yield model that is based on a modified Orgill and Hollands decomposition model and the Perez transposition model for irradiance. The forward as well as the inverse PV model were validated with DC power measurements of four different mono‐ and polycrystalline modules combined with weather station data (2 minute resolution data over a period ranging from the 11th of June through the 24th of August 2014). The bias‐corrected forward PV model shows a best (r)RMSE of 16.0 W (15.1%) with a (r)MBE of −1.67 W (−1.57%) for one of the polycrystalline modules. The bias‐corrected inverse PV model shows a best (r)RMSE of 65.6 Wm−2 15.1% with a (r)MBE of 0.994 Wm−2 (0.229%) for one of the polycrystalline modules. Similar results were obtained for the three other modules.
Impacts of temperature and selected chemical digestion methods on microplastic particles
Authors: Munno Keenan , Helm Paul A. , Jackson Donald A. , Rochman Chelsea , Sims Alina
Published: August 2017

Alkaline and wet peroxide oxidation chemical digestion techniques used to extract microplastics from organic matrices were assessed for recoveries and for impacts on ability to identify polymer types. Methods using wet peroxide oxidation generated enough heat to result in the complete loss of some types of microplastic particles, and boiling tests confirmed that temperatures >70 °C were responsible for the losses. Fourier transform infrared spectroscopy (FT-IR) confirmed minimal alteration of the recovered polymers by the applied methods. Environ Toxicol Chem 2018;37:91–98. © 2017 SETAC
Boundary spanners and intra‐MNC knowledge sharing: The roles of controlled motivation and immediate organizational context
Authors: Minbaeva Dana , Santangelo Grazia D.
Published: August 2017

Research summary

We examine the conditions under which boundary spanners positively contribute to intra‐MNC knowledge sharing. Specifically, we argue that the knowledge‐sharing behavior of boundary spanners should not be taken for granted, as it is affected by the individual's motivation to share knowledge and is contingent upon the immediate organizational context in which the individual is located. An analysis of data covering 482 individuals located in different business units of a Danish MNC confirms our arguments.

Managerial summary

Boundary spanners are employees who act as knowledge intermediaries between many individuals from within and outside their organizations. They are well connected internally and externally and share knowledge across MNC units to a greater extent than non‐boundary spanners. However, their contribution to knowledge sharing should not be taken for granted as it depends on their motivation and their immediate context.
Deep learning with convolutional neural networks for EEG decoding and visualization
Authors: Schirrmeister Robin Tibor , Springenberg Jost Tobias , Fiederer Lukas Dominique Josef , Glasstetter Martin , Eggensperger Katharina , Tangermann Michael , Hutter Frank , Burgard Wolfram , Ball Tonio
Published: August 2017

Deep learning with convolutional neural networks (deep ConvNets) has revolutionized computer vision through end‐to‐end learning, that is, learning from the raw data. There is increasing interest in using deep ConvNets for end‐to‐end EEG analysis, but a better understanding of how to design and train ConvNets for end‐to‐end EEG decoding and how to visualize the informative EEG features the ConvNets learn is still needed. Here, we studied deep ConvNets with a range of different architectures, designed for decoding imagined or executed tasks from raw EEG. Our results show that recent advances from the machine learning field, including batch normalization and exponential linear units, together with a cropped training strategy, boosted the deep ConvNets decoding performance, reaching at least as good performance as the widely used filter bank common spatial patterns (FBCSP) algorithm (mean decoding accuracies 82.1% FBCSP, 84.0% deep ConvNets). While FBCSP is designed to use spectral power modulations, the features used by ConvNets are not fixed a priori. Our novel methods for visualizing the learned features demonstrated that ConvNets indeed learned to use spectral power modulations in the alpha, beta, and high gamma frequencies, and proved useful for spatially mapping the learned features by revealing the topography of the causal contributions of features in different frequency bands to the decoding decision. Our study thus shows how to design and train ConvNets to decode task‐related information from the raw EEG without handcrafted features and highlights the potential of deep ConvNets combined with advanced visualization techniques for EEG‐based brain mapping. Hum Brain Mapp 38:5391–5420, 2017. © 2017 Wiley Periodicals, Inc.
The role of vascular resistance in BOLD responses to progressive hypercapnia
Authors: Duffin James , Sobczyk Olivia , Crawley Adrian , Poublanc Julien , Venkatraghavan Lashmi , Sam Kevin , Mutch Alan , Mikulis David , Fisher Joseph
Published: August 2017

The ability of the cerebral vasculature to regulate vascular diameter, hence resistance and cerebral blood flow (CBF), in response to metabolic demands (neurovascular coupling), and perfusion pressure changes (autoregulation) may be assessed by measuring the CBF response to carbon dioxide (CO2). In healthy individuals, the CBF response to a ramp CO2 stimulus from hypocapnia to hypercapnia is assumed sigmoidal or linear. However, other response patterns commonly occur, especially in individuals with cerebrovascular disease, and these remain unexplained. CBF responses to CO2 in a vascular region are determined by the combined effects of the innate vascular responses to CO2 and the local perfusion pressure; the latter ensuing from pressure‐flow interactions within the cerebral vascular network. We modeled this situation as two vascular beds perfused in parallel from a fixed resistance source. Our premise is that all vascular beds have a sigmoidal reduction of resistance in response to a progressive rise in CO2. Surrogate CBF data to test the model was provided by magnetic resonance imaging of blood oxygen level‐dependent (BOLD) signals. The model successfully generated all the various BOLD‐CO2 response patterns, providing a physiological explanation of CBF distribution as relative differences in the network of vascular bed resistance responses to CO2. Hum Brain Mapp 38:5590–5602, 2017. © 2017 Wiley Periodicals, Inc.
Neural predictors of motor control and impact of visuo‐proprioceptive information in youth
Authors: Corporaal Sharissa H.A. , Gooijers Jolien , Chalavi Sima , Cheval Boris , Swinnen Stephan P. , Boisgontier Matthieu P.
Published: August 2017

For successful motor control, the central nervous system is required to combine information from the environment and the current body state, which is provided by vision and proprioception respectively. We investigated the relative contribution of visual and proprioceptive information to upper limb motor control and the extent to which structural brain measures predict this performance in youth (n = 40; age range 9–18 years). Participants performed a manual tracking task, adopting in‐phase and anti‐phase coordination modes. Results showed that, in contrast to older participants, younger participants performed the task with lower accuracy in general and poorer performance in anti‐phase than in‐phase modes. However, a proprioceptive advantage was found at all ages, that is, tracking accuracy was higher when proprioceptive information was available during both in‐ and anti‐phase modes at all ages. The microstructural organization of interhemispheric connections between homologous dorsolateral prefrontal cortices, and the cortical thickness of the primary motor cortex were associated with sensory‐specific accuracy of tracking performance. Overall, the findings suggest that manual tracking performance in youth does not only rely on brain regions involved in sensorimotor processing, but also on prefrontal regions involved in attention and working memory. Hum Brain Mapp 38:5628–5647, 2017. © 2017 Wiley Periodicals, Inc.
The effects of memory training on behavioral and microstructural plasticity in young and older adults
Authors: de Lange Ann‐Marie Glasø , Bråthen Anne Cecilie Sjøli , Rohani Darius A. , Grydeland Håkon , Fjell Anders M. , Walhovd Kristine B.
Published: August 2017

Age differences in human brain plasticity are assumed, but have not been systematically investigated. In this longitudinal study, we investigated changes in white matter (WM) microstructure in response to memory training relative to passive and active control conditions in 183 young and older adults. We hypothesized that (i) only the training group would show improved memory performance and microstructural alterations, (ii) the young adults would show larger memory improvement and a higher degree of microstructural alterations as compared to the older adults, and (iii) changes in memory performance would relate to microstructural alterations. The results showed that memory improvement was specific to the training group, and that both the young and older participants improved their performance. The young group improved their memory to a larger extent compared to the older group. In the older sample, the training group showed less age‐related decline in WM microstructure compared to the control groups, in areas overlapping the corpus callosum, the cortico‐spinal tract, the cingulum bundle, the superior longitudinal fasciculus, and the anterior thalamic radiation. Less microstructural decline was related to a higher degree of memory improvement. Despite individual adaptation securing sufficient task difficulty, no training‐related group differences in microstructure were found in the young adults. The observed divergence of behavioral and microstructural responses to memory training with age is discussed within a supply‐demand framework. The results demonstrate that plasticity is preserved into older age, and that microstructural alterations may be part of a neurobiological substrate for behavioral improvements in older adults. Hum Brain Mapp 38:5666–5680, 2017. © 2018 The Authors Human Brain Mapping Published byWiley Periodicals, Inc.