bluuebunny/crossref_metadata_2025 huggingface dataset:
Stabilization of Aliphatic Phosphines by Auxiliary Phosphine Sulfides Offers Zeptomolar Affinity and Unprecedented Selectivity for Probing Biological CuI
Authors: Morgan M. Thomas , Yang Bo , Harankhedkar Shefali , Nabatilan Arielle , Bourassa Daisy , McCallum Adam M. , Sun Fangxu , Wu Ronghu , Forest Craig R. , Fahrni Christoph J.
Published: June 2018

Full elucidation of the functions and homeostatic pathways of biological copper requires tools that can selectively recognize and manipulate this trace nutrient within living cells and tissues, where it exists primarily as CuI. Buffered at attomolar concentrations, intracellular CuI is, however, not readily accessible to commonly employed amine and thioether‐based chelators. Herein, we reveal a chelator design strategy in which phosphine sulfides aid in CuI coordination while simultaneously stabilizing aliphatic phosphine donors, producing a charge‐neutral ligand with low‐zeptomolar dissociation constant and 1017‐fold selectivity for CuI over ZnII, FeII, and MnII. As illustrated by reversing ATP7A trafficking in cells and blocking long‐term potentiation of neurons in mouse hippocampal brain tissue, the ligand is capable of intercepting copper‐dependent processes. The phosphine sulfide‐stabilized phosphine (PSP) design approach, which confers resistance towards protonation, dioxygen, and disulfides, could be readily expanded towards ligands and probes with tailored properties for exploring CuI in a broad range of biological systems.
Engineering the Coordination Environment of Single‐Atom Platinum Anchored on Graphdiyne for Optimizing Electrocatalytic Hydrogen Evolution
Authors: Yin Xue‐Peng , Wang Hong‐Juan , Tang Shang‐Feng , Lu Xiu‐Li , Shu Miao , Si Rui , Lu Tong‐Bu
Published: June 2018

Two Pt single‐atom catalysts (SACs) of Pt‐GDY1 and Pt‐GDY2 were prepared on graphdiyne (GDY)supports. The isolated Pt atoms are dispersed on GDY through the coordination interactions between Pt atoms and alkynyl C atoms in GDY, with the formation of five‐coordinated C1‐Pt‐Cl4 species in Pt‐GDY1 and four‐coordinated C2‐Pt‐Cl2 species in Pt‐GDY2. Pt‐GDY2 shows exceptionally high catalytic activity for the hydrogen evolution reaction (HER), with a mass activity up to 3.3 and 26.9 times more active than Pt‐GDY1 and the state‐of‐the‐art commercial Pt/C catalysts, respectively. Pt‐GDY2 possesses higher total unoccupied density of states of Pt 5d orbital and close to zero value of Gibbs free energy of the hydrogen adsorption (|Δ
|) at the Pt active sites, which are responsible for its excellent catalytic performance. This work can help better understand the structure–catalytic activity relationship in Pt SACs.
Docking Strategy To Construct Thermostable, Single‐Crystalline, Hydrogen‐Bonded Organic Framework with High Surface Area
Authors: Hisaki Ichiro , Suzuki Yuto , Gomez Eduardo , Cohen Boiko , Tohnai Norimitsu , Douhal Abderrazzak
Published: June 2018

Enhancing thermal and chemical durability and increasing surface area are two main directions for the construction and improvement of the performance of porous hydrogen‐bonded organic frameworks (HOFs). Herein, a hexaazatriphenylene (HAT) derivative that possesses six carboxyaryl groups serves as a suitable building block for the systematic construction of thermally and chemically durable HOFs with high surface area through shape‐fitted docking between the HAT cores and interpenetrated three‐dimensional network. A HAT derivative with carboxybiphenyl groups forms a stable single‐crystalline porous HOF that displays protic solvent durability, even in concentrated HCl, heat resistance up to 305 °C, and a high Brunauer–Emmett–Teller surface area [SA(BET)] of 1288 m2 g−1. A single crystal of this HOF displays anisotropic fluorescence, which suggests that it would be applicable to polarized emitters based on robust functional porous materials.
Reactions of Group 4 Metallocene Bis(trimethylsilyl)acetylene Complexes with Nitriles and Isonitriles
Authors: Rosenthal Uwe
Published: June 2018

This Review summarizes reactions of Group 4 metallocene bis(trimethylsilyl)acetylene complexes with nitriles and isonitriles. Selected examples of reactions of Group 4 metallocene alkyne complexes of the type Cp′2M(η2‐Me3SiC2SiMe3) with different nitriles and isonitriles are described following the general L‐M‐S principle, in which stoichiometric and catalytic reactions are influenced by ligands L, metals M, and substrate substituents S. The influence of all these parameters is highlighted. The basic reactions with nitriles and in some cases with isonitriles were investigated in detail and are summarized. Selected further reactions of the products again depend on L, M, and S. Most interesting feature for this is the formation of mono‐ and polynuclear 1‐metalla‐2,5‐diazacyclopenta‐2,4‐dienes, which show great potential for the synthesis of complex heterocycles.
The Electric Field as a “Smart” Ligand in Controlling the Thermal Activation of Methane and Molecular Hydrogen
Authors: Yue Lei , Wang Na , Zhou Shaodong , Sun Xiaoyan , Schlangen Maria , Schwarz Helmut
Published: June 2018

While pristine [TaO2]+ is rather inert in its thermal reactions with both methane and molecular hydrogen, the cluster oxide becomes reactive upon ligation with the closed‐shell ligand CO2. While the presence of CO2 increases the intrinsic barriers of the C−H and H−H bond activation steps, the efficiency of the overall reaction to generate the insertion product [Ta(R)(OH)O]+ (R=CH3, H) is greatly enhanced by the superb leaving‐group properties of CO2. The ligand effect of CO2 has been well mimicked by the electric field of a negative point charge, and mechanistic aspects are addressed by high‐level quantum chemical calculations
Does a Perinatal Infant Mental Health Team Hold the Family in Mind? Opportunities and Challenges for Working Systemically in this Specialised Field
Authors: White Jessica
Published: June 2018

This paper considers whether systemic family therapy frameworks are used in current Perinatal Infant Mental Health (PIMH) practice. PIMH is a field that is, by nature, relational, focusing on enhancing the development of early parent–infant relationships. It is well accepted that the early years of an infant's life are crucial for brain development, and disturbances in early parent–infant relationships can impact negatively upon the child's development. Five clinicians from a PIMH service in a metropolitan area participated in a focus group related to key systemic concepts: genograms, family of origin, transitions, and morphogenesis. Findings suggest that the PIMH team does hold the family in mind, utilising systemic frameworks predominately in the engagement and assessment phase of intervention. They also highlight that PIMH clinicians focus on roles and boundaries occurring within the immediate and extended family unit and support families with the transition to family expansion phase. The application of working systemically differed significantly among participants, suggesting that the use of systemic frameworks in the PIMH field requires further exploration.
Toward Father‐friendly Parenting Interventions: A Qualitative Study
Authors: Sicouri Gemma , Tully Lucy , Collins Daniel , Burn Matthew , Sargeant Kristina , Frick Paul , Anderson Vicki , Hawes David , Kimonis Eva , Moul Caroline , Lenroot Roshel , Dadds Mark
Published: June 2018

Levels of father participation in parenting interventions are often very low, yet little is known about the factors which influence father engagement. We aimed to qualitatively explore perceived barriers to, and preferences for, parenting interventions in a community sample of fathers. Forty‐one fathers across nine focus groups were interviewed using a semi‐structured interview. Data were analysed using inductive thematic analysis. Key barriers to father participation identified included: the perception that interventions are mother‐focused; beliefs about gender roles regarding parenting and help‐seeking; mothers’ role as ‘gatekeeper’; lack of knowledge and awareness of parenting interventions; and lack of relevance of interventions. Fathers reported preferences for specific content and intervention features, facilitator characteristics, practical factors, and highlighted the need for father‐targeted recruitment and advertising. Many of the barriers and preferences identified are consistent with previous research; however, fathers’ beliefs and attitudes around gender roles and help‐seeking, as well as the perception that interventions are predominantly mother‐focused, may be key barriers for community fathers. Strategies to overcome these barriers and better meet the needs of fathers in promoting and delivering parenting interventions are discussed.
BF3‐grafted Fe3O4@Sucrose nanoparticles as a highly‐efficient acid catalyst for syntheses of Dihydroquinazolinones (DHQZs) and Bis 3‐Indolyl Methanes (BIMs)
Authors: Radfar Iman , Miraki Maryam Kazemi , Ghandi Leila , Esfandiary Naghmeh , Abbasi Sepideh , Karimi Meghdad , Heydari Akbar
Published: June 2018

Current paper represents immobilization of sucrose on the Fe3O4 core and grafting of boron trifluoride (BF3) onto the new surface. The catalytic activity of these nanoparticles was tested in syntheses of Dihydroquinazolinones (DHQZs) and Bis (3‐Indolyl) Methanes (BIMs) as two fruitful pharmaceutical structures. Acidic capacity, FT‐IR, XRD, VSM, TGA and SEM–EDX tests are carried out on such novel nanoparticles (NPs). Catalyst has shown more acidic capacity per one gram of NPs than sulfonated homologue which was reported previously.
NHC‐Pd complex based on 1,3‐bis (4‐ethoxycarbonylphenyl) imidazolium chloride: synthesis, structure and catalytic activity in the synthesis of axially chiral benzophenone hydrazone
Authors: Duan Wenzeng , Sun Zhaofeng , Huo Yanmin , Liu Yanke , Wu Guangqing , Wang Ruifeng , Wu Shuang , Yao Qingxia , Gong Shuwen
Published: June 2018

A novel NHC–Pd complex of 1,3‐bis (4‐ethoxycarbonylphenyl) imidazolium chloride has been synthesized and characterized by 1H NMR, 13C NMR, IR and X‐ray single‐crystal diffraction studies. TG analysis shows that the NHC‐Pd complex is stable under 208 °C. The catalytic activities have been explored for the synthesis of axially chiral N‐(2′‐methoxy‐1,1′‐binaphthalen‐2‐yl) benzophenone hydrazone. The result indicates that the novel NHC‐Pd complex can achieve better catalytic activity than the Pd‐phosphine catalysts in the synthesis of axially chiral N‐(2′‐methoxy‐1,1′‐binaphthalen‐2‐yl) benzophenone hydrazone.
Synthesis, cytotoxic characterization, and SAR study of imidazo[1,2‐b]pyrazole‐7‐carboxamides
Authors: Demjén András , Alföldi Róbert , Angyal Anikó , Gyuris Márió , Hackler László , Szebeni Gábor J. , Wölfling János , Puskás László G. , Kanizsai Iván
Published: June 2018

The synthesis and in vitro cytotoxic characteristics of new imidazo[1,2‐b]pyrazole‐7‐carboxamides were investigated. Following a hit‐to‐lead optimization exploiting 2D and 3D cultures of MCF‐7 human breast, 4T1 mammary gland, and HL‐60 human promyelocytic leukemia cancer cell lines, a 67‐membered library was constructed and the structure–activity relationship (SAR) was determined. Seven synthesized analogues exhibited sub‐micromolar activities, from which compound 63 exerted the most significant potency with a remarkable HL‐60 sensitivity (IC50 = 0.183 μM).
Controllable Synthesis of a Highly Ordered Polymeric Structure Assembled from Cobalt‐Cluster‐based Racemic Supramolecules
Authors: Mai Hien Duy , Lee Inme , Yoo Hyojong
Published: June 2018

Metallosupramolecule‐based polymeric platforms with high degrees of hierarchy and tailorable functionalities are of great interests because of their unique morphologies and potential applications. Herein, the controllable synthesis of a highly‐ordered polymeric structure, {[M,P‐Co8(PDA)6(HIP)3(DMF)5(H2O)]3‐[Co(DMF)(H2O)2]} (1) (PDA=2,6‐pyridinedicarboxylate, HIP=5‐hydroxyisophthalate, DMF=dimethylformamide) with unique topology is reported. The solid‐state structure of 1 reveals that it is alternately and periodically assembled from racemic supramolecular monomers to form a zigzag‐shaped polymeric strand. Discrete racemic supramolecules (2) with topologies similar to those of monomeric species of 1 are also controllably synthesized in a separate reaction. Formation of intermolecular hydrogen bonds between supramolecules associated with hydroxyl groups of HIPs are critical for the unique solid‐state packing geometries of 1 and 2.
Ionic liquid pretreatment of yellow pine followed by enzymatic hydrolysis and fermentation
Authors: Bağder Elmacı Simel , Özçelik Filiz
Published: June 2018

In this study, it was aimed to enhance the enzymatic hydrolysis of recalcitrant yellow pine wood and subsequently to produce ethanol efficiently through the application of 1‐ethyl‐3‐methylimidazolium acetate (EMIMAc) ionic liquid. The effect of biomass particle size (<2.5 mm, 500‐850 μm, 363‐500 μm, and <363 μm) prior to pretreatment and pretreatment time (15, 30, and 45 min) on the structural properties and enzymatic hydrolysis yield of EMIMAc pretreated pine wood were also investigated. In general, EMIMAc functioned more efficiently at larger biomass particle sizes compared to smaller ones. Dissolution of solids by pretreatment, amount of lignin extracted from biomass as well as biomass to glucose yield was increased with increasing pretreatment time. The conversion of biomass to glucose was 56% under the selected optimum conditions (500‐850 μm particle size; 5% biomass concentration and 140°C‐45 min EMIMAc pretreatment). The biomass samples pretreated at the optimal conditions were subjected to simultaneous saccharification and fermentation (SSF) and separate hydrolysis and fermentation (SHF) which resulted in ethanol yields of 86 and 96%, respectively. The results presented in this study give a general framework for reducing the recalcitrance of pine to enzymatic saccharification and microbial fermentation by EMIMAc pretreatment without need for long pretreatment times and size reduction. © 2018 American Institute of Chemical Engineers Biotechnol. Prog., 2018
Rare compound heterozygous mutations in gene MSH6 cause constitutive mismatch repair deficiency syndrome
Authors: Ling Chao , Yang Wei , Sun Hailang , Ge Ming , Ji Yuanqi , Han Shirui , Zhang Di , Zhang Xue
Published: June 2018

Key Clinical Message

Few studies reported patients who harbored three kinds of primary tumors simultaneously. Here, we present a 9‐year‐old boy with colon carcinoma, brain medulloblastoma, and lymphoma. Genetic mutation detection was explored with next‐generation sequencing, and compound heterozygous mutations in gene MSH6 c.3103C>T p.Arg1035Ter and c.3261dupC p.Phe1088LeufsTer were discovered.
Latent and Air‐Stable Pre‐Catalysts for the Polymerization of Dicyclopentadiene: From Penta‐ to Hexacoordination in Molybdenum Imido Alkylidene N‐Heterocyclic Carbene Complexes
Authors: Elser Iris , Kordes Benjamin R. , Frey Wolfgang , Herz Katharina , Schowner Roman , Stöhr Laura , Altmann Hagen J. , Buchmeiser Michael R.
Published: June 2018

The pentacoordinated, 16‐valence electron (VE) Mo imido alkylidene N‐heterocyclic carbene (NHC) complexes I1–I5 and the hexacoordinated 18‐VE Mo imido alkylidene NHC complexes 1–4, 8, 10 and 12 containing a chelating ligand have been prepared and used as thermally latent catalysts in the ring‐opening metathesis polymerization (ROMP) of dicyclopentadiene (DCPD). Both 10 and 12 are the first Mo imido alkylidene complexes with a chelating alkylidene featuring a carboxylate group. Complexes I1–I3 and I5 as well as 1–4 proved to be fully thermally latent in the presence of DCPD. With the changes in both the electronic and steric situation at the imido ligand provided by these pre‐catalysts, different temperatures of the onset of polymerization (Tonset=65–140 °C) and for the exothermic maximum of the curing curve (Texo,max=98–183 °C) of DCPD were achieved. Also, the degree of crosslinking was successfully varied as indicated by swelling experiments in toluene, which revealed degrees of swelling between 0 and 50 %. While the introduction of a chelating alkylidene increases Tonset, the introduction of more electron‐donating anionic ligands (tert‐butoxide, phenoxide) resulted in a drastic reduction in Tonset, underlining the high flexibility of these systems. The hexacoordinated high‐oxidation state molybdenum imido alkylidene NHC complexes 2, 3 and 4 were stable under air for at least twelve hours in the solid state.
Enantiopure versus Racemic Mixture in Reversible, Two‐Step, Single‐Crystal‐to‐Single‐Crystal Transformations of Copper(II) Complexes
Authors: Ene Cristian D. , Maxim Catalin , Rouzières Mathieu , Clérac Rodolphe , Avarvari Narcis , Andruh Marius
Published: June 2018

Invited for the cover of this issue is the group of Catalin Maxim and Marius Andruh at the University of Bucharest. The image depicts la coupe du roi, a popular demonstration of chirality through the cutting of apples. Read the full text of the article at 10.1002/chem.201800404.
Utilization of deep‐sea microbial esterase PHE21 to generate chiral sec‐butyl acetate through kinetic resolutions
Authors: Wang Yilong , Xu Yongkai , Zhang Yun , Sun Aijun , Hu Yunfeng
Published: June 2018

We previously identified and characterized 1 novel deep‐sea microbial esterase PHE21 and used PHE21 as a green biocatalyst to generate chiral ethyl (S)‐3‐hydroxybutyrate, 1 key chiral chemical, with high enantiomeric excess and yield through kinetic resolution. Herein, we further explored the potential of esterase PHE21 in the enantioselective preparation of secondary butanol, which was hard to be resolved by lipases/esterases. Despite the fact that chiral secondary butanols and their ester derivatives were hard to prepare, esterase PHE21 was used as a green biocatalyst in the generation of (S)‐sec‐butyl acetate through hydrolytic reactions and the enantiomeric excess, and the conversion of (S)‐sec‐butyl acetate reached 98% and 52%, respectively, after process optimization. Esterase PHE21 was also used to generate (R)‐sec‐butyl acetate through asymmetric transesterification reactions, and the enantiomeric excess and conversion of (R)‐sec‐butyl acetate reached 64% and 43%, respectively, after process optimization. Deep‐sea microbial esterase PHE21 was characterized to be a useful biocatalyst in the kinetic resolution of secondary butanol and other valuable chiral secondary alcohols.
Direct Synthesis of Structurally Divergent Indole Alkaloids from Simple Chemicals
Authors: Shen Tao , Zhu Bencong , Lin Fengguirong , Pan Jun , Wei Jialiang , Luo Xiao , Liu Jianzhong , Jiao Ning
Published: June 2018

A direct and structurally divergent synthesis of indole alkaloids from very simple 2‐vinylanilines, alkynes and TBN via a novel substrate fragmentation/cycloaddition strategy has been developed, which provides an efficient noble‐metal‐free approach to access a library of highly valuable indole derivatives of tryptamines and tryptamine‐related oximes, lactams, and lactones, as well as β‐carbolines, spiroindolines, and hexa‐hydropyrrolo[2,3‐b]indoles.
Morphometric analysis of astrocytes in brainstem respiratory regions
Authors: SheikhBahaei Shahriar , Morris Brian , Collina Jared , Anjum Sommer , Znati Sami , Gamarra Julio , Zhang Ruli , Gourine Alexander V. , Smith Jeffrey C.
Published: June 2018

Astrocytes, the most abundant and structurally complex glial cells of the central nervous system, are proposed to play an important role in modulating the activities of neuronal networks, including respiratory rhythm‐generating circuits of the preBötzinger complex (preBötC) located in the ventrolateral medulla of the brainstem. However, structural properties of astrocytes residing within different brainstem regions are unknown. In this study astrocytes in the preBötC, an intermediate reticular formation (IRF) region with respiratory‐related function, and a region of the nucleus tractus solitarius (NTS) in adult rats were reconstructed and their morphological features were compared. Detailed morphological analysis revealed that preBötC astrocytes are structurally more complex than those residing within the functionally distinct neighboring IRF region, or the NTS, located at the dorsal aspect of the medulla oblongata. Structural analyses of the brainstem microvasculature indicated no significant regional differences in vascular properties. We hypothesize that high morphological complexity of preBötC astrocytes reflects their functional role in providing structural/metabolic support and modulation of the key neuronal circuits essential for breathing, as well as constraints imposed by arrangements of associated neurons and/or other local structural features of the brainstem parenchyma.
Leveraging Digital Health Technologies and Outpatient Sampling in Clinical Drug Development: A Phase I Exploratory Study
Authors: Dockendorf Marissa F. , Murthy Gowri , Bateman Kevin P. , Kothare Prajakti A. , Anderson Melanie , Xie Iris , Sachs Jeffrey R. , Burlage Rubi , Goldman Andra , Moyer Matthew , Shah Jyoti K. , Ruba Rachel , Shipley Lisa , Harrelson Jane
Published: June 2018

Merck & Co, Inc (Kenilworth, NJ) is investing in approaches to enrich clinical trial data and augment decision making through use of digital health technologies, outpatient sampling, and real‐time data access. As part of this strategy, a phase I study was conducted to explore a few technologies of interest. In this fixed‐sequence two‐period trial, 16 healthy subjects were administered 50‐mg once‐daily sitagliptin packaged in a bottle that electronically captured the date and time study medication was dispensed (period 1) and in a traditional pharmacy bottle (period 2). Dried blood spot samples were collected for sitagliptin concentration analysis on select study days, both in clinic and at home, with collection time recorded using an electronic diary in period 1 and by clinic staff in period 2. Study results demonstrated the feasibility and subject acceptance of collecting digital adherence data and outpatient dried blood spot samples in clinical trials and highlighted areas for future improvements.
Hierarchical Nickel–Cobalt‐Based Transition Metal Oxide Catalysts for the Electrochemical Conversion of Biomass into Valuable Chemicals
Authors: Gao Lifang , Bao Yu , Gan Shiyu , Sun Zhonghui , Song Zhongqian , Han Dongxue , Li Fenghua , Niu Li
Published: June 2018

The upgrading of biomass into sustainable and valuable fine chemicals is an alternative to the use of state‐of‐the‐art petrochemicals. The conversion of 5‐hydroxymethylfurfural (HMF) biomass derivative into 2,5‐furandicarboxylic acid (FDCA) has been recognized as an economical and green approach to replace the current polyethylene terephthalate based plastic industry. However, this reaction mostly relies on noble‐metal‐based catalysts for the sluggish aerobic oxidation of alcohol groups. In this work, we report a series of hierarchical Ni−Co‐based transition metal oxide catalysts for HMF oxidation by electrocatalysis. Comprehensive material characterization and electrochemical evaluation have been performed. A 90 % FDCA yield, nearly 100 % Faradaic efficiency, and robust stability were achieved for NiCo2O4 nanowires. As non‐precious‐metal catalysts, Ni−Co‐based transition metal oxides may open up new potential materials for highly efficient electrochemical biomass upgrading.
Design and circuit implementation of a five‐dimensional hyperchaotic system with linear parameter
Authors: Sui Yongbo , He Yigang , Yu Wenxin , Li Yan
Published: June 2018

Based on an existing 4‐dimensional Lorenz hyperchaotic system, a novel 5‐dimensional hyperchaotic system is proposed by an extra linear control coefficient in this paper. Some related characters are analysed comprehensively, including the stability of equilibrium, dissipativity, rotation symmetry, bifurcations, Lyapunov exponent, and Poincare surface of a section of the hyperchaotic system. The 5‐dimensional hyperchaotic system is then implemented and simulated in the circuit simulation software NI Multisim. The results indicate that the proposed hyperchaotic system exhibits hyperchaos, chaos, and quasi‐periodic and periodic dynamic behaviours, which can facilitate and enhance the security of chaos‐based communication.
The positive carbon stocks–biodiversity relationship in forests: co‐occurrence and drivers across five subclimates
Authors: Lecina‐Diaz Judit , Alvarez Albert , Regos Adrián , Drapeau Pierre , Paquette Alain , Messier Christian , Retana Javier
Published: June 2018

Carbon storage in forests and its ability to offset global greenhouse gas emissions, as well as biodiversity and its capacity to support ecosystem functions and services, are often considered separately in landscape planning. However, the potential synergies between them are currently poorly understood. Identifying the spatial patterns and factors driving their co‐occurrence across different climatic zones is critical to more effectively conserve forest ecosystems at the regional level. Here, we integrated information of National Forest Inventories and Breeding Bird Atlases across Europe and North America (Spain and Quebec, respectively), covering five subclimates (steppe, dry Mediterranean, humid Mediterranean, boreal, and temperate). In particular, this study aimed to (1) determine the spatial patterns of both forest carbon stocks and biodiversity (bird richness, tree richness, and overall biodiversity) and the factors that influence them; (2) establish the relationships between forest carbon stocks and biodiversity; and (3) define and characterize the areas of high (hotspots) and low (coldspots) values of carbon and biodiversity, and ultimately quantify their spatial overlap. Our results show that the factors affecting carbon and biodiversity vary between regions and subclimates. The highest values of carbon and biodiversity were found in northern Spain (humid Mediterranean subclimate) and southern Quebec (temperate subclimate) where there was more carbon as climate conditions were less limiting. High density and structural diversity simultaneously favored carbon stocks, tree, and overall biodiversity, especially in isolated and mountainous areas, often associated with steeper slopes and low accessibility. In addition, the relationship between carbon stocks and biodiversity was positive in both regions and all subclimates, being stronger where climate is a limiting factor for forest growth. The spatial overlap between hotspots of carbon and biodiversity provides an excellent opportunity for landscape planning to maintain carbon stocks and conserve biodiversity. The variables positively affecting carbon and biodiversity were also driving the hotspots of both carbon and biodiversity, emphasizing the viability of “win‐win” solutions. Our results highlight the need to jointly determine the spatial patterns of ecosystem services and biodiversity for an effective and sustainable planning of forest landscapes that simultaneously support conservation and mitigate climate change.
Aging infrastructure creates opportunities for cost‐efficient restoration of aquatic ecosystem connectivity
Authors: Neeson Thomas M. , Moody Allison T. , O'Hanley Jesse R. , Diebel Matthew , Doran Patrick J. , Ferris Michael C. , Colling Timothy , McIntyre Peter B.
Published: June 2018

A hallmark of industrialization is the construction of dams for water management and roads for transportation, leading to fragmentation of aquatic ecosystems. Many nations are striving to address both maintenance backlogs and mitigation of environmental impacts as their infrastructure ages. Here, we test whether accounting for road repair needs could offer opportunities to boost conservation efficiency by piggybacking connectivity restoration projects on infrastructure maintenance. Using optimization models to align fish passage restoration sites with likely road repair priorities, we find potential increases in conservation return‐on‐investment ranging from 17% to 25%. Importantly, these gains occur without compromising infrastructure or conservation priorities; simply communicating openly about objectives and candidate sites enables greater accomplishment at current funding levels. Society embraces both reliable roads and thriving fisheries, so overcoming this coordination challenge should be feasible. Given deferred maintenance crises for many types of infrastructure, there could be widespread opportunities to enhance the cost effectiveness of conservation investments by coordinating with infrastructure renewal efforts.
Can meta‐analysis be used as a decision‐making tool for developing scenarios and causal chains in eco‐hydrological systems? Case study in Florida
Authors: Anandhi Aavudai , Sharma Anjali , Sylvester Siera
Published: June 2018

To date, there are a high volume of studies concerning climate change impact assessments in ecosystems. Meta‐analysis, scenario development, and causal chains/loops have been used as tools in these assessments as well as in decision making either individually or combined in pairs. There exists a need to develop decision support tools that improve the linkage between climate‐impacts research and planning, management, adaptation, and mitigation decisions by providing quantitative and timely information to stakeholders and managers. The overall goal is to address this need. A specific objective was to develop a decision support tool in eco‐hydrological applications that combine three components: meta‐analysis, scenario development, and causal chains/loop. The developed tool is novel, warranted, and timely. The use of the tool is demonstrated for Florida. The meta‐analysis of 32 studies revealed precipitation changes ranged between +30% and −40%, and temperature changes ranged from +6°C to −3°C for Florida. Seven incremental scenarios were developed at 10% increments in the precipitation change range and nine scenarios with 1°C increments in the temperature change range (driving forces). The causal chains/loops were developed using Driver‐Pressure‐State‐Impact‐Response framework for selected ecosystems and environment (e.g., agroecosystem, mangroves, water resources, and sea turtles) in Florida. The driving force puts pressure on the ecosystem or environment impacting their state, which in turn had a response (e.g., mitigation and adaptation strategies). The framework used indicators selected from studies on climate impact assessments (meta‐analysis and others) for the selected ecosystems as well as author expertise on the topic to develop the chains/loops. The decision tool is applicable to stakeholders and any ecosystem within and outside of Florida.
Bottom‐up linkages between primary production, zooplankton, and fish in a shallow, hypereutrophic lake
Authors: Matsuzaki Shin‐ichiro S. , Suzuki Kenta , Kadoya Taku , Nakagawa Megumi , Takamura Noriko
Published: June 2018

Nutrient supply is a key bottom‐up control of phytoplankton primary production in lake ecosystems. Top‐down control via grazing pressure by zooplankton also constrains primary production and primary production may simultaneously affect zooplankton. Few studies have addressed these bidirectional interactions. We used convergent cross‐mapping (CCM), a numerical test of causal associations, to quantify the presence and direction of the causal relationships among environmental variables (light availability, surface water temperature, NO3‐N, and PO4‐P), phytoplankton community composition, primary production, and the abundances of five functional zooplankton groups (large cladocerans, small cladocerans, rotifers, calanoids, and cyclopoids) in Lake Kasumigaura, a shallow, hypereutrophic lake in Japan. CCM suggested that primary production was causally influenced by NO3‐N and phytoplankton community composition; there was no detectable evidence of a causal effect of zooplankton on primary production. Our results also suggest that rotifers and cyclopoids were forced by primary production, and cyclopoids were further influenced by rotifers. However, our CCM suggested that primary production was weakly influenced by rotifers (i.e., bidirectional interaction). These findings may suggest complex linkages between nutrients, primary production, and rotifers and cyclopoids, a pattern that has not been previously detected or has been neglected. We used linear regression analysis to examine the relationships between the zooplankton community and pond smelt (Hypomesus nipponensis), the most abundant planktivore and the most important commercial fish species in Lake Kasumigaura. The relative abundance of pond smelt was significantly and positively correlated with the abundances of rotifers and cyclopoids, which were causally influenced by primary production. This finding suggests that bottom‐up linkages between nutrient, primary production, and zooplankton abundance might be a key mechanism supporting high planktivore abundance in eutrophic lakes. Because increases in primary production and cyanobacteria blooms are likely to occur simultaneously in hypereutrophic lakes, our study highlights the need for ecosystem management to resolve the conflict between good water quality and high fishery production.
Design of energy‐efficient train speed profiles considering fixed‐block signaling system
Authors: Oba Naoki , Miyatake Masafumi
Published: June 2018

In dense traffic railway networks, trains may often slow down or stop between stations owing to previous train delays. If preceding train trajectory can be predicted, energy‐efficient driving can be achieved by suppressing unnecessary speed changes. In this paper, we propose an algorithm to find energy‐efficient driving considering fixed‐block signaling (FBS) system by using dynamic programming (DP). DP is suitable for use because it can optimize the control inputs with discrete and state constraints. In this paper, we discuss energy‐efficient driving by considering a FBS system using some case studies of simulation. In the simulation, we examine a technique to drive an express train in an energy‐efficient way when the preceding local train is running toward the station with passing loops. The results show that the proposed method can derive complex speed profiles for energy‐efficient driving and the train can be operated with a maximum reduced energy consumption of 8.3%.
Effect of seasons on household food insecurity in Bangladesh
Authors: Raihan Mohammad J. , Farzana Fahmida D. , Sultana Sabiha , Saha Kuntal K. , Haque Md Ahshanul , Rahman Ahmed S. , Mahmud Zeba , Black Robert E. , Choudhury Nuzhat , Ahmed Tahmeed
Published: June 2018

Agriculture is the mainstay of livelihoods of the rural Bangladeshi population with the majority involved in the staple rice production which is subjected to seasonal variation. Rice production is invariably related to food insecurity which translates to the food shortage or lean periods. In order to have a comprehensive view on food insecurity in Bangladesh, it is necessary to assess the seasonality of food insecurity status and the factors associated with it. The objective of this paper is to compare the effect of two major rice harvest seasons and the post‐aus rice harvest period on household food insecurity along with the contribution of relevant household characteristics. Data was collected during Bangladeshi aman harvest (November–January) and boro harvest (April–June) seasons and post‐aus harvest (September–October) period. Information of 47,239 households from February 2011 to November 2013 was subjected to bivariate and multivariate analyses and statistical significance was declared when p < 0.05. Around 27%, 47%, and 26% of households were food insecure during aman harvest, boro harvest, and post‐aus harvest period respectively. The aman harvest [adjusted OR (aOR): 0.54 [95% CI: 0.40–0.74; p < 0.001] and post‐aus [aOR: 0.59 [95% CI: 0.44–0.80; p < 0.001] period had a lower odds of being food insecure when compared to boro harvest season except for the northern Rangpur region. Contrary to expectation, the prevalence of household food insecurity in the defined seasons is less during post‐aus harvest period (the perceived lean period) and aman harvest season in comparison to the boro harvest season when food and work is more readily available in rural Bangladesh. There are several statistically significant household characteristics, namely household head being a farmer, educational status of household head, and household monthly income to have higher impact on food insecurity.
VIX futures pricing with conditional skewness
Authors: Yang Xinglin , Wang Peng
Published: June 2018

We develop a closed‐form VIX futures valuation formula based on the inverse Gaussian GARCH process by Christoffersen et al. that combines conditional skewness, conditional heteroskedasticity, and a leverage effect. The new model outperforms the benchmark in fitting the S&P 500 returns and the VIX futures prices. The fat‐tailed innovation underlying the model substantially reduced pricing errors during the 2008 financial crisis. The in‐ and out‐of‐sample pricing performance indicates that the new model should be a default modeling choice for pricing the medium‐ and long‐term VIX futures.
Diurnal changes in glutamate + glutamine levels of healthy young adults assessed by proton magnetic resonance spectroscopy
Authors: Volk Carina , Jaramillo Valeria , Merki Renato , O'Gorman Tuura Ruth , Huber Reto
Published: June 2018

The glutamatergic α‐amino‐3‐hydroxy‐5‐methyl‐4‐isoxazolepropionic acid (AMPA) receptor is involved in synaptic plasticity processes, and animal studies have demonstrated altered expression across the sleep wake cycle. Accordingly, glutamate levels are reduced during non‐rapid eye movement (NREM) sleep and the rate of this decrease is positively correlated with sleep EEG slow wave activity (SWA). Here, we combined proton magnetic resonance spectroscopy (1H‐MRS) and high‐density sleep EEG to assess if 1H‐MRS is sensitive to diurnal changes of glutamate + glutamine (GLX) in healthy young adults and if potential overnight changes of GLX are correlated to SWA. 1H‐MRS was measured in the parietal lobe in the evening and in the subsequent morning. High‐density sleep EEG was recorded overnight between the evening and morning scans. Our results revealed a significant overnight reduction in GLX, but no significant changes in other metabolites. The decrease in GLX positively correlated with the decrease of SWA. Our study demonstrates that quantification of diurnal changes in GLX is possible by means of 1H‐MRS and indicates that overnight changes in GLX are related to SWA, a marker that is closely linked to the restorative function of sleep. This relationship might be of particular interest in clinical populations in which sleep is disturbed.
Spatiotemporal dynamics in human visual cortex rapidly encode the emotional content of faces
Authors: Dima Diana C. , Perry Gavin , Messaritaki Eirini , Zhang Jiaxiang , Singh Krish D.
Published: June 2018

Recognizing emotion in faces is important in human interaction and survival, yet existing studies do not paint a consistent picture of the neural representation supporting this task. To address this, we collected magnetoencephalography (MEG) data while participants passively viewed happy, angry and neutral faces. Using time‐resolved decoding of sensor‐level data, we show that responses to angry faces can be discriminated from happy and neutral faces as early as 90 ms after stimulus onset and only 10 ms later than faces can be discriminated from scrambled stimuli, even in the absence of differences in evoked responses. Time‐resolved relevance patterns in source space track expression‐related information from the visual cortex (100 ms) to higher‐level temporal and frontal areas (200–500 ms). Together, our results point to a system optimised for rapid processing of emotional faces and preferentially tuned to threat, consistent with the important evolutionary role that such a system must have played in the development of human social interactions.
(2E,6E)‐2,6‐Bis(organylchalogenylmethylidene) substituted 1,4‐dithiane 1,1,4,4‐tetraoxides and N‐organyl thiomorpholine 1‐oxides as new S‐oxide derivatives of bis(2‐organylchalcogenylvinyl) sulfides
Authors: Martynov Alexander V. , Makhaeva Nataliya A. , Amosova Svetlana V.
Published: June 2018

It is shown that (2E,6E)‐2,6‐bis(chloromethylidene)‐N‐organyl thiomorpholine 1‐oxides and (2E,6E)‐2,6‐bis(chloromethylidene)‐1,4‐dithiane 1,1,4,4‐tetraoxides, unlike unoxidized analogs, (2E,6E)‐2,6‐bis(chloromethylidene)‐N‐organyl thiomorpholines, and (2E,6E)‐2,6‐bis(chloromethylidene)‐1,4‐dithiane, easily undergo stereoselective nucleophilic vinylic substitution reactions with such chalcogen‐containing nucleophiles as sodium 1‐butanethiolate, arenethiolates, and benzeneselenolate to afford previously unknown (2E,6E)‐2,6‐bis(organylchalogenylmethylidene)‐N‐organyl thiomorpholine 1‐oxides and (2E,6E)‐2,6‐bis(organylchalogenylmethylidene)‐1,4‐dithiane 1,1,4,4‐tetraoxides in high yields. The structures of the heterocycles formed have been confirmed by 1H, 13C NMR, and mass spectrometry data.
Long‐term outcomes of the Stop Traumatic OASI Morbidity Project (STOMP)
Authors: Basu Maya , Smith Dot
Published: June 2018

Objective

To evaluate long‐term sustainability of the Stop Traumatic OASI Morbidity Project (STOMP) in reducing the incidence of obstetric anal sphincter injury (OASI).

Methods

A prospective observational study of women undergoing vaginal delivery at a UK district general hospital between September 1, 2014, and February 28, 2017. The principles of STOMP involve encouraging upright positioning, verbal coaching to avoid expulsive pushing and to slow down delivery, and tactile support to the vertex to judge speed and slow down delivery. After a training period, STOMP was implemented for all vaginal deliveries. Clinical and demographic data on women affected by OASI were collected across a 30‐month period. The primary outcome measure was the incidence of OASI.

Results

There were 8782 vaginal deliveries during the 30‐month period after implementation of STOMP. There was a significant decrease in the mean incidence of OASI relative to the 9 months before implementation (P<0.001). There was a significant decrease in the incidence of OASI for both spontaneous vaginal and instrumental deliveries (both P<0.05). There was no change in the frequency of episiotomy.

Conclusions

Implementation of STOMP led to a significant decrease in OASI, confirming the sustainability of this approach to improve outcomes.
Integration of an adaptive trust‐based e‐assessment system into virtual learning environments—The TeSLA project experience
Authors: Baró‐Solé Xavier , Guerrero‐Roldan Ana E. , Prieto‐Blázquez Josep , Rozeva Anna , Marinov Orlin , Kiennert Christophe , Rocher Pierre‐Olivier , Garcia‐Alfaro Joaquin
Published: June 2018

E‐assessment is a novel form to evaluate learners' knowledge and skills in online education. Issues concerning security and privacy of learners' data must be guaranteed. Such issues are discussed under the scope of the TeSLA project, a EU‐funded project that aims at providing learners with an innovative environment that allows them to take assessments remotely, thus avoiding mandatory attendance constraints. In this letter, we outline the main concepts underlying TeSLA in terms of security and privacy of learners' data. We also report some technical hands‐on experience conducted by members of the consortium during the pilot phases of the project.
Exploring the conformational space of cobalt(III)–salen catalyst for CO2/epoxide copolymerization: Effect of quaternary ammonium salts on preference of alternative isomers
Authors: Dyduch Karol , Srebro‐Hooper Monika , Lee Bun Yeoul , Michalak Artur
Published: June 2018

Model catalysts for CO2/epoxide copolymerization based on Co(III) complexes were studied, with focus on the preference of their alternative isomers, cisβ vs. trans. The systems range from model structures without the co‐catalyst, as derived from crystallographic data, to complex models with two (CH2)4N+R3 co‐catalyst chains (R = Me, Bu) grafted onto a Co(III)–salcy core. To explore the conformational space of the latter complexes, a computational protocol was developed, combining a systematic model‐building approach with static and molecular dynamics calculations, and multilevel energy assessment (PM7 and DFT). Results demonstrate an influence of the co‐catalyst on the relative stability of the isomers. The cisβ isomer is preferred for complexes without N+‐chains and the cisβ ↔ trans isomerization is feasible. Five‐coordinate species and open‐shell electronic configurations are energetically disfavored. The cisβ preference decreases with the introduction and enlargement of (CH2)4N+R3: both isomers can be populated for R = Me, while the trans isomer is visibly preferred for R = Bu. © 2018 Wiley Periodicals, Inc.
Are there general laws for digit evolution in squamates? The loss and re‐evolution of digits in a clade of fossorial lizards (Brachymeles, Scincinae)
Authors: Wagner Günter P. , Griffith Oliver W. , Bergmann Philip J. , Bello‐Hellegouarch Gaelle , Kohlsdorf Tiana , Bhullar Anjan , Siler Cameron D.
Published: June 2018

Evolutionary simplification of autopodial structures is a major theme in studies of body‐form evolution. Previous studies on amniotes have supported Morse's law, that is, that the first digit reduced is Digit I, followed by Digit V. Furthermore, the question of reversibility for evolutionary digit loss and its implications for “Dollo's law” remains controversial. Here, we provide an analysis of limb and digit evolution for the skink genus Brachymeles. Employing phylogenetic, morphological, osteological, and myological data, we (a) test the hypothesis that digits have re‐evolved, (b) describe patterns of morphological evolution, and (c) investigate whether patterns of digit loss are generalizable across taxa. We found strong statistical support for digit, but not limb re‐evolution. The feet of pentadactyl species of Brachymeles are very similar to those of outgroup species, while the hands of these lineages are modified (2‐3‐3‐3‐2) and a have a reduced set of intrinsic hand muscles. Digit number variation suggests a more labile Digit V than Digit I, contrary to Morse's law. The observed pattern of digit variation is different from that of other scincid lizards (Lerista, Hemiergis, Carlia). Our results present the first evidence of clade‐specific modes of digit reduction.
The FEM‐BCI methods in EMC applications
Authors: Aiello G. , Alfonzetti S. , Rizzo S.A. , Salerno N.
Published: June 2018

The paper reviews the finite element method‐boundary condition iteration family of hybrid numerical methods and shows their use in some electromagnetic problems arising in electromagnetic compatibility applications, ranging from static and quasi static to dynamic ones.