bluuebunny/crossref_metadata_2025 huggingface dataset:
Popcorn Inspired Porous Macrocellular Carbon: Rapid Puffing Fabrication from Rice and Its Applications in Lithium–Sulfur Batteries
Authors: Zhong Yu , Xia Xinhui , Deng Shengjue , Zhan Jiye , Fang Ruyi , Xia Yang , Wang Xiuli , Zhang Qiang , Tu Jiangping
Published: September 2017

The advancement of electrochemical energy storage is closely bound up with the breakthrough of controllable fabrication of energy materials. Inspired by a popcorn fabrication from corn raw, herein a unique porous macrocellular carbon composed of cross‐linked nano/microsheets by a powerful puffing of rice precursor is described. The rice is directly puffed with a volume enlargement of ≈20 times when it is instantaneously released from a sealed environment with a high pressure of 1.0 MPa at 200 °C. Interestingly, when metal (e.g., Ni) nanoparticles are embedded in the puffed rice derived carbon (PRC), high‐quality PRC/metal composites are achieved with attractive properties of a high electrical conductivity of ≈7.2 × 104 S m−1, a large porosity of 85.1%, and a surface area of 1492.2 m2 g−1. The PRC/Ni are employed as a host in lithium–sulfur batteries. The designed PRC/Ni/S electrode exhibits a high reversible capacity of 1257.2 mA h g−1 at 0.2 C, a prolonged cycle life (821 mA h g−1 after 500 cycles), and enhanced rate capability, much better than other counterparts (PRC/S and rGO/S). The excellent properties are attributed to the advantages of PRC/Ni network with a high electrical conductivity, strong adsorption/blocking ability for polysulfides, and interconnected porous framework.
Graphene‐Based Electron Transport Layers in Perovskite Solar Cells: A Step‐Up for an Efficient Carrier Collection
Authors: Biccari Francesco , Gabelloni Fabio , Burzi Erica , Gurioli Massimo , Pescetelli Sara , Agresti Antonio , Del Rio Castillo Antonio Esaú , Ansaldo Alberto , Kymakis Emmanuel , Bonaccorso Francesco , Di Carlo Aldo , Vinattieri Anna
Published: September 2017

The electron transport layer (ETL) plays a fundamental role in perovskite solar cells. Recently, graphene‐based ETLs have been proved to be good candidate for scalable fabrication processes and to achieve higher carrier injection with respect to most commonly used ETLs. Here, the effects of different graphene‐based ETLs in sensitized methylammonium lead iodide (MAPI) solar cells are experimentally studied. By means of time‐integrated and picosecond time‐resolved photoluminescence techniques, the carrier recombination dynamics in MAPI films embedded in different ETLs is investigated. Using graphene doped mesoporous TiO2 (G+mTiO2) with the addition of a lithium‐neutralized graphene oxide (GO‐Li) interlayer as ETL, it is found find that the carrier collection efficiency is increased by about a factor two with respect to standard mTiO2. Taking advantage of the absorption coefficient dispersion, the MAPI layer morphology is probed, along the thickness, finding that the MAPI embedded in the ETL composed by G+mTiO2 plus GO‐Li brings to a very good crystalline quality of the MAPI layer with a trap density about one order of magnitude lower than that found with the other ETLs. In addition, this ETL freezes MAPI at the tetragonal phase, regardless of the temperature. Graphene‐based ETLs can open the way to significant improvement of perovskite solar cells.
Flexible Composite Solid Electrolyte Facilitating Highly Stable “Soft Contacting” Li–Electrolyte Interface for Solid State Lithium‐Ion Batteries
Authors: Yang Luyi , Wang Zijian , Feng Yancong , Tan Rui , Zuo Yunxing , Gao Rongtan , Zhao Yan , Han Lei , Wang Ziqi , Pan Feng
Published: September 2017

A flexible composite solid electrolyte membrane consisting of inorganic solid particles (Li1.3Al0.3Ti1.7(PO4)3), polyethylene oxide (PEO), and boronized polyethylene glycol (BPEG) is prepared and investigated. This membrane exhibits good stability against lithium dendrite, which can be attributed to its well‐designed combination components: the compact inorganic lithium ion conducting layer provides the membrane with good mechanical strength and physically barricades the free growth of lithium dendrite; while the addition of planar BPEG oligomers not only disorganizes the crystallinity of the PEO domain, leading to good ionic conductivity, but also facilitates a “soft contact” between interfaces, which not only chemically enables homogeneous lithium plating/stripping on the lithium metal anode, but also reduces the polarization effects. In addition, by employing this membrane to a LiFePO4/Li cell and testing its galvanostatic cycling performances at 60 °C, capacities of 158.2 and 94.2 mA h g−1 are delivered at 0.1 C and 2 C, respectively.
Enhancing the Photovoltaic Performance via Vertical Phase Distribution Optimization in Small Molecule:PC71BM Blends
Authors: Zhang Yajie , Deng Dan , Wang Zaiyu , Wang Yuheng , Zhang Jianqi , Fang Jin , Yang Yang , Lu Guanghao , Ma Wei , Wei Zhixiang
Published: September 2017

Bulk heterojunction (BHJ) morphologies are vital to the device performance of organic solar cells (OSCs), including phase separation in lateral and vertical directions. However, the morphology developed from the blend solution is not easily predicted and controlled, especially in the vertical direction, because the BHJ morphology is kinetically frozen during the rapid solvent evaporation process. Here, a simple approach to control BHJ morphologies with optimized phase distribution for small molecule:[6,6]‐phenyl‐C71‐butyric acid methyl ester (PC71 BM) blends by enhancing the substrate temperature during the spin‐coating process. Three molecules with various fluorine atoms in the end acceptor units are selected. The relationship among molecular structures, substrate temperature effects on the morphology, and device performances are symmetrically investigated. Low temperature induces a multiple‐sublayer‐like architecture with significantly varied distributions of composition, morphology, and localized state energy, while high processing temperature induces more uniform film. The short‐circuit current, open‐circuit voltage, and fill factor of the devices are tuned with synergic improvement of efficiency toward over 10% and 11% for conventional and inverted devices. This work reveals the origination of vertical phase segregation, and provides a facile strategy to optimize the hierarchical phase separation for enhancing the performance of OSCs.
Unity Convoluted Design of Solid Li‐Ion Battery and Triboelectric Nanogenerator for Self‐Powered Wearable Electronics
Authors: Liu Xi , Zhao Kun , Wang Zhong Lin , Yang Ya
Published: September 2017

Wearable electronics suffer from severe power shortage due to limited working time of Li‐ion batteries, and there is a desperate need to build a hybrid device including energy scavenging and storing units. However, previous attempts to integrate the two units are mainly based on simple external connections and assembly, so that maintaining small volume and low manufacturing cost becomes increasingly challenging. Here a convoluted power device is presented by hybridizing internally a solid Li‐ion battery (SLB) and a triboelectric nanogenerator (TENG), so that the two units are one inseparable entity. The fabricated device acts as a TENG that can deliver a peak output power of 7.4 mW under a loading resistance of 7 MΩ, while the device also acts as an SLB to store the obtained electric energy. The device can be mounted on a human shoe to sustainably operate a green light‐emitting diode, thus demonstrating potential for self‐powered wearable electronics.
Multiscale modeling of methane catalytic partial oxidation: From the mesopore to the full‐scale reactor operation
Authors: Navalho Jorge E. P. , Pereira José M. C. , Pereira José C. F.
Published: September 2017

A multiscale methodology combining three different reactor length‐scales is presented to investigate the role of the catalyst internal pore structure and metal loading and dispersion on the catalyst layer and full‐scale reactor performances. At the catalyst level, the methodology involves pore‐scale simulations in the three‐dimensional mesopore and macropore space. The information gathered at the catalyst level is delivered to the full‐scale reactor model. The methodology is applied to a honeycomb reactor performing methane partial oxidation considering reaction kinetics described through a detailed multistep reaction mechanism. Realistic mesopore and macropore structures were reconstructed and combined to form specific bidisperse porous washcoat layers. The study shows that species effective diffusivities vary significantly but not in the same proportion for different structures. For structures featuring poor transport characteristics, the integral methane conversion and hydrogen selectivity are strongly affected while the reactor temperatures increase substantially. © 2017 American Institute of Chemical Engineers AIChE J, 64: 578–594, 2018
The effect of liquid bridge model details on the dynamics of wet fluidized beds
Authors: Wu Mingqiu , Khinast Johannes G. , Radl Stefan
Published: September 2017

Wet fluidized beds of particles in small periodic domains are simulated using the CFD‐DEM approach. A liquid bridge is formed upon particle‐particle collisions, which then ruptures when the particle separation exceeds a critical distance. The simulations take into account both surface tension and viscous forces due to the liquid bridge. We perform a series of simulations based on different liquid bridge formation models: (1) the static bridge model of Shi and McCarthy, (2) a simple static version of the model of Wu et al., as well as (3) the full dynamic bridge model of Wu et al. We systematically compare the differences caused by different liquid bridge formation models, as well as their sensitivity to system parameters. Finally, we provide recommendations for which systems a dynamic liquid bridge model must be used, and for which application this appears to be less important. © 2017 American Institute of Chemical Engineers AIChE J, 64: 437–456, 2018
Verification of Eulerian–Eulerian and Eulerian–Lagrangian simulations for turbulent fluid–particle flows
Authors: Patel Ravi G. , Desjardins Olivier , Kong Bo , Capecelatro Jesse , Fox Rodney O.
Published: September 2017

We present a verification study of three simulation techniques for fluid–particle flows, including an Euler–Lagrange approach (EL) inspired by Jackson's seminal work on fluidized particles, a quadrature–based moment method based on the anisotropic Gaussian closure (AG), and the traditional two‐fluid model. We perform simulations of two problems: particles in frozen homogeneous isotropic turbulence (HIT) and cluster‐induced turbulence (CIT). For verification, we evaluate various techniques for extracting statistics from EL and study the convergence properties of the three methods under grid refinement. The convergence is found to depend on the simulation method and on the problem, with CIT simulations posing fewer difficulties than HIT. Specifically, EL converges under refinement for both HIT and CIT, but statistics exhibit dependence on the postprocessing parameters. For CIT, AG produces similar results to EL. For HIT, converging both TFM and AG poses challenges. Overall, extracting converged, parameter‐independent Eulerian statistics remains a challenge for all methods. © 2017 American Institute of Chemical Engineers AIChE J, 63: 5396–5412, 2017
Gravitational discharge of fine dry powders with asperities from a conical hopper
Authors: Lu Hui , Zhong Jia , Cao Gui‐Ping , Liu Hai‐Feng
Published: September 2017

The effects of particle properties, especially the surface roughness and particle type, on the gravity discharge rate and flow behavior of fine dry powders from a conical hopper are studied in detail. The van der Waals force is considered to dominate the discharge of small particles, while the empty annulus effect dominates the discharge of large particles. To predict the van der Waals force between two rough spherical particles, a model based on Rumpf theory is adopted. The effect of surface roughness can be reflected by Bond number Bog which is correlated with discharge rate. By modifying the powder bed porosity and Beverloo constant, the discharge rates of fine dry powders can be well predicted by an empirical correlation. Finally, not only the ratio of hopper outlet size to particle size D0/dp but also the Bond number Bog is found to be an important indicator to determine the powder flowability. © 2017 American Institute of Chemical Engineers AIChE J, 64: 427–436, 2018
Multipotente Liganden mit kombinierter Cholinesterase‐ und Monoaminooxidase‐Inhibition sowie Histamin‐H3R‐Antagonismus bei neurodegenerativen Erkrankungen
Authors: Bautista‐Aguilera Óscar M. , Hagenow Stefanie , Palomino‐Antolin Alejandra , Farré‐Alins Víctor , Ismaili Lhassane , Joffrin Pierre‐Louis , Jimeno María L. , Soukup Ondřej , Janočková Jana , Kalinowsky Lena , Proschak Ewgenij , Iriepa Isabel , Moraleda Ignacio , Schwed Johannes S. , Romero Martínez Alejandro , López‐Muñoz Francisco , Chioua Mourad , Egea Javier , Ramsay Rona R. , Marco‐Contelles José , Stark Holger
Published: September 2017

Die Therapie von komplexen neurodegenerativen Erkrankungen erfordert eine Entwicklung von Multitarget‐orientierten Wirkstoffen. Durch strukturelle Optimierung des neuroprotektiven Liganden ASS234 mittels Integration etablierter Pharmakophore des Histamin‐H3‐Rezeptors (H3R) konnten neuartige Indolderivate mit inhibitorischer Aktivität an Acetylcholin‐/Butyrylcholinesterasen und Monoaminooxidasen A und B sowie am H3R erzielt werden. Diese zeigten ein ausbalanciertes Wirkprofil an den gewünschten Targets in zumeist nanomolaren Konzentrationsbereichen. Weiterführende In‐vitro‐Untersuchungen zeigten antioxidative und neuroprotektive Fähigkeiten sowie die Überwindung der Blut‐Hirn‐Schranke. Mit diesem vielversprechenden Wirkprofil zeigte Contilisant (bei 1 mg kg−1 i.p.) eine signifikante Verbesserung von Lipopolysaccharid‐induzierten kognitiven Defiziten.
Enantioselective Total Synthesis of (−)‐Deoxoapodine
Authors: Kang Taek , White Kolby L. , Mann Tyler J. , Hoveyda Amir H. , Movassaghi Mohammad
Published: September 2017

The first enantioselective total synthesis of (−)‐deoxoapodine is described. Our synthesis of this hexacyclic aspidosperma alkaloid includes an efficient molybdenum‐catalyzed enantioselective ring‐closing metathesis reaction for the desymmetrization of an advanced intermediate that introduces the C5‐quaternary stereocenter. After C21‐oxygenation, the pentacyclic core was accessed by electrophilic C19‐amide activation and transannular spirocyclization. A biogenetically inspired dehydrative C6‐etherification reaction proved highly effective to secure the F‐ring and the fourth contiguous stereocenter of (−)‐deoxoapodine with complete stereochemical control.
Design, Synthesis, and Pharmacological Screening of Pyridazinone Hybrids as Anticonvulsant Agents
Authors: Partap Sangh , Yar Mohammad Shahar , Hassan Md. Zaheen , Akhtar Md. Jawaid , Siddiqui Anees A.
Published: September 2017

A series of new hybrid benzimidazole containing pyridazinones derivatives were designed and synthesized in accordance with the pharmacophoric requirements essential for the anticonvulsant activity. The synthesized compounds were evaluated for anticonvulsant activity on mice by the gold standard maximal electroshock (MES) and subcutaneous pentylenetetrazole (scPTZ)‐induced seizure models. Among the compounds tested, SS‐4F showed significant anticonvulsant activity in both the screens with ED50 values of 25.10 and 85.33 mg/kg in the MES and scPTZ screens, respectively. Compound SS‐4F emerged as safer and effective anticonvulsant due to its several‐fold higher protective indices. Further, the gamma‐aminobutyric acid (GABA) estimation result showed a marked increase in the GABA level (1.7‐fold) as compared to the control, which was further confirmed by good binding properties with the GABAA receptor.
Controlled Synthesis of 3D Flower‐like Ni2P Composed of Mesoporous Nanoplates for Overall Water Splitting
Authors: Zheng Haiyan , Huang Xiubing , Wu Zhenyu , Gao Hongyi , Dong Wenjun , Wang Ge
Published: September 2017

Developing efficient non‐noble metal and earth‐abundant electrocatalysts with tunable microstructures for overall water splitting is critical to promote clean energy technologies for a hydrogen economy. Herein, novel three‐dimensional (3D) flower‐like Ni2P composed of mesoporous nanoplates with controllable morphology and high surface area was prepared by a hydrothermal method and low‐temperature phosphidation as efficient electrocatalysts for the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). Compared with the urchin‐like NixPy, the 3D flower‐like Ni2P with a diameter of 5 μm presented an efficient and stable catalytic performance in 0.5 m H2SO4, with a small Tafel slope of 79 mV dec−1 and an overpotential of about 240 mV at a current density of 10 mA cm−2 with a mass loading density of 0.283 mg cm−2. In addition, the catalyst also exhibited a remarkable performance for the OER in 1.0 m KOH electrolyte, with an overpotential of 320 mV to reach a current density of 10 mA cm−2 and a small Tafel slope of 72 mV dec−1. The excellent catalytic performance of the as‐prepared Ni2P may be ascribed to its novel 3D morphology with unique mesoporous structure.
Beispiel einer erschütterungsarmen Tiefgründung mit Fertigrammpfählen aus Stahlbeton
Authors: Vavrina Lars , Windeln Dirk
Published: September 2017

Sofern bei der Ausführung von Fertigrammpfählen aus Stahlbeton Hydraulikhämmer verwendet werden, ist der Einbau der Pfähle gemäß DIN 18304 „Ramm‐, Rüttel‐ und Pressarbeiten“ [1] als erschütterungsarm zu bezeichnen. Verfahrensbedingt sind Erschütterungen bei der Ausführung von Rammpfählen nie gänzlich auszuschließen, da durch die dynamische Einwirkung der Boden in Bewegung versetzt und verdrängt wird. Die impulsartige Verdrängung führt zu Erschütterungen, die sich im Boden bis zu benachbarten Bauwerksfundamenten fortpflanzen und übertragen können. Um eine Beeinträchtigung benachbarter Bauwerke zu vermeiden oder zu minimieren, erscheint es sinnvoll bereits in der Planung einer Gründungsmaßnahme die Erschütterungseinwirkungen zu prognostizieren. Zur Prognose von Erschütterungen infolge Schlagrammung bietet die Literatur rechnerische Ansätze, mit denen Boden‐ oder Fundamentschwinggeschwindigkeiten ermittelt werden können. Für die Bewertung gibt es Beurteilungskriterien nach DIN 4150 für Schwinggeschwindigkeiten bei denen Schäden ausgeschlossen werden können.

Das in diesem Beitrag vorgestellte Beispiel eines Bauvorhabens in der Stadt Essen in Nordrhein‐Westfalen veranschaulicht, dass die vor Ort aufgenommenen Messwerte im Vergleich mit den Beurteilungskriterien nach DIN 4150 [2, 3] auf der sicheren Seite liegen und die Schwinggeschwindigkeiten bei sachgerechter Ausführung in der Regel unkritisch für Bauwerke sind.
Cover Image, Volume 11, Issue 5
Authors: Fletcher Eugene , Adeboye Peter Temitope , Duedu Kwabena O.
Published: September 2017

The cover image, by Eugene Fletcher et al., is based on the On the Map Toward a sustainable bioeconomy in West Africa: A focus on biorefining, DOI: 10.1002/bbb.1793.

image
Fetal Bone Marrow‐Derived Mesenchymal Stem/Stromal Cells Enhance Humanization and Bone Formation of BMP7 Loaded Scaffolds
Authors: Shafiee Abbas , Baldwin Jeremy G. , Patel Jatin , Holzapfel Boris M. , Fisk Nicholas M. , Khosrotehrani Kiarash , Hutmacher Dietmar W.
Published: September 2017

Tissue engineered constructs built with human cells capable of generating a bone‐like organ within the mouse have attracted considerable interest over the past decade. Here, we aimed to compare the utility of human mesenchymal stem/stromal cells (MSC) isolated from fetal term placenta (fPL‐MSC) and fetal first trimester bone marrow (fBM‐MSC) in a polycaprolactone scaffold/BMP7‐based model in nude mice. Furthermore, fPL‐MSC were co‐seeded with fetal placenta‐derived endothelial colony forming cells (ECFC) to assess the impact of ECFC on fPL‐MSC osteogenesis. X‐ray radiography and micro computed tomography analyses showed enhanced bone formation in all BMP7 groups; however there was no difference after 2 months in bone formation between scaffolds seeded with fPL‐MSC alone or combination of ECFC and fPL‐MSC. Of interest, fBM‐MSC showed the highest level of bone formation. Additionally, endochondral ossification contributed in generation of bone in fBM‐MSC. Histological analysis showed the primary role of BMP in generation of cortical and trabecular bone, and the recruitment of hematopoietic cells to the scaffolds. Current in vivo engineered bone organs can potentially be used for drug screening or as models to study bone tissue development in combination with haematopoiesis.
Atrial septostomy with a predefined diameter using a novel occlutech atrial flow regulator improves symptoms and cardiac index in patients with severe pulmonary arterial hypertension
Authors: Rajeshkumar Ramasamy , Pavithran Sreeja , Sivakumar Kothandam , Vettukattil Joseph J.
Published: September 2017

Objectives

A novel Occlutech atrial flow regulator (AFR) implantation gives an atrial septal predefined predictable fenestration.

Background

Atrial septostomy relieves syncope in pulmonary arterial hypertension (PAH) by improving left heart filling, cardiac output and systemic oxygen transport despite hypoxia. Symptoms recur when small fenestrations close spontaneously.

Methods

AFR was implanted after informed consent in patients with severe PAH presenting with syncope and right heart failure. Symptoms, hemodynamics, echocardiographic parameters, brain natriuretic peptide (BNP) levels and device patency were serially documented.

Results

Twelve patients aged 28.3 ± 8.5 years with severe PAH underwent AFR implantation. All procedures were successful without any major complications. All patients had relief of syncope and 6‐min walk distance improved significantly from 377.3 ± 33.2 to 423 ± 31.32 m. The cardiac index (2.36 ± 0.52 to 2.89 ± 0.56 L/min/m2) and systemic oxygen transport (367.5 ± 75.5 to 428.0 ± 67.1 ml/min/m2) also showed a significant improvement. Inferior caval vein congestion and pericardial effusion reduced due to improvement in heart failure, but other echocardiographic parameters of right ventricular function did not show significant change. The reduction in BNP levels too did not reach statistical significance. The device was patent in all patients at a median follow‐up of 189 days (range 10–296 days) resulting in a significant reduction of oxygen saturations from 98 ± 0.18 to 85.26 ± 2.86% after exercise.

Conclusions

AFR implantation was feasible and safe in all patients with PAH. There was a significant improvement of symptoms, six‐minute walk distance, cardiac index and systemic oxygen transport. The device maintained patency in short‐term follow‐up and the resultant hypoxia was tolerated well.
Minimizing exposure to radiation in invasive cardiology using modern dose‐reduction technology: Evaluation of the real‐life effects
Authors: Faroux Laurent , Blanpain Thierry , Nazeyrollas Pierre , Tassan‐Mangina Sophie , Herce Benoît , Tourneux Christophe , Metz Damien
Published: September 2017

Objectives

We aimed to measure the reduction in the estimated dose of radiation received by patients that can be achieved using dose‐reduction technology (ClarityIQ, Philips Healthcare, The Netherlands), among all patients undergoing invasive cardiology procedures.

Background

Medical procedures remain the primary source of exposure to ionizing radiation in the general population.

Methods

The study population comprised all patients (without exclusion criteria) undergoing invasive coronary procedures over a 1‐year study period in a large referral centre equipped with two catheterization laboratories (cathlabs). Both cathlabs (A and B) were equipped with the Allura Xper FD10 imaging system (Philips Healthcare, The Netherlands), but only Cathlab B was equipped with ClarityIQ technology. The primary endpoint was the estimated total dose of radiation received by the patient, as assessed by Air Kerma (AK) and dose area product (DAP).

Results

In total, 2095 invasive coronary procedures were analyzed. The patients who underwent procedures in Cathlab B received an average estimated dose that was 23% (AK) and 43% (DAP) lower than the dose received by patients undergoing procedures in Cathlab A (P < .0001). The reduction remained significant by multivariate analysis after adjustment for total X‐ray time, body mass index, arterial approach, PCI of at least one lesion, sex, and patient age.

Conclusion

In our study, the ClarityIQ technology reduced the estimated radiation dose received by patients by 23‐43%, according to the method of measurement.
Analysis of IN.PACT DEEP trial on the association between changes in perfusion from pre‐ to postrevascularization and clinical outcomes in critical limb ischemia
Authors: Hammad Tarek A. , Zeller Thomas , Baumgartner Iris , Scheinert Dierk , Rocha‐Singh Krishna J. , Shishehbor Mehdi H.
Published: September 2017

Objectives

To quantify changes in ankle and toe pressure from pre‐ to post‐endovascular revascularization for critical limb ischemia (CLI) and examine their association with major adverse limb events (MALE).

Background

Despite societal guidelines recommendation of routine hemodynamic surveillance following revascularization, little is known about hemodynamic assessment in CLI.

Methods

Among the 358 patients with CLI from the international multicenter IN.PACT DEEP trial, ankle and toe pressures measurements were available at both baseline and after intervention in 270 and 44 patients, respectively. The change in ankle and toe pressures in response to endovascular revascularization and its association with 1‐year MALE (target limb revascularization, amputation, or death) were examined using Kaplan–Meier curves and multivariable Cox proportional hazard analyses. Corresponding optimal cutoff points were also identified.

Results

The mean increase in ankle and toe pressures following revascularization was 33 and 13 mmHg, respectively. Patients with an improvement of ankle pressure >73 mmHg or toe pressure >1 mmHg had similarly the lowest incidence of MALE (23%), while the highest rate of MALE (50%) was found in those whose toe pressure failed to improve by at least 1 mmHg following intervention. In addition, an increase in ankle pressure >73 mmHg was numerically protective against MALE, and more importantly, an increase in toe pressure of >1 mmHg provided statistically significant protection from MALE (adjusted HR = 0.15, 95% CI: 0.04–0.57, P = 0.005).

Conclusions

Improvements in toe pressure post revascularization are incremental and rarely normalize. Toe pressure, compared to ankle pressure, is more useful in CLI and predicts future MALE.
Recent Advances in Conjugated Furans
Authors: Cao Hongda , Rupar Paul A.
Published: September 2017

Thiophene is one of the most ubiquitous moieties in organic conjugated materials; however, furan, its oxygen congener, and furan derivatives have received comparatively less attention. This is primarily due to the intrinsic instability of furan and its tendency to decompose in the presence of oxygen and light. Incorporating furan into conjugated systems can confer many benefits, including increases in conjugation, improved solubility, and better transport properties. In this Concept Article, advances in furan‐containing conjugated materials are presented. The impact of furan on the properties of conjugated materials is discussed, recent advances in synthetic methods are overviewed, and strategies for improving the stability of conjugated furans are detailed.
Bio‐Inspired Synthesis of an Ordered N/P Dual‐Doped Porous Carbon and Application as an Anode for Sodium‐Ion Batteries
Authors: Qiao Yun , Han Ruimin , Liu Yang , Ma Mengyue , Cheng Xiaoguang , Li Qingling , Yue Hongyun , Cao Zhaoxia , Zhang Huishuang , Yang Shuting
Published: September 2017

Carbonaceous materials are one of the most promising anode materials for sodium‐ion batteries, because of their abundance, stability, and safe usage. However, the practical application of carbon materials is hindered by poor specific capacity and low initial Coulombic efficiency. The design of porous structure and doping with heteroatoms are two simple and effective methods to promote the sodium storage performance. Herein, the N, P co‐doped porous carbon materials are fabricated using renewable and biodegradable gelatin as carbon and nitrogen resource, phosphoric acid as phosphorus precursor and polystyrene nanospheres as a template. The product can deliver a reversible capacity of 230 mA h g−1 at a current density of 0.2 A g−1, and even a high capacity of 113 mA h g−1 at 10 Ag−1. The enhanced sodium storage performance is attributed to the synergistic effect of the porosity and the dual‐doping of nitrogen and phosphorus.
Bis(aryl) Tetrasulfides as Cathode Materials for Rechargeable Lithium Batteries
Authors: Guo Wei , Wawrzyniakowski Zachary D. , Cerda Matthew M. , Bhargav Amruth , Pluth Michael D. , Ma Ying , Fu Yongzhu
Published: September 2017

An organotetrasulfide consists of a linear chain of four sulfur atoms that could accept up to 6 e− in reduction reactions, thus providing a promising high‐capacity electrode material. Herein, we study three bis(aryl) tetrasulfides as cathode materials in lithium batteries. Each tetrasulfide exhibits two major voltage regions in the discharge. The high voltage slope region is governed by the formation of persulfides and thiolates, and the low voltage plateau region is due to the formation of Li2S2/Li2S. Based on theoretical calculations and spectroscopic analysis, three reduction reaction processes are revealed, and the discharge products are identified. Lithium half cells with tetrasulfide catholytes deliver high specific capacities over 200 cycles. The effects of the functional groups on the electrochemical characteristics of tetrasulfides are investigated, which provides guidance for developing optimum aryl polysulfides as cathode materials for high energy lithium batteries.
Atmosphere‐Controlled Chemoselectivity: Rhodium‐Catalyzed Alkylation and Olefination of Alkylnitriles with Alcohols
Authors: Li Junjun , Liu Yuxuan , Tang Weijun , Xue Dong , Li Chaoqun , Xiao Jianliang , Wang Chao
Published: September 2017

The chemoselective alkylation and olefination of alkylnitriles with alcohols have been developed by simply controlling the reaction atmosphere. A binuclear rhodium complex catalyzes the alkylation reaction under argon through a hydrogen‐borrowing pathway and the olefination reaction under oxygen through aerobic dehydrogenation. Broad substrate scope is demonstrated, permitting the synthesis of some important organic building blocks. Mechanistic studies suggest that the alkylation product may be formed through conjugate reduction of an alkene intermediate by a rhodium hydride, whereas the formation of olefin product may be due to the oxidation of the rhodium hydride complex with molecular oxygen.
Visible‐light Homogeneous Photocatalytic Conversion of CO2 into CO in Aqueous Solutions with an Iron Catalyst
Authors: Rao Heng , Bonin Julien , Robert Marc
Published: September 2017

An iron‐substituted tetraphenyl porphyrin bearing positively charged trimethylammonio groups at the para position of each phenyl ring catalyzes the photoinduced conversion of CO2. This complex is water soluble and acts as a molecular catalyst to selectively reduce CO2 into CO under visible‐light irradiation in aqueous solutions (acetonitrile/water=1:9 v/v) with the assistance of purpurin, a simple organic photosensitizer. CO is produced with a catalytic selectivity of 95 % and turnover number up to 120, illustrating the possibility of photocatalyzing the reduction of CO2 in aqueous solution by using visible light, a simple organic sensitizer coupled to an amine as a sacrificial electron donor, and an earth‐abundant metal‐based molecular catalyst.
Fine‐needle aspiration biopsy of lytic bone lesions: An institution's experience
Authors: Shergill Uday , Vitkovski Taisia , Stoffels Guillaume , Klein Melissa , Gimenez Cecilia , Laser Alice , Cocker Rubina , Chau Karen , Das Kasturi
Published: September 2017

Objectives

Fine needle aspiration (FNAB) is an effective, minimally‐invasive, inexpensive, diagnostic technique. The objective of this study was to evaluate the accuracy of FNAB in the diagnosis of bone lesions.

Methods

FNABs of bone lesions diagnosed at our institution over a 2‐year period were retrospectively analyzed.

Results

241 samples were reviewed. Patients included 121 males and 120 females, with ages ranging from 4‐95 years (mean = 66 years). Of these 241 cases, 43.2% had FNAB and 56.8% had FNAB with core needle biopsy (CNB). The cytologic diagnoses were categorized as nondiagnostic, benign, atypical, suspicious, and positive for malignant cells. Total of 84.3% of FNABs were diagnostic. Of the malignant cases, 78.5% were metastases from nonosseous primary sites, 17.1% were lymphoproliferative lesions, and 4.4% were primary bone tumors. The most common site of metastasis was the pelvic bones (43.5%) followed by the vertebral column (38.7%). Breast (21%), lung (12.7%), and prostate (11.3%) were the most common identifiable primary site in metastatic cases. FNA smears and cell blocks allowed identification of metastatic lesions in 94.3% cases with immunohistochemistry (IHC). Obtaining a concomitant CNB did not result in a statistically significant increase in overall diagnostic yields (P = .20), ascertaining presence of metastatic lesion (P = .96) or ability to identify site of primary tumor in cases of metastasis (P = .53) compared to FNAB alone. Diagnostic accuracy was improved by reviewing clinical history, performing cell block, and IHC.

Conclusions

FNAB is a reliable tool for diagnosis of bone lesions with comparable diagnostic sensitivity to CNB.
Age effects in eating disorder baseline risk factors and prevention intervention effects
Authors: Rohde Paul , Stice Eric , Shaw Heather , Gau Jeff M. , Ohls Olivia C.
Published: September 2017

Objective

Examine the impact of age on baseline eating disorder symptoms/risk factors and on the effects of completing three variants of an eating disorder prevention program.

Method

Six hundred and eighty women (60% White) were randomized to clinician‐led Body Project groups, peer‐led Body Project groups, an Internet‐based version of the Body Project (eBodyProject), or educational video control condition. Participants, who were on average 22.2 years old (SD = 7.1, range 17–64, median = 19), were assessed at pretest, posttest, and 6‐month follow‐up.

Results

Two of the seven baseline variables were significantly associated with age, indicating that older age was associated with lower reported dieting (r = −.12) and better psychosocial functioning (r = −.13). Interactions indicated that age moderated the intervention effects, such that group‐based programs were superior to the Internet‐delivered version in terms of eating disorder symptom reductions for women up to age 20, whereas the Internet‐delivered program was superior to group‐based interventions, particularly in terms of BMI reduction, for women over approximately age 25. None of the four tests examining whether age moderated the effects of delivering Body Project groups by mental health clinicians versus undergraduate peer educators were significant.

Discussion

Results suggest that group‐based versions of the Body Project should be implemented with young women up to the age of 20, as they produce larger eating disorder symptom reductions, whereas the Internet version of the Body Project should be implemented with women aged 25 or older, as it produces superior weight loss/gain prevention effects.
Prediction of biodiversity hotspots in the Anthropocene: The case of veteran oaks
Authors: Skarpaas Olav , Blumentrath Stefan , Evju Marianne , Sverdrup‐Thygeson Anne
Published: September 2017

Over the past centuries, humans have transformed large parts of the biosphere, and there is a growing need to understand and predict the distribution of biodiversity hotspots influenced by the presence of humans. Our basic hypothesis is that human influence in the Anthropocene is ubiquitous, and we predict that biodiversity hot spot modeling can be improved by addressing three challenges raised by the increasing ecological influence of humans: (i) anthropogenically modified responses to individual ecological factors, (ii) fundamentally different processes and predictors in landscape types shaped by different land use histories and (iii) a multitude and complexity of natural and anthropogenic processes that may require many predictors and even multiple models in different landscape types. We modeled the occurrence of veteran oaks in Norway, and found, in accordance with our basic hypothesis and predictions, that humans influence the distribution of veteran oaks throughout its range, but in different ways in forests and open landscapes. In forests, geographical and topographic variables related to the oak niche are still important, but the occurrence of veteran oaks is shifted toward steeper slopes, where logging is difficult. In open landscapes, land cover variables are more important, and veteran oaks are more common toward the north than expected from the fundamental oak niche. In both landscape types, multiple predictor variables representing ecological and human‐influenced processes were needed to build a good model, and several models performed almost equally well. Models accounting for the different anthropogenic influences on landscape structure and processes consistently performed better than models based exclusively on natural biogeographical and ecological predictors. Thus, our results for veteran oaks clearly illustrate the challenges to distribution modeling raised by the ubiquitous influence of humans, even in a moderately populated region, but also show that predictions can be improved by explicitly addressing these anthropogenic complexities.
Synthesis of an ortho‐Methyl‐N,N′‐bis(triptycenyl) N‐Heterocyclic Carbene Ligand and Its Metal Complexes
Authors: Bergmann Marvin , Savka Roman , Foro Sabine , Plenio Herbert
Published: September 2017

A new N,N′‐bis(triptycenyl)‐NHC ligand with methyl groups in the ortho position has been synthesized starting from 2,3‐dimethyltriptycene‐1,4‐quinone. The respective metal complexes [ML(NHC)] [ML = CuBr, AuCl, PdCl(allyl), RhCl(cod), IrCl(cod), RhCl(CO)2, IrCl(CO)2, and RuCl2(=CHC6H4OiPr)] were obtained by standard procedures. All the complexes were initially mixtures of syn and anti isomers. The ruthenium complex was separated into the syn and anti isomers. The crystal structure of the anti complex [RhCl(cod)(8)] has been determined.
Kinetic and Mechanistic Studies on the Reaction between Aquacobalamin and Selenocysteine
Authors: Dereven'kov Ilia A. , Polyakova Anastasiya Yu. , Makarov Sergei V.
Published: September 2017

We studied the reaction between aquacobalamin (H2OCbl) and selenocysteine (Sec), a selenium‐containing analogue of cysteine, using conventional UV/Vis spectroscopy. This reaction leads to the formation of cob(II)alamin [Cbl(II)] without any detectable intermediate complexation of Cbl(III) with selenocysteine, whereas the interaction between H2OCbl and cysteine proceeds distinctly through the coordination of Cys onto the CoIII ion with further reduction of the CoIII–Cys complex to Cbl(II). The latter is slower than the reaction with Sec. We also showed that selenocystine is capable of accelerating the reduction of H2OCbl to Cbl(II) by cysteine.
Hexafluoro‐2‐propanol Promotes para‐Selective C–H Amination of Free Anilines with Azodicarboxylates
Authors: Tang Ren‐Jin , Milcent Thierry , Crousse Benoit
Published: September 2017

An effective, mild, and clean method for the C–H amination of free anilines with azodicarboxylates in 1,1,1,3,3,3‐hexafluoro‐2‐propanol (HFIP) without the need for any additional catalysts or reagents was developed. The reaction was found to be highly regioselective and provided a series of p‐aminophenylhydrazine derivatives in excellent yields. Moreover, compatibility with a free amino group makes this protocol an attractive strategy in synthetic chemistry.
Extended specificity studies of mRNA assays used to infer human organ tissues and body fluids
Authors: van den Berge Margreet , Sijen Titia
Published: September 2017

Messenger RNA (mRNA) profiling is a technique increasingly applied for the forensic identification of body fluids and skin. More recently, an mRNA‐based organ typing assay was developed which allows for the inference of brain, lung, liver, skeletal muscle, heart, kidney, and skin tissue. When applying this organ typing system in forensic casework for the presence of animal, rather than human, tissue is an alternative scenario to be proposed, for instance that bullets carry cell material from a hunting event. Even though mRNA profiling systems are commonly in silico designed to be primate specific, physical testing against other animal species is generally limited. In this study, human specificity of the organ tissue inferring system was assessed against organ tissue RNAs of various animals. Results confirm human specificity of the system, especially when utilizing interpretation rules considering multiple markers per cell type. Besides, we cross‐tested our organ and body fluid mRNA assays against the target types covered by the other assay. Marker expression in the nontarget organ tissues and body fluids was observed to a limited extent, which emphasizes the importance of involving the case‐specific context of the forensic samples in deciding which mRNA profiling assay to use and when for interpreting results.
Health survey and assessment of the polymorphisms BRCA1/P871L, BRCA1/Q356R, and BRCA2/N372H in female gas station workers in Rio de Janeiro
Authors: Silvestre Rafaele T. , Delmonico Lucas , Bravo Maryah , Santiago Fábio , Scherrer Luciano R. , Moreira Aline dos Santos , Tabalipa Marianne , Otero Ubirani , Ornellas Maria Helena F. , Alves Gilda
Published: September 2017

Gas station workers are exposed to chemicals known to be carcinogenic, especially benzene. The objective was to analyze the health problems of female gas station workers by means of sociodemographic and clinical questionnaires, and laboratorial exams. We performed the genotyping of the polymorphisms BRCA1/P871L and BRCA1/Q356R by Polymerase Chain Reaction‐Restriction Fragment Length Polymorphism, and of variant allele BRCA2/N372H through direct sequencing. The female workers showed a higher concentration of monocytes (P = 0.039); a greater number of spontaneous abortions (P = 0.025, OR = 4.977, 95% CI = 1.135–30.669); higher tobacco consumption (P = 0.013); and higher alcohol consumption (P = 0.05). The statistical analysis of the polymorphisms associated with the variables monocyte concentration and miscarriage number did not reveal a significant relationship, and smoking and spontaneous abortion were not statistically associated either. Environ. Mol. Mutagen. 58:730–734, 2017. © 2017 Wiley Periodicals, Inc.
Time‐ and concentration‐dependent genomic responses of the rat airway to inhaled nickel sulfate
Authors: Efremenko A. Y. , Campbell J. L. , Dodd D. E. , Oller A. R. , Clewell H. J.
Published: September 2017

While insoluble nickel subsulfide (Ni3S2) was carcinogenic in the lung in a 2‐year rat bioassay, soluble nickel sulfate hexahydrate (NiSO4*6H2O) was not. To investigate whether differences in the cellular responses to these two nickel compounds could underlie their differential activities, we conducted parallel studies to determine the gene expression changes in micro‐dissected lung distal airway cells from Fischer 344 rats following inhalation of the two compounds for one and four weeks (6 hr per day, 5 days per week). The results of the Ni3S2 study have been reported previously; this paper reports the results for NiSO4 and provides a comparative analysis. The cellular responses to NiSO4 were highly similar to those previously reported for Ni3S2, and a set of genes was identified whose expression could be used as biomarkers for comparing cellular nickel effects from in vitro or in vivo studies with soluble NiSO4 and particulate Ni3S2. Evaluation of the genomic concentration‐responses for the two compounds suggests that the highest inhaled concentration in the tumor bioassay for NiSO4, which was limited by toxicity, may not have achieved the Ni concentrations at which tumors were observed in the Ni3S2 bioassay. However, several key differences in the immune responses to NiSO4 and Ni3S2 were identified that may result from the differential intracellular disposition of Ni from NiSO4 entering the cell as an ion rather than as a slowly soluble Ni3S2 particle. These differences may also contribute to the observation of tumors in the bioassay for Ni3S2 but not NiSO4. Environ. Mol. Mutagen. 58:607–618, 2017. © 2017 The Authors Environmental and Molecular Mutagenesis published by Wiley Periodicals, Inc. on behalf of Environmental Mutagen Society
Aquatic exposures of chemical mixtures in urban environments: Approaches to impact assessment
Authors: de Zwart Dick , Adams William , Galay Burgos Malyka , Hollender Juliane , Junghans Marion , Merrington Graham , Muir Derek , Parkerton Thomas , De Schamphelaere Karel A.C. , Whale Graham , Williams Richard
Published: September 2017

Urban regions of the world are expanding rapidly, placing additional stress on water resources. Urban water bodies serve many purposes, from washing and sources of drinking water to transport and conduits for storm drainage and effluent discharge. These water bodies receive chemical emissions arising from either single or multiple point sources, diffuse sources which can be continuous, intermittent, or seasonal. Thus, aquatic organisms in these water bodies are exposed to temporally and compositionally variable mixtures. We have delineated source-specific signatures of these mixtures for diffuse urban runoff and urban point source exposure scenarios to support risk assessment and management of these mixtures. The first step in a tiered approach to assessing chemical exposure has been developed based on the event mean concentration concept, with chemical concentrations in runoff defined by volumes of water leaving each surface and the chemical exposure mixture profiles for different urban scenarios. Although generalizations can be made about the chemical composition of urban sources and event mean exposure predictions for initial prioritization, such modeling needs to be complemented with biological monitoring data. It is highly unlikely that the current paradigm of routine regulatory chemical monitoring alone will provide a realistic appraisal of urban aquatic chemical mixture exposures. Future consideration is also needed of the role of nonchemical stressors in such highly modified urban water bodies. Environ Toxicol Chem 2018;37:703–714. © 2017 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals, Inc. on behalf of SETAC.