bluuebunny/crossref_metadata_2025_split huggingface dataset:
Hybrid cell‐centred/vertex model for multicellular systems with equilibrium‐preserving remodelling
Authors: Mosaffa Payman , Rodríguez‐Ferran Antonio , Muñoz José J. 
Published: September 2017

AbstractWe present a hybrid cell‐centred/vertex model for mechanically simulating planar cellular monolayers undergoing cell reorganisation. Cell centres are represented by a triangular nodal network, while the cell boundaries are formed by an associated vertex network. The two networks are coupled through a kinematic constraint which we allow to relax progressively. Special attention is paid to the change of cell‐cell connectivity due to cell reorganisation or remodelling events. We handle these situations by using a variable resting length and applying an Equilibrium‐Preserving Mapping on the new connectivity, which computes a new set of resting lengths that preserve nodal and vertex equilibrium. We illustrate the properties of the model by simulating monolayers subjected to imposed extension and during a wound healing process. The evolution of forces and the Equilibrium‐Preserving Mapping are analysed during the remodelling events. As a by‐product, the proposed technique enables to recover fully vertex or fully cell‐centred models in a seamless manner by modifying a numerical parameter of the model.
Catalysis and CO2 Capture by Palladium‐Incorporated Covalent Organic Frameworks
Authors: Kaleeswaran Dhananjayan , Antony Rajendran , Sharma Abhishek , Malani Ateeque , Murugavel Ramaswamy 
Published: September 2017

AbstractTriazine‐based imine and β‐ketoenamine linked covalent organic frameworks (COFs), TAT‐DHBD (1) and TAT‐TFP (2), have been synthesized from 1,3,5‐tris‐(4′‐aminophenyl)triazine (TAT) and 2,5‐dihydroxybenzene‐1,4‐dicarboxaldehyde (DHBD) or 1,3,5‐triformylphloroglucinol (TFP) under solvothermal conditions in dioxane/mesitylene mixture. These COFs exhibit significant surface areas owing to their meso‐ and micropores. The presence of basic nitrogen sites offers excellent affinity towards Pd nanoparticles and carbon dioxide. Post treatment of COFs 1 and 2 with palladium acetate gives PdII/TAT‐DHBD (3) and PdII/TAT‐TFP (4), which on reduction by NaBH4 yields Pd0/TAT‐DHBD (5) and Pd0/TAT‐TFP (6), respectively. The new COFs have been characterized by FTIR, solid‐state 13C NMR spectroscopy, X‐ray photoelectron spectroscopy (XPS), SEM, TEM, and Brunauer–Emmett–Teller (BET) surface area measurements. TEM studies corroborated the uniform distribution of PdII and Pd0 sites in the COFs. Compounds 3–6 are active towards the Suzuki–Miyaura cross‐coupling of arenes with meager catalyst leaching even after five cycles. In addition, 4 exhibits CO2 uptake of 11 wt % and 7.5 wt % at 273 and 298 K, respectively, at 1 bar.
Single‐Atom Catalysts of Precious Metals for Electrochemical Reactions
Authors: Kim Jiwhan , Kim Hee‐Eun , Lee Hyunjoo 
Published: September 2017

AbstractSingle‐atom catalysts (SACs), in which metal atoms are dispersed on the support without forming nanoparticles, have been used for various heterogeneous reactions and most recently for electrochemical reactions. In this Minireview, recent examples of single‐atom electrocatalysts used for the oxygen reduction reaction (ORR), hydrogen oxidation reaction (HOR), hydrogen evolution reaction (HER), formic acid oxidation reaction (FAOR), and methanol oxidation reaction (MOR) are introduced. Many density functional theory (DFT) simulations have predicted that SACs may be effective for CO2 reduction to methane or methanol production while suppressing H2 evolution, and those cases are introduced here as well. Single atoms, mainly Pt single atoms, have been deposited on TiN or TiC nanoparticles, defective graphene nanosheets, N‐doped covalent triazine frameworks, graphitic carbon nitride, S‐doped zeolite‐templated carbon, and Sb‐doped SnO2 surfaces. Scanning transmission electron microscopy, extended X‐ray absorption fine structure measurement, and in situ infrared spectroscopy have been used to detect the single‐atom structure and confirm the absence of nanoparticles. SACs have shown high mass activity, minimizing the use of precious metal, and unique selectivity distinct from nanoparticle catalysts owing to the absence of ensemble sites. Additional features that SACs should possess for effective electrochemical applications were also suggested.
Using digital soil maps to infer edaphic affinities of plant species in Amazonia: Problems and prospects
Authors: Moulatlet Gabriel Massaine , Zuquim Gabriela , Figueiredo Fernando Oliveira Gouvêa , Lehtonen Samuli , Emilio Thaise , Ruokolainen Kalle , Tuomisto Hanna 
Published: September 2017

AbstractAmazonia combines semi‐continental size with difficult access, so both current ranges of species and their ability to cope with environmental change have to be inferred from sparse field data. Although efficient techniques for modeling species distributions on the basis of a small number of species occurrences exist, their success depends on the availability of relevant environmental data layers. Soil data are important in this context, because soil properties have been found to determine plant occurrence patterns in Amazonian lowlands at all spatial scales. Here we evaluate the potential for this purpose of three digital soil maps that are freely available online: SOTERLAC, HWSD, and SoilGrids. We first tested how well they reflect local soil cation concentration as documented with 1,500 widely distributed soil samples. We found that measured soil cation concentration differed by up to two orders of magnitude between sites mapped into the same soil class. The best map‐based predictor of local soil cation concentration was obtained with a regression model combining soil classes from HWSD with cation exchange capacity (CEC) from SoilGrids. Next, we evaluated to what degree the known edaphic affinities of thirteen plant species (as documented with field data from 1,200 of the soil sample sites) can be inferred from the soil maps. The species segregated clearly along the soil cation concentration gradient in the field, but only partially along the model‐estimated cation concentration gradient, and hardly at all along the mapped CEC gradient. The main problems reducing the predictive ability of the soil maps were insufficient spatial resolution and/or georeferencing errors combined with thematic inaccuracy and absence of the most relevant edaphic variables. Addressing these problems would provide better models of the edaphic environment for ecological studies in Amazonia.
Guanine/Ionic Liquid Derived Ordered Mesoporous Carbon Decorated with AuNPs as Efficient NADH Biosensor and Suitable Platform for Enzymes Immobilization and Biofuel Cell Design
Authors: Korani Aazam , Salimi Abdollah , Karimi Babak 
Published: September 2017

AbstractGuanine‐ionic liquid derived ordered mesoporous carbon (GIOMC) decorated with gold nanoparticles was used as electrocatalyste for NADH oxidation and electrochemical platform for immobilization of glucose dehydrogenase (GDH) enzyme. The resulting GIOMC/AuNPs on the glassy carbon electrode can be used as novel redox‐mediator free for NADH sensing and this integrated system (GIOMC/AuNPs/GDH) shows excellent electrocatalytic activity toward glucose oxidation. Furthermore, the ionic liquid derived ordered mesoporous carbon derivate with Ph‐SO3H (IOMC‐PhSO3H) decorated with AuNPs has been developed to bilirubin oxidase enzyme (BOD) immobilization and the GC/IOMC‐PhSO3H/BOD integrated system shows excellent bioelectrocatalytic activity toward oxygen reduction reaction. The proposed mesostructured platforms decorated by AuNPs have been developed to enhance mass transfer and charge transfer from biocatalyst to electrode, leading these bioanode and biocathode used for biofuel cell assembly. Integration designed bioanode and biocathode yielding a membrane‐less glucose/O2 biofuel cell with power density of 33 (mW.cm−2) at 257 mV. The open circuit voltage of this biofuel cell and maximum produced current density were 508 mV and 0.252 (mA.cm−2) respectively.
CO2 absorption characteristics in a random packed column with various geometric structures and working conditions
Authors: Liu Yifang , Chu Fengming , Yang Lijun , Du Xiaoze , Yang Yongping 
Published: September 2017

AbstractCO2 emissions have been continuously increasing in recent years and exacerbating global warming, so CO2 emissions mitigation is of great benefit to the control of climate change. In this work, the computational models of CO2 absorption by aqueous ammonia solution in a random packed column are developed, where the packing porosity obeys the normal, empirical profile, piecewise constant distributions. The hydrodynamic and mass transfer performances, as well as the CO2 removal efficiency, are obtained by means of numerical simulation. The results show that the random packing with porosity following the normal distribution leads to a better mass transfer performance, thus a high CO2 removal efficiency. The height‐to‐diameter ratio of 3 is preferred due to the better CO2 absorption performance. More ammonia solution can form a bigger interfacial area, and thus enhance mass transfer performance. However, the increased CO2 flow rate is unfavorable to the CO2 absorption. © 2017 Society of Chemical Industry and John Wiley & Sons, Ltd.
Low salinity‐induced alterations in epithelial ultrastructure, Na+/K+‐ATPase immunolocalization and enzyme kinetic characteristics in the gills of the thinstripe hermit crab, Clibanarius vittatus (Anomura, Diogenidae)
Authors: Antunes Claudia Doi , Lucena Malson Neilson , Garçon Daniela Pereira , Leone Francisco Assis , McNamara John Campbell 
Published: September 2017

AbstractFresh caught Clibanarius vittatus [SW, 31‰ salinity (S)] were acclimated to a dilute medium (15‰ S) for 10 days, employing silver staining to locate gill ion transporting tissue, immunofluorescence to localize the Na+/K+‐ATPase α‐subunit in the lamellae, and electron microscopy to portray ultrastructural changes in the gill epithelia. Na+/K+‐ATPase activity was characterized kinetically in a gill microsomal fraction, including synergistic stimulation by NH4+ plus K+. Silver staining revealed that all 26 phyllobranchiate arthro‐ and pleurobranchiae participate in ion transport. Na+/K+‐ATPase α‐subunit staining was weak in SW crabs and distributed exclusively and irregularly within the intralamellar septal cells, particularly at the septal‐pillar cell body junctions, and septal cell cytoplasm facing the hemolymph space. In 15‰ S crabs, α‐subunit localization was intense, occupying the entire thickened septum. Pillar cells and flanges did not stain. Mitochondria and membrane foldings increased in the pillar cell flanges and intralamellar septal cells, greatly amplifying surface area. Only a single ATP binding site (VM = 130.8 ± 10.5 nmol min−1 mg protein−1; K0.5 = 55.3 ± 1.7 μmol l−1) obeying Michaelis–Menten kinetics was disclosed. Na+/K+‐ATPase activity was modulated by Mg2+, Na+, and NH4+, exhibiting site–site interactions; K+ modulation showed Michaelis–Menten kinetics. K+ plus NH4+ synergistically stimulated activity ≈ 1.7‐fold. Ouabain inhibited total ATPase activity by ≈ 70% (KI = 220–300 μmol l−1), revealing phosphohydrolytic activities other than the Na+/K+‐ATPase. Despite ample phylogenetic separation, the phyllobranchiate lamellae of the Anomura and Caridea share many ultrastructural features, that is, an intralamellar septum and opposed abutting pillar cells, similar Na+/K+‐ATPase distribution, and comparable kinetic characteristics. These findings suggest either convergent evolution at the structural and biochemical levels, or preservation of traits present in a remote common ancestor.
Neutral glenoid alignment in reverse shoulder arthroplasty does not guarantee decreased risk of impingement
Authors: Berhouet Julien , Gulotta Lawrence , Chen Xiang , Dines David , Warren Russel , Kontaxis Andreas 
Published: September 2017

ABSTRACTReverse Shoulder Arthroplasty (RSA) has gained popularity over the recent years, but impingement concerns are still present. Surgeons aim to correct pre‐operative glenoid deformities to reduce impingement but it can be challenging without assistance like patient specific guides. However, it is unclear how accurate glenoid correction affects the impingement. The main objective of this study was to determine whether accurate glenoid correction to neutral version and tilt can reduce the risk of impingement. Two types of virtual surgeries were performed on 22 pre‐operative arthritic shoulders: (i) “Interactive,” the glenoid baseplate could be placed with accuracy, and (ii) “Blind,” surgeons placed the RSA baseplate while they could only visualize the glenoid. The virtual models were then used in an RSA biomechanical model which recorded impingement for (i) four Range of Motion (ROM) tasks, (ii) ten Activities of Daily Living (ADL). The “Blind” method resulted in more variable glenoid placement (version and tilt) than the “Interactive” method (p = 0.001). However, both methods showed similar ROM and impingement occurrence in ADLs. The results suggest it is challenging for surgeons to accurately correct version and tilt on arthritic glenoids when only referencing off of the face of the glenoid. However, the variable glenosphere placement observed in the “Blind” method did not result in worse impingement compared to the accurate “Interactive” method. This was because both methods had similar inferior baseplate positioning which is more important than correcting version or tilt. Implantation accuracy remains important in RSA, but pre‐operative planning should not just target at correcting version and tilt. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 36:1213–1219, 2018.
Collagen XI mutation lowers susceptibility to load‐induced cartilage damage in mice
Authors: Holyoak Derek T. , Otero Miguel , Armar Naa Shidaa , Ziemian Sophia N. , Otto Ariana , Cullinane Devinne , Wright Timothy M. , Goldring Steven R. , Goldring Mary B. , van der Meulen Marjolein C. H. 
Published: September 2017

ABSTRACTInteractions among risk factors for osteoarthritis (OA) are not well understood. We investigated the combined impact of two prevalent risk factors: mechanical loading and genetically abnormal cartilage tissue properties. We used cyclic tibial compression to simulate mechanical loading in the cho/+ (Col11a1 haploinsufficient) mouse, which has abnormal collagen fibrils in cartilage due to a point mutation in the Col11a1 gene. We hypothesized that the mutant collagen would not alter phenotypic bone properties and that cho/+ mice, which develop early onset OA, would develop enhanced load‐induced cartilage damage compared to their littermates. To test our hypotheses, we applied cyclic compression to the left tibiae of 6‐month‐old cho/+ male mice and wild‐type (WT) littermates for 1, 2, and 6 weeks at moderate (4.5 N) and high (9.0 N) peak load magnitudes. We then characterized load‐induced cartilage and bone changes by histology, microcomputed tomography, and immunohistochemistry. Prior to loading, cho/+ mice had less dense, thinner cortical bone compared to WT littermates. In addition, in loaded and non‐loaded limbs, cho/+ mice had thicker cartilage. With high loads, cho/+ mice experienced less load‐induced cartilage damage at all time points and displayed decreased matrix metalloproteinase (MMP)‐13 levels compared to WT littermates. The thinner, less dense cortical bone and thicker cartilage were unexpected and may have contributed to the reduced severity of load‐induced cartilage damage in cho/+ mice. Furthermore, the spontaneous proteoglycan loss resulting from the mutant collagen XI was not additive to cartilage damage from mechanical loading, suggesting that these risk factors act through independent pathways. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 36:711–720, 2018.
Preliminary results of tissue‐engineered injection laryngoplasty material in a rabbit model
Authors: Oldenburg Michael S. , Ekbom Dale C. , San Marina Serban , Voss Steve , Chen Tiffany , Garcia Joaquin , Janus Jeffery R. 
Published: September 2017

Objectives/HypothesisDesign and test a novel biomaterial for injection laryngoplasty aimed to increase the duration of effectiveness of micronized acellular dermis.Study DesignAnimal model.MethodsInjection laryngoplasty was performed in three groups (n = 5) of New Zealand White rabbits. Acellular dermis was either used alone as a control (group 1), was combined with undifferentiated stem cells (group 2), or with predifferentiated chondrocytic cells (group 3). Groups 2 and 3 were supplemented with growth factors. Animals were sacrificed 4 and 12 weeks after laryngoplasty and histologic analysis was completed. The major outcome measure was volume of tissue remaining.ResultsAfter 4 weeks, the mean volume of tissue remaining was 341 ± 89 mm3, 295 ± 102 mm3, and 133 ± 15 mm3, for groups 1 to 3, respectively. At the 12‐week time point, volumes were 62 ± 62 mm3, 235 ± 35 mm3, and 107 ± 99 mm3. After 12 weeks, there was a significantly higher volume in group 2 compared to group 1 or 3 (P = .01, P = .04). Volumes between week 4 and week 12 were significantly lower in group 1 (P = .02), but not significantly different for groups 2 and 3 (P = .38, P = .74). Histologic evaluation revealed a robust lymphocytic infiltration in all cases as well as morphologic and immunophenotypic features suggestive of chondrogenic differentiation in a single animal.ConclusionsMicronized acellular dermis combined with stem cells and growth factors showed significantly less resorption 12 weeks after injection laryngoplasty compared to micronized acellular dermis alone. Groups using novel tissue‐engineered biomaterial showed a lower resorption rate over time compared with acellular dermis alone.Level of EvidenceNA. Laryngoscope, 128:160–167, 2018
Clinical predictors of multiple tympanostomy tube placements in Ontario children
Authors: Beyea Jason A. , Nguyen Paul , Hall Stephen F. 
Published: September 2017

ObjectivesTo characterize risk factors that predict the need for multiple tympanostomy tube (TT) procedures.Study DesignRetrospective population‐based cohort study of children aged 18 years and younger in Ontario, Canada, who underwent at least one TT placement between January 1, 1994, and October 31, 2013.MethodsThe relative risk (RR) of need for multiple TT procedures was determined using log‐binomial regression.ResultsThere were 193,880 children who underwent TT insertion included in this cohort. Of these, 28.58% underwent at least two separate TT procedures. Over time, the RR of undergoing multiple TT procedures is decreasing for all children. In general, the younger the child was at the first TT procedure, the more likely the child was to undergo multiple TT procedures. Significantly higher RR for multiple TT procedures also was associated with male sex, the second‐highest neighborhood income quintile, asthma or reactive airways, gastrointestinal disease, prematurity, or cleft lip and/or palate. Significantly lower RR for multiple TT procedures was associated with adenoidectomy or tonsillectomy (with or without adenoidectomy) at first TT placement or within 3 years prior. Furthermore, the benefit of adjuvant adenoidectomy or tonsillectomy was present for children aged under 4 years, in addition to those aged 4 years and older.ConclusionAmong Ontario children who have had TT placement, more than one in four will have multiple sets placed. These identified risk factors permit improved preoperative counseling and enable identification of children who need closer follow‐up.Level of Evidence2b. Laryngoscope, 128:991–997, 2018
Shaping Polyyne Rods by Using an Electric Field
Authors: Rozental Esther , Altus Eli , Major Dan Thomas , Hoz Shmaryahu 
Published: September 2017

AbstractWhen a homogenous electric field is applied to polyynes (C10 and C20) perpendicular to their long axis, they bend to form an arch. The height of the arch is proportional to the intensity of the electric field. The direction of the bend and its magnitude depend on the electronic nature (donor/acceptor) of the substituents at the termini of the polyyne. The driving force for the formation of the arch is the dipole moment produced in the system parallel to the electric field. This dipole moment stems from the substituents and from additional polarization by the field. The bend of the linear polyyne fits a parabolic distortion. According to mechanical engineering analysis, this results from a moment that operates at the two end zones of the polyynes, in accordance with the natural bond order (NBO) charge distribution. It is shown that solutions relevant to beam deflection due to a central load or a uniformly distributed load are not satisfactory. Various parameters, such as the dipole moment and the height of the arch, are better correlated with σ than with σ+ or σ−. Application of the electric field to more complex systems enables the sculpting of interesting nanoshapes.
Solution‐Processed Organic Solar Cells Using New Electron Acceptor Derived from Naphthalene and Fluorene Unit
Authors: Nagarjuna Puvvala , Chaturvedi Neha , Bagui Anirban , Runjhun Rashmi , Garg Ashish , Singh Surya Prakash 
Published: September 2017

AbstractWe have developed two new electron acceptors NAP‐C60 and N4 derived from naphthalene and fluorene, respectively for solution processed organic solar cells. In the case of NAP‐C60, [6, 6]‐phenyl C61‐butyric acid methyl ester (PC61BM) basic structure is modified by replacing its phenyl group with naphthalene group; while in the case of N4, diaryl fullerene structure was modified using fluorene group. The UV‐visible spectra of the molecules show strong absorption in the UV region. Cyclic‐voltammetry measurements yielded the highest occupied molecular orbital and lowest unoccupied molecular orbital energy levels of N4 and NAP‐C60 molecules as (‐5.63 eV, −3.69 eV) and (5.80 eV, −3.70 eV), respectively. The best solar cell devices made from PTB7:NAP‐C60 and PTB7:N4 bulk composite films resulted in power conversion efficiencies of 4.1 and 4.3 %, respectively. The diarylmethanofullerene derivative N4 shows a higher open circuit voltage compared to the methanofullerene derivative NAP‐C60, attributed to low lying LUMO levels of N4.
The Missing Link in Ni(II)‐Ln(III) System: Design and Synthesis of a Dinuclear [Ni2] and Three Pentanuclear [Ni3Ln2] (Ln=La, Ce, Eu) Complexes of a Schiff Base Ligand
Authors: Saha Sudeshna , Sarkar Arijit , Das Suman , Panda Tarun K. , Harms Klaus , Nayek Hari Pada 
Published: September 2017

AbstractA new Schiff base ligand N‐(2‐hydroxyphenyl‐3‐methoxy‐salicylideneamine)‐5‐nitrophenol (H2L) has been synthesized by the reaction of o‐vanillin with 2‐amino‐4‐nitrophenol. The ligand H2L has been employed to prepare homo‐ and heteronuclear metal complexes. For example, a dinuclear Ni(II) complex, [Ni2(L)2(H2O)3]⋅2DMF⋅3H2O (1) and a new family of three pentanuclear heterometallic [Ni3Ln2L6(H2O)4(DMF)2]⋅4DMF (Ln=La (2), Ce (3) and Eu (4) were prepared by the reaction of it with nickel nitrate hexahydrate and hydrated lanthanide nitrates. The solid state structures of ligand (H2L) and complexes 1–4 were determined by single crystal X‐ray diffraction analyses. Single crystal X‐ray diffraction and NMR data reveal that the ligand H2L exist as a keto‐enamine form in the solid state. Structure of complex 1 indicates formation of a dinuclear Ni(II) complex. Complexes 2–4 are isostructural and exhibits a butterfly‐like structure containing two Ln(III) ions and three Ni(II) ions. The Ni(II) and Ln(III) are bridged by phenoxo and aqua ligands resulting a pentanuclear chain with alternating Ni(II) and Ln(III) ions. Different coordination modes of ligand (H2L) have been explored. To the best of our knowledge, such pentanuclear complexes containing Ni−Ln and Schiff base ligand are hitherto unknown. The thermal stability and optical properties of all complexes are also investigated.