bluuebunny/crossref_metadata_2025 huggingface dataset:
Segregation Induced Self‐Assembly of Highly Active Perovskite for Rapid Oxygen Reduction Reaction
Authors: Li Yifeng , Zhang Wenqiang , Wu Tong , Zheng Yun , Chen Jing , Yu Bo , Zhu Jianxin , Liu Meilin
Published: September 2018

The development of high‐performance electrochemical energy storage and conversion technologies hinges largely on the creation of highly efficient and durable electrode materials. For many promising perovskite‐based electrode materials, however, nanosized islands of inert or insulating oxides, induced by cation segregation, are often formed on the surfaces under operating conditions, which severely degrade the electrocatalytic activity and long‐term stability. Here, the findings in effectively mitigating the challenges by controlling localized surface chemical states via surface decoration are reported. It is found that addition of SrO at La0.6Sr0.4CoO3−δ surface can induce self‐assembly of highly active perovskite coatings, avoiding the formation of inactive islands. Such coatings are found to act as active centers providing more than 10 times higher localized conductivity than the segregated islands and twice faster oxygen exchange kinetics than the perovskite surfaces, resulting in nearly 30 times improvement in electrochemical performances at 600 °C. The findings provide a novel approach to rational design and modification of perovskite electrode surfaces for higher and more durable electrochemical performance.
Advanced trust region optimization strategies for glass box/black box models
Authors: Eason John P. , Biegler Lorenz T.
Published: September 2018

We present an improved trust region filter (TRF) method for optimization of combined glass box/black box systems. Glass box systems refer to models that are easily expressed in an algebraic modeling language, providing cheap and accurate derivative information. By contrast, black box systems may be computationally expensive and derivatives are unavailable. The TRF method, as first introduced in our previous work (Eason and Biegler, AIChE J. 2016; 62:3124–3136), is able to handle hybrid systems containing both glass and black box components, which can frequently arise in chemical engineering, for example, when a multiphase reactor model is included in a flow sheet optimization problem. We discuss several recent modifications in the algorithm such as the sampling region, which maintains the algorithm's global convergence properties without requiring the trust region to shrink to zero in the limit. To benchmark the development of this optimization method, a test set of problems is generated based on modified problems from the CUTEr and COPS sets. The modified algorithm demonstrates improved performance using the test problem set. Finally, the algorithm is implemented within the Pyomo environment and demonstrated on a rigorous process optimization case study for carbon capture. © 2018 American Institute of Chemical Engineers AIChE J, 64: 3934–3943, 2018
Open‐Shell Characters, Aromaticities and Third‐Order Nonlinear Optical Properties of Carbon Nanobelts Composed of Five‐ and Six‐Membered Rings
Authors: Yamane Masaki , Kishi Ryohei , Tonami Takayoshi , Okada Kenji , Nagami Takanori , Kitagawa Yasutaka , Nakano Masayoshi
Published: September 2018

Geometric features, electronic structures and third‐order nonlinear optical (NLO) properties of belt‐shaped hydrocarbons, namely, carbon nanobelts, are investigated by using the density functional theory (DFT) methods. A carbon nanobelt composed of five‐ and six‐membered rings (IF‐CNB, 42π), which involves repeating indenofluorene (IF) units, is expected to exhibit both open‐shell multiradical character and relatively strong aromatic nature in the singlet state, while that composed only of six‐membered rings (CNB, 48π) is shown to be a closed‐shell weak antiaromatic species. These features of electronic structure of IF‐CNB are shown to be closely related to its p‐quinodimethane (pQM)‐like substructures and several geometric features (bond‐length alternations and symmetry) of the system. Third‐order NLO properties of open‐shell IF‐CNB is expected to be enhanced more than three times as large as those of the closed‐shell CNB. These results indicate the possibility of further multi‐functionalizations of belt‐shaped hydrocarbons by fusing five‐membered rings.
A Ferrocene‐Based Dicationic Iron(IV) Carbonyl Complex
Authors: Malischewski Moritz , Seppelt Konrad , Sutter Jörg , Munz Dominik , Meyer Karsten
Published: September 2018

The 16‐valence electron species [Cp*2Fe]2+ (Cp*=η‐C5Me5), formally featuring a tetravalent iron ion, quantitatively binds CO in HF solution to form the stable, diamagnetic carbonyl species [Cp*2Fe(CO)]2+. This dication forms salts in the presence of AsF6− and SbF6− that were crystallographically characterized. The molecular structure in crystals of [Cp*2Fe(CO)](AsF6)2 displays cyclopentadienyl rings that are clearly not parallel and an equatorially bound η1‐CO ligand. The formal oxidation state +IV of iron was investigated by 57Fe Mössbauer spectroscopy and is supported by DFT computational analysis. A detailed spectroscopic characterization of the hitherto unprecedented high‐valent iron carbonyl compounds is reported.
Effective removal of ammonia from wastewater using hollow fiber renewal liquid membrane
Authors: Liu Weidong , He Lichao , Wang Mengyao , Wei Lu , Xu Lei , Zhou Zhiyong , Ren Zhongqi
Published: September 2018

A new method using hollow fiber renewal liquid membrane (HFRLM) for treatment of ammonia wastewater was proposed. Di‐(2‐ethylhexyl) phosphoric acid (D2EHPA)‐kerosene and hydrogen chloride solution were selected as the extraction system and stripping phase for removal of ammonia from wastewater, respectively. The extraction equilibrium experiments were performed to confirm the feasibility of the extraction process. Effects of operating conditions and the composition of liquid membrane phase on mass transfer behavior of HFRLM were investigated. The treatment of ammonia wastewater with Mode 2 had a better mass transfer performance than that with Mode 1. In Mode 2, the feed phase and stripping phase flowed through the shell side and tube side, respectively. To a certain extent, the increases of D2EHPA concentration, hydrochloric acid concentration, and ammonia concentration were conducive to the increase of mass transfer flux of ammonia. After 10 stages of cascade experiments, the concentration of ammonia in wastewater at the outlet was less than 15 mg L−1. Besides, the final ammonia concentration decreased to 8.4 mg L−1 through the HFRLM recycling experiments. Based on series‐resistance model and the surface renewal theory, an appropriate mass transfer model was established and verified, which could be used to predict experimental results.
Silicon dioxide/poly(vinyl alcohol) composite hydrogels with high mechanical properties and low swellability
Authors: Luo X. , Akram M. Y. , Yuan Y. , Nie J. , Zhu X.
Published: September 2018

Poly(vinyl alcohol) (PVA) hydrogels with tissue‐like viscoelasticity, excellent biocompatibility, and hydrophilicity have been considered as promising cartilage replacement materials. However, the low mechanical properties of pure PVA hydrogels limit their applications for bearing complicated loads. Herein, we report silicon dioxide (SiO2)/PVA composite hydrogels fabricated by fabricated cyclically freezing/thawing the aqueous mixture of PVA and methyltrimethoxysilane (MTMS). MTMS hydrolyzes and forms SiO2 particles in situ to reinforce PVA hydrogel. Meanwhile, silanol group condenses with hydroxyl groups of PVA and chemically bonds with PVA. The resulting SiO2/PVA hydrogels exhibit much better mechanical properties than bare PVA hydrogel. In addition, the composite hydrogels keep very low swellable property. This prepared composite hydrogels are promising in a variety of biomedical applications such as artificial articular cartilage, drug delivery, and biosensors. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 46895.
Suppressive Regulation by MFG‐E8 of Latent Transforming Growth Factor β–Induced Fibrosis via Binding to αv Integrin: Significance in the Pathogenesis of Fibrosis in Systemic Sclerosis
Authors: Fujiwara Chisako , Uehara Akihito , Sekiguchi Akiko , Uchiyama Akihiko , Yamazaki Sahori , Ogino Sachiko , Yokoyama Yoko , Torii Ryoko , Hosoi Mari , Suto Chiaki , Tsunekawa Katsuhiko , Murakami Masami , Ishikawa Osamu , Motegi Sei‐ichiro
Published: September 2018

Objective

Several studies have demonstrated that the secreted glycoprotein and integrin ligand milk fat globule–associated protein with epidermal growth factor– and factor VIII–like domains (MFG‐E8) negatively regulates fibrosis in the liver, lungs, and respiratory tract. However, the mechanisms and roles of MFG‐E8 in skin fibrosis in systemic sclerosis (SSc) have not been characterized. We undertook this study to elucidate the role of MFG‐E8 in skin fibrosis in SSc.

Methods

We assessed expression of MFG‐E8 in the skin and serum in SSc patients. We examined the effect of recombinant MFG‐E8 (rMFG‐E8) on latent transforming growth factor β (TGFβ)–induced gene/protein expression in SSc fibroblasts. We examined the effects of deficiency or administration of MFG‐E8 on fibrosis mouse models.

Results

We demonstrated that MFG‐E8 expression around dermal blood vessels and the serum MFG‐E8 level in SSc patients (n = 7 and n = 44, respectively) were lower than those in healthy individuals (n = 6 and n = 28, respectively). Treatment with rMFG‐E8 significantly inhibited latent TGFβ–induced expression of type I collagen, α‐smooth muscle actin, and CCN2 in SSc fibroblasts (n = 3–8), which suggested that MFG‐E8 inhibited activation of latent TGFβ as well as TGFβ signaling via binding to αv integrin. In a mouse model of bleomycin‐induced fibrosis (n = 5–8) and in a TSK mouse model (a genetic model of SSc) (n = 5–10), deficient expression of MFG‐E8 significantly enhanced both pulmonary and skin fibrosis, and administration of rMFG‐E8 significantly inhibited bleomycin‐induced dermal fibrosis.

Conclusion

These results suggest that vasculopathy‐induced dysfunction of pericytes and endothelial cells, the main cells secreting MFG‐E8, may be associated with the decreased expression of MFG‐E8 in SSc and that the deficient inhibitory regulation of latent TGFβ–induced skin fibrosis by MFG‐E8 may be involved in the pathogenesis of SSc and may be a therapeutic target for fibrosis in SSc patients.
Monitoring futility and efficacy in phase II trials with Bayesian posterior distributions—A calibration approach
Authors: Kopp‐Schneider Annette , Wiesenfarth Manuel , Witt Ruth , Edelmann Dominic , Witt Olaf , Abel Ulrich
Published: September 2018

A multistage single arm phase II trial with binary endpoint is considered. Bayesian posterior probabilities are used to monitor futility in interim analyses and efficacy in the final analysis. For a beta‐binomial model, decision rules based on Bayesian posterior probabilities are converted to “traditional” decision rules in terms of number of responders among patients observed so far. Analytical derivations are given for the probability of stopping for futility and for the probability to declare efficacy. A workflow is presented on how to select the parameters specifying the Bayesian design, and the operating characteristics of the design are investigated. It is outlined how the presented approach can be transferred to statistical models other than the beta‐binomial model.
Effects of Tm3+ concentration on upconversion luminescence and temperature‐sensing behavior in Tm3+/Yb3+:Y2O3 nanocrystals
Authors: Chen Guangrun , Lei Ruoshan , Huang Feifei , Wang Huanping , Zhao Shilong , Xu Shiqing
Published: September 2018

The effects of Tm3+ concentration on upconversion emission and temperature‐sensing behavior of Tm3+/Yb3+:Y2O3 nanocrystals were investigated. Blue and red emissions were observed under 980 nm excitation. Both upconversion emissions and the blue to red intensity ratio were found to decrease with increasing Tm3+ concentration. The temperature‐sensing performances of the samples were studied, the fluorescence intensity ratio of 1G4(a)→3H6 (477 nm) and 1G4(b)→3H6 (490 nm) transitions from Tm3+ ions was chosen as the thermometric index. The results showed that the sensor sensitivity was sensitive to Tm3+ ion concentration. The maximum sensitivity of ~32 × 10−4 K−1 was obtained for 0.1%Tm3+/5%Yb3+:Y2O3 nanocrystals at 344 K. Moreover, a marked optical induced heating effect was also found in the nanocrystals. The prepared Tm3+/Yb3+:Y2O3 nanocrystals could be used in temperature‐sensing probes and in optical heaters.
Plasmatic free light chains as inflammatory marker in insulin resistance: comparison of metabolic syndrome with adult growth hormone deficiency
Authors: Basile Umberto , Bruno Carmine , Napodano Cecilia , Vergani Edoardo , Pocino Krizia , Brunetti Alessandro , Gulli Francesca , Santini Stefano Angelo , Mancini Antonio
Published: September 2018

Biological functions of immunoglobulin‐free light chains (FLCs), other than in chronic inflammatory diseases, are still poorly defined; the field of insulin resistance (IR) has not been investigated, despite the strict relationships with oxidative stress (OS) and inflammation. Therefore, we evaluated FLCs levels and their relationships with metabolic parameters in adult growth hormone deficiency (GHD) and metabolic syndrome (MetS), both characterized by IR. One hundred subjects were enrolled: group A, patients with GHD [n =31, 24–69 years, mean ± SEM body mass index (BMI) 26.8 ± 1.5 kg/m2]; group B, patients with MetS (n = 29, 21–70 years, BMI 31.9 ± 1.3); group C, controls (N = 40, 21–62 years, BMI 21.6 ± 1.1). Groups were matched by age range and, for patients, by BMI. Morning blood sample was collected for metabolic parameters and FLCs, assessed by turbidimetric assay. GHD patients show levels of FLCs significantly higher than MetS and controls (mean ± SEM κ 37.21 ± 6.97, 15.27 ± 0.86, 12.34 ± 0.85 mg/l; λ 19.44 ± 2.61, 11.78 ± 0.72 and 11.67 ± 0.77 mg/l; κ/λ ratio 1.77 ± 0.13, 1.38 ± 0.09; and 1.10 ± 0.06, respectively); only κ were higher in MetS versus controls. Therefore, the ratio showed progressive declining values in GHD versus MetS versus controls. Our data show increased FLCs levels in GHD and MetS, with the highest values in the former. Both conditions show OS, but with different molecular patterns. FLCs may contribute to chronic inflammation, leading to OS, and cardiovascular complications of GHD. Prognostic and therapeutic implications require further investigation. © 2018 BioFactors, 44(5):480–484, 2018
Simultaneous determination of tiopronin and its primary metabolite in plasma and ocular tissues by HPLC
Authors: Beltz Justin , Pfaff Annalise , Ercal Nuran
Published: September 2018

Tiopronin, formally 2‐mercaptopropionylglycine (MPG), is currently prescribed to treat cystinuria and rheumatoid arthritis, and its antioxidant properties have led to its investigation as a treatment for cataracts, a condition in which oxidative stress is strongly implicated. To study its accumulation in the eye, a reliable, isocratic HPLC method was developed for the determination of MPG and its primary metabolite 2‐mercaptopropionic acid (MPA) in plasma and relevant ocular tissues. This method utilizes pre‐column derivatization and fluorescence detection. The 3.5 min separation enables high‐throughput analysis, and validation experiments demonstrated that this method is suitable for evaluating ocular accumulation of MPG and MPA at concentrations as low as 66 and 33 nm, respectively. Excellent linearity was achieved over the working concentration range with R2 > 0.997. Extraction recovery was reproducible within each matrix and exceeded 97%. Accuracy was within 13.3% relative error, and intra‐ and inter‐day precisions were within 6% CV and 7% CV, respectively. Sample stability was demonstrated under various storage conditions, and the use of an internal standard conferred exceptional ruggedness. This method has been successfully applied for the determination of MPG and MPA in plasma, cornea, lens and retina following intraperitoneal administration of the drug in Wistar rats.
Environmental policy, environmental performance, and financial distress in China: Do top management team characteristics matter?
Authors: Shahab Yasir , Ntim Collins G. , Chengang Ye , Ullah Farid , Fosu Samuel
Published: September 2018

This study investigates the effect of environmental performance that is driven by good environmental policies, regulations, and management on firm's financial distress and, consequently, ascertains the extent to which top management teams' (TMTs') characteristics can moderate the environmental performance–financial distress nexus in China using 749 firms over the 2009–2014 period (i.e., generating over 3,000 individual observations). Our findings are twofold. First, our results indicate that increased environmental performance that is driven by good environmental policies tends to strategically reduce the extent of firm financial distress. Second, this nexus is moderated by TMT gender diversity, foreign exposure, and political connection. We interpret our findings within neo‐institutional, upper echelons, and risk management theoretical perspectives. The findings are robust to the use of alternative measures of financial distress, estimation techniques, and endogeneity problems.
Innovation intensity, creativity enhancement, and eco‐innovation strategy: The roles of customer demand and environmental regulation
Authors: Liao Yi‐Chuan , Tsai Kuen‐Hung
Published: September 2018

This study develops a contingency framework to investigate how and when innovation intensity and creativity enhancement affect a firm's eco‐innovation strategy by drawing upon the perspectives of the resource‐based view and stakeholder theory. This investigation aims to explore whether firms with high innovation intensity and creativity enhancement really pursue eco‐innovation strategy. Our examination is based on a sample of 2,126 manufacturing firms. By using a hierarchical regression, the results reveal that the effects of innovation intensity and creativity enhancement on eco‐innovation strategy depend on customer demand and environmental regulation. Specifically, customer demand positively moderates the effects of innovation intensity and creativity enhancement on eco‐innovation strategy, whereas existing regulation has a weaker effect on the relationship between innovation activities and eco‐innovation strategy than that of anticipated regulation.
Counselor Educators' Experiences Preparing Preservice School Counselors: A Phenomenological Study
Authors: Watkinson Jennifer Scaturo , Goodman‐Scott Emily C. , Martin Ian , Biles Kathy
Published: September 2018

The authors conducted a phenomenological study to explore the experiences of 32 school counselor educators preparing preservice school counselors. Analysis of data from 3 focus groups revealed 3 themes: breadth versus depth, balancing specialties and professor partiality, and preparation versus practice. These results highlight the need for collaboration across counseling specialties at the preservice level.
Influence of Cu on the Performance of Tuberose Architecture of Strontium Hydroxide Thin Film as a Supercapacitor Electrode
Authors: Kavyashree  , Raut Shrikant S. , Parveen Shama , Sankapal Babasaheb R. , Pandey S. N.
Published: September 2018

A simple, economical successive ionic layer adsorption and reaction (SILAR) method has been used for synthesizing 1, 2 and 3 at.% copper‐doped strontium hydroxide over a stainless‐steel (SS) substrate. X‐ray diffraction reveals the orthorhombic crystal structure of polycrystalline Cu‐doped Sr(OH)2. FTIR and Raman analyses explore the chemical bond analysis of the active material. The morphology of the Cu‐doped Sr(OH)2 was analyzed by using SEM. This shows novel hierarchical‐branched tuberose with flakes. The energy‐dispersive X‐ray spectroscopy (EDAX) also confirms the doping of Cu into Sr(OH)2. The electrochemical properties have been investigated by using cyclic voltammetry (CV) and galvanostatic charge−discharge measurements. It has been perceived that doping clearly affects the supercapacitive behavior. The specific capacity of the 3 at.% Cu‐doped Sr(OH)2 film electrode exhibits a maximum specific capacity of 817 C g−1 at 0.4 mA cm−1 in 1 M Na2SO4 electrolyte, but has a low cycle stability. The 2 at.% Cu‐doped sample shows high cycle stability by retrieving 71 % of its capacity after 5000 cycles. The relationship between the doping concentration and supercapacitive behavior has also been discussed. The good capacitive behavior and cycle stability of the Cu‐doped Sr(OH)2 gives the new perspective for the flexible electrode material, which can be used in the near future as an energy storage material.
Enhancing Energy Storage via TEA‐Dependent Controlled Syntheses: Two Series of Polyoxometalate‐Based Inorganic‐Organic Hybrids and their Supercapacitor Properties
Authors: Chai Dongfeng , Hou Yan , O'Halloran Kevin P. , Pang Haijun , Ma Huiyuan , Wang Guangning , Wang Xinming
Published: September 2018

To enhance energy storage performance via modulation of crystal structure on the molecular level, two series of triethylamine (TEA)‐dependent polyoxometalate (POM) based inorganic‐organic hybrid compounds, [CuII(btx)2]2[SiW12O40] (SiW‐1), [CuI(btx)]4[SiW12O40] (SiW‐2), [CuI4(btx)3][SiW12O40] ⋅ 2H2O (SiW‐3), [{CuII6(btx)7(H2O)12}H4⊂(W12O40)2] ⋅ 12H2O (W‐1), [{CuII7(btx)8(H2O)10}H2⊂(W12O40)2] ⋅ 2H2O (W‐2) and [{CuII10CuI2(btx)11(H2O)16}H2⊂(W12O40)3] ⋅ 6H2O (W‐3) (btx=1,4‐bis(triazol‐1‐ylmethyl)benzene) have been synthesized and explored as pseudocapacitor electrode materials. Compared to other compounds, SiW‐2 shows a specific capacitance of 110.3 F g−1 at 3.0 A g−1 and only experiences a capacitance loss of 13 % after 1000 cycles at a current density of 18.0 A g−1. More importantly, the two series of compounds can be considered as a model for studying the effects of the molecular structures on the pseudocapacitor performance. The result verifies that besides the type of POM, the capacitance ability of the POM‐based compounds is mainly dominated by the connecting modes of adjacent POM building blocks and the dimension of covalent networks formed by POM building blocks. Thus, this work may open a new avenue to optimize the performance of POM‐based capacitors.
Acid‐Regulated Switching of Metal Cation and Anion Guest Binding in Halogen‐Bonding Rotaxanes
Authors: Li Xiaoxiong , Lim Jason Y. C. , Beer Paul D.
Published: September 2018

The ability of natural enzymes to regulate their guest binding affinities and preferences through the use of co‐ligands which alter the features of the binding site is fundamental to biological homeostatic control. Herein, the rarely exploited orthosteric control of guest binding is demonstrated using neutral halogen bonding [2]rotaxanes, in which a chemical stimulus (acid) interacting with the interlocked host binding site switches the host's native guest preference from metal cations to anions. When neutral, the rotaxanes exhibit pronounced transition metal cation affinity and comparatively weak anion binding properties. However, the addition of acid attenuates the rotaxanes’ ability to coordinate cations, while concurrently enabling strong binding of halides through charge assisted halogen bonding and hydrogen bonding interactions in competitive aqueous solvent media. The appendage of a fluorescent anthracene reporter group to the rotaxane framework also enables diagnostic sensory responses to cation/anion binding.
Reorientation dynamics and structural interdependencies of actin, microtubules and intermediate filaments upon cyclic stretch application
Authors: Zielinski Alexander , Linnartz Christina , Pleschka Catharina , Dreissen Georg , Springer Ronald , Merkel Rudolf , Hoffmann Bernd
Published: September 2018

Any cell within a tissue is constantly confronted with a variety of mechanical stimuli. Sensing of these diverse stimuli plays an important role in cellular regulation. Besides shear stress, cells of the vascular endothelium are particularly exposed to a permanent cyclic straining originating from the interplay of outwards pushing blood pressure and inwards acting contraction by smooth musculature. Perpendicular alignment of cells as structural adaptation to this condition is a basic prerequisite in order to withstand deformation forces.

Here, we combine live cell approaches with immunocytochemical analyses on single cell level to closely elucidate the mechanisms of cytoskeletal realignment to cyclic strain and consolidate orientation analyses of actin fibres, microtubules (MTs) and vimentin. We could show that strain‐induced reorientation takes place for all cytoskeletal systems. However, all systems are characterized by their own, specific reorientation time course with actin filaments reorienting first followed by MTs and finally vimentin. Interestingly, in all cases, this reorientation was faster than cell body realignment which argues for an active adaptation mechanism for all cytoskeletal systems. Upon actin destabilization, already smallest alterations in actin kinetics massively hamper cell morphology under strain and therefore overall reorientation. Depolymerization of MTs just slightly influences actin reorientation velocity but strongly affects cell body reorientation.
Consumer behavior and corporate social responsibility: An evaluation by a choice experiment
Authors: Boccia Flavio , Malgeri Manzo Rosa , Covino Daniela
Published: September 2018

The relationship between corporate social responsibility and consumer's behavior is more and more strong today: so it influences management of ethical and social effects of companies. The aim of the study is to investigate to what extent the socially responsible behaviors of companies influence consumer purchasing decisions and, moreover, the possible willingness to pay higher prices for good practice products. A choice experiment was conducted in Italy for this purpose on ready‐made foods, where socially responsible initiatives of companies are compared with four levels of price and the presence or absence of a known brand. The analysis shows a positive relationship between socially responsible initiatives of companies and attitudes of consumers towards them and their products. However, by investigation, only few people adopt corporate social responsibility as choice criterion for purchases still, because traditional purchasing criteria continue to prevail, in particular the price. The conclusions are also a matter for thought for further discussion.
WS2 and C‐TiO2 Nanorods Acting as Effective Charge Separators on g‐C3N4 to Boost Visible‐Light Activated Hydrogen Production from Seawater
Authors: Yang Chengwu , Qin Jiaqian , Rajendran Saravanan , Zhang Xinyu , Liu Riping
Published: September 2018

Semiconductor photocatalysis is regarded as an ideal method for use in solving the energy shortage and environmental issues by converting solar energy to chemical energy. Herein, we have designed a facile synthetic methodology to obtain a ternary co‐modified g‐C3N4 composite via WS2 and carbon‐doped TiO2 (C‐TiO2) nanorods with highly efficient photocatalytic activity for hydrogen production from deionized (DI) water and a natural seawater system under visible‐light illumination. This composite exhibits enhanced photocatalytic activity compared to the pristine g‐C3N4, WS2, C‐TiO2 nanorods, and the reference‐modified g‐C3N4 composite with individual WS2 or C‐TiO2 nanorods. Co‐modified g‐C3N4 composite shows a great photostability in both DI water and seawater. Under λ=420 nm monochromatic light illumination, the apparent quantum efficiency of the co‐modified g‐C3N4 composite in seawater solution is 13.08 %, which is higher than pure g‐C3N4 (5.06 %). WS2, TiO2, and g‐C3N4 constitute a ternary heterojunction boosting the fast separation of photoinduced electron–hole pairs, which plays a crucial role in enhancing photocatalytic activity. Therefore, the WS2 and C‐TiO2 nanorod co‐modified g‐C3N4 composite with high photocatalytic performance provides a promising candidate for rationally utilizing the seawater resource to produce clean chemical energy.
Hydrodynamic trait coordination and cost–benefit trade‐offs throughout the isohydric–anisohydric continuum in trees
Authors: Mirfenderesgi Golnazalsadat , Matheny Ashley M. , Bohrer Gil
Published: September 2018

Whole‐plant hydraulic performance depends on the integrated function of trait complexes, such as embolism resistance, stomatal closure mechanisms, and root properties. The diversity of such traits produces a wide range of response strategies to both short‐term variation of environmental conditions and long‐term changes to climate and hydrological cycles. This study aims to assess the role of different emergent hydraulic trait combinations in trees' vulnerability to drought using a quantitative modelling framework. This modelling framework may be helpful in studying the influence of plant hydraulic traits independently. It will also be used to assess how different groups of traits interact to form viable hydraulic strategies in response to different environmental conditions.

We use the advanced plant hydrodynamic model, finite‐difference ecosystem‐scale tree crown hydrodynamics model version 2, to resolve plant functional traits of roots, stems, and leaves and simulate the transpiration. We define a multidimensional hydraulic “strategy space” by considering a continuum of these traits to test the outcomes of different hypothetical strategies in response to environmental conditions as observed in Northern Michigan, USA. We evaluate the degree to which simulated trees suffer hydraulic failure due to cavitation or carbon deficiency in response to reduced stomatal conductance. Our results demonstrate how the relationship between plant hydraulic strategy and hydraulic safety margin emerges from trait combinations along different tissue levels. Our findings suggest that hydrodynamic models present an exciting new possibility to define and study plant traits and hydrodynamics.
The distribution and role of functional abundance in cross‐scale resilience
Authors: Sundstrom Shana M. , Angeler David G. , Barichievy Chris , Eason Tarsha , Garmestani Ahjond , Gunderson Lance , Knutson Melinda , Nash Kirsty L. , Spanbauer Trisha , Stow Craig , Allen Craig R.
Published: September 2018

The cross‐scale resilience model suggests that system‐level ecological resilience emerges from the distribution of species’ functions within and across the spatial and temporal scales of a system. It has provided a quantitative method for calculating the resilience of a given system and so has been a valuable contribution to a largely qualitative field. As it is currently laid out, the model accounts for the spatial and temporal scales at which environmental resources and species are present and the functional roles species play but does not inform us about how much resource is present or how much function is provided. In short, it does not account for abundance in the distribution of species and their functional roles within and across the scales of a system. We detail the ways in which we would expect species’ abundance to be relevant to the cross‐scale resilience model based on the extensive abundance literature in ecology. We also put forward a series of testable hypotheses that would improve our ability to anticipate and quantify how resilience is generated, and how ecosystems will (or will not) buffer recent rapid global changes. This stream of research may provide an improved foundation for the quantitative evaluation of ecological resilience.
Familial factors predicting recovery and maintenance of physical activity in people with low back pain: Insights from a population‐based twin study
Authors: Zadro Joshua Robert , Shirley Debra , Duncan Glen E. , Ferreira Paulo H.
Published: September 2018

Background

It is unknown how familial factors influence the recovery from low back pain (LBP) and the maintenance activity behaviours. We aimed to investigate whether individual and within‐family physical activity (PA) and sedentary behaviour influenced recovery from LBP, and maintenance of PA and sedentary behaviour in people with and without LBP.

Methods

Longitudinal logistic regression analyses were performed on adult twins from the Washington State Twin Registry. First, individual and within‐family (based on co‐twin data) sufficient PA (at least 75 min of vigorous‐intensity PA, or 150 min of moderate‐intensity PA per week) and high leisure sitting time (≥3 hr/day) were our exposure variables (baseline). LBP within the past 3 months at follow‐up defined non‐recovery (outcome). Second, within‐family sufficient PA and high leisure sitting time were our exposure variables(baseline) and our outcomes were individual PA and sitting time at follow‐up. All analyses were adjusted for follow‐up length (range: 1–7 years) and confounding variables.

Results

Individual and within‐family PA and sitting time were not associated with recovery. Within‐family PA and sitting time predicted individual maintenance of PA (OR = 1.47, 95% CI: 1.17–1.84, n = 1,388 twins) and sitting time (OR = 1.41, 95% CI: 1.10–1.82, n = 1,534). Within‐family PA and sitting time had the strongest effects on those without (OR = 1.79, 95% CI: 1.33–2.41, n = 788) and with LBP (OR = 1.90, 95% CI: 1.32–2.76, n = 698), respectively.

Conclusion

Having active family members increased the likelihood of continuing to be active (particularly for those without LBP), while having sedentary family members increased the likelihood of maintaining sedentary behaviours (particularly for those with LBP).

Significance

This study was the first to investigate how familial activity behaviours influence recovery from LBP and ongoing activity behaviours. People with LBP living within a sedentary family likely require specific interventions to reduce their sedentary behaviours.
A design procedure for pin‐supported rocking buckling‐restrained braced frames
Authors: Bosco Melina , Marino Edoardo M. , Rossi Pier Paolo
Published: September 2018

The paper describes a design procedure for a special type of chevron braced frame endowed with ties between the upper ends of the braces of adjacent storeys. Unlike conventional or suspended zipper braced frames, the braces on one side of the braced span—along with the adjacent columns and ties—are part of a vertical truss system that is hinged at the base and designed to remain elastic until the near collapse limit state has been reached. The braces on the other side of the braced span consist of buckling‐restrained braces and are designed to provide energy dissipation. The design procedure stems from a design method proposed in the past for rocking eccentrically braced structures and applies capacity design principles. The accuracy of the procedure is proved by means of nonlinear dynamic analysis of multistorey systems with different geometric and mechanical properties. To highlight further the qualities of the examined type and evaluate the cost‐effective range of application, a comparison is made with other braced types in terms of cost of structural steel and seismic performance.
Natural‐Light‐Initiated 3D Macro Zigzag Architecture of Graphene‐Reinforced Polystyrene for Gravity‐Driven Oil and Water Separation
Authors: Baig Nadeem , Saleh Tawfik A.
Published: September 2018

Superhydrophobic 3D robust materials are introduced for the separation of hexane and water. For the first time, novel 3D zigzag polystyrene on graphene‐incorporated polyurethane (3D zz‐PS/GR/PU) is prepared using exclusively natural sunlight without any chemical initiator. The zigzag polystyrene growth is accomplished by polymerizing the styrene vapors. The natural sunlight provides a compact 3D zz‐PS/GR/PU material with superoleophilic and hydrophobic channels that allow for the rapid passage of oil, whereas water is entirely prevented from passing. The 3D zz‐PS/GR/PU compact channels are transformed into the compressible material by treating them with toluene without affecting the hydrophobicity of the material. The 3D zz‐PS/GR/PU displays a high‐water contact angle of approximately 150°. The developed materials are characterized by FTIR, SEM, and BET. The graphene incorporation makes surface area of the 3D zz‐PS/GR/PU substantially large compared with PU. It is improved from 15 to 67 m2 g−1. The pore size of the adsorption and desorption in the 3D zz‐PS/GR/PU is also reduced from 354 and 352 Å to 34 and 33 Å. The 3D zz‐PS/GR/PU satisfies the requirement of high‐demanding superhydrophobic materials, like a low‐cost fabrication process, reusability, and tunability. This strategy can trigger large‐scale production with a controlled morphology.
Prevalence of BRCA1 and BRCA2 pathogenic variants in a large, unselected breast cancer cohort
Authors: Li Jingmei , Wen Wei Xiong , Eklund Martin , Kvist Anders , Eriksson Mikael , Christensen Helene Nordahl , Torstensson Astrid , Bajalica‐Lagercrantz Svetlana , Dunning Alison M. , Decker Brennan , Allen Jamie , Luccarini Craig , Pooley Karen , Simard Jacques , Dorling Leila , Easton Douglas F. , Teo Soo‐Hwang , Hall Per , Borg Åke , Grönberg Henrik , Czene Kamila
Published: September 2018

Breast cancer patients with BRCA1/2‐driven tumors may benefit from targeted therapy. It is not clear whether current BRCA screening guidelines are effective at identifying these patients. The purpose of our study was to evaluate the prevalence of inherited BRCA1/2 pathogenic variants in a large, clinically representative breast cancer cohort and to estimate the proportion of BRCA1/2 carriers not detected by selectively screening individuals with the highest probability of being carriers according to current clinical guidelines. The study included 5,122 unselected Swedish breast cancer patients diagnosed from 2001 to 2008. Target sequence enrichment (48.48 Fluidigm Access Arrays) and sequencing were performed (Illumina Hi‐Seq 2,500 instrument, v4 chemistry). Differences in patient and tumor characteristics of BRCA1/2 carriers who were already identified as part of clinical BRCA1/2 testing routines and additional BRCA1/2 carriers found by sequencing the entire study population were compared using logistic regression models. Ninety‐two of 5,099 patients with valid variant calls were identified as BRCA1/2 carriers by screening all study participants (1.8%). Only 416 study participants (8.2%) were screened as part of clinical practice, but this identified 35 out of 92 carriers (38.0%). Clinically identified carriers were younger, less likely postmenopausal and more likely to be associated with familiar ovarian cancer compared to the additional carriers identified by screening all patients. More BRCA2 (34/42, 81.0%) than BRCA1 carriers (23/50, 46%) were missed by clinical screening. In conclusion, BRCA1/2 mutation prevalence in unselected breast cancer patients was 1.8%. Six in ten BRCA carriers were not detected by selective clinical screening of individuals.
Structure investigation, spectral characterization, electronic properties, and antimicrobial and molecular docking studies of 3′‐(1‐benzyl‐5‐methyl‐1H‐1,2,3‐triazole‐4‐carbonyl)‐1′‐methyl‐4′‐phenyl‐2H‐spiro[acenaphthylene‐1,2′‐pyrrolidine]‐2‐one
Authors: Helda Malarkodi Jesudoss , Murugavel Saminathan , Rosaline Ezhilarasi Jesudoss , Dinesh Murugan , Ponnuswamy Alagusundaram
Published: September 2018

A new compound, 3′‐(1‐benzyl‐5‐methyl‐1H‐1,2,3‐triazole‐4‐carbonyl)‐1′‐methyl‐4′‐phenyl‐2H‐spiro[acenaphthylene‐1,2′‐pyrrolidin]‐2‐one (BTANP), was prepared, analyzed by Single Crystal X‐ray Diffraction (SCXRD), and investigated spectroscopically, which includes NMR, FT‐IR/Raman, UV–Vis, and fluorescence studies. All the computations have been made with the resource of density functional theory (DFT) (B3LYP/6‐311G [d,p]) and compared with the measured values. The vibrational assignments with potential energy distribution (PED) percentages were figured out using the VEDA4 program. The computed 1H‐NMR and 13C‐NMR chemical shifts were acquired using the gauge invariant atomic orbital (GIAO) technique and were contrasted with determined records. The computed electronic (NBO, NLO, HOMO‐LUMO, chemical reactivity descriptors) and thermodynamic properties were also scrutinized and elucidated. The BTANP was evaluated for antimicrobial activity toward few bacterial and fungal strains and was also compared with standard drugs. In addition, molecular docking mockups were executed on BTANP against topoisomerase II gyrase and human lanosterol 14 α‐demethylase enzymes.
Techno‐economic analysis (TEA) of microbial oil production from waste resources as part of a biorefinery concept: assessment at multiple scales under uncertainty
Authors: Parsons Sophie , Abeln Felix , McManus Marcelle C , Chuck Christopher J
Published: September 2018

Background

Microbial oils – often termed single cell oils (SCOs) – offer an alternative to terrestrial oil crops across the energy, food and chemical industries. In addition to oils, a range of secondary metabolites can be produced from the heterotrophic organisms as part of a biorefinery system. Techno‐economic analysis (TEA) is an important tool for evaluating economic viability, and although TEA is subject to high uncertainties where production is still at the laboratory scale, the tool can play a significant role in directing further research to evaluate suitability of scale‐up.

Results

SCO production from the oleaginous yeast Metschnikowia pulcherrima using sucrose, wheat straw and distillery waste feedstocks was evaluated at two production scales. At a scale of 100 t year−1 oil production a minimum estimated selling price (MESP) of €14 000 t–1 was determined for sucrose. This reduced to €4–8000 t–1 on scaling to 10 000 t year−1, with sucrose and wheat straw yielding the lowest MESP.

Conclusions

Feedstock price and lipid yield had the greatest impact on overall economic return, though the valorization of co‐products also had a large effect, and further play between feedstock and system productivity strategies could bring the price down to be competitive with terrestrial oils in the future. The novel approach demonstrated here for the first time integrates uncertainty into economic analysis whilst facilitating decision‐support at an early technology development stage. © 2018 Society of Chemical Industry
β‐cyclodextrin modified g‐C3N4 nanosheet: a fluorescent drug carrier with ultrahigh drug loading capacity and pH‐responsive release
Authors: Liu Shanshan , Dong Wei , Zeng Xiongfeng , Guo Zhaoliang , Zong Peixiao , Li Bingdong , Meng Xianguang , Zuo Guifu
Published: September 2018

Background

β‐cyclodextrin modified g‐C3N4 (β‐CD/g‐C3N4) nanosheets were successfully synthesized and developed as a novel drug carrier of doxorubicin hydrochloride (DOX•HCl). The prepared samples were characterized by Fourier transform infrared spectroscopy (FTIR), X‐ray diffraction (XRD) and transmission electron microscopy (TEM). The drug‐loading and drug release was measured by a UV–visible spectrophotometer. Moreover, cell viability tests were carried out to evaluate the inhibition ratio of β‐CD/g‐C3N4‐DOX•HCl and bulk g‐C3N4‐DOX•HCl.

Results

The FTIR result confirmed that β‐CD and g‐C3N4 are linked by hydrogen bonds. The XRD and TEM results showed that β‐CD/g‐C3N4 has nanosheet structure with size range 150–300 nm. The drug‐loading ratio rises sharply in the first 14 h and reaches a maximum of 93%. Moreover, β‐CD/g‐C3N4 nanocomplex showed a pH‐responsive DOX•HCl release with a release ratio of 80% at pH = 5, which is two times higher than that of bulk g‐C3N4. Cell viability tests demonstrated that the β‐CD/g‐C3N4‐DOX•HCl exhibit a higher inhibition ratio on MG63 cells than bulk g‐C3N4‐DOX•HCl.

Conclusion

β‐CD/g‐C3N4 nanocomplex achieves an ultrahigh drug‐loading capacity and pH‐responsive release and visualization of the cell phagocytic process. The results indicate that the β‐CD/g‐C3N4 nanocomplex can be developed as a promising luminescence carrier for drug delivery. © 2018 Society of Chemical Industry
Routine DFT testing in patients undergoing ICD implantation does not improve mortality: A systematic review and meta‐analysis
Authors: Kannabhiran Munish , Mustafa Usman , Acharya Madan , Telles Nelson , Alexandria Brackett , Reddy Pratap , Dominic Paari
Published: September 2018

Defibrillation threshold (DFT) testing has been an integral part of implantable cardioverter‐defibrillator (ICD) implantation to confirm appropriate sensing of ventricular fibrillation and to establish an adequate safety margin for defibrillation. However, there is a lack of evidence regarding benefits of routine DFT testing. Therefore, we performed a meta‐analysis to assess its mortality benefit. We searched MEDLINE for studies comparing mortality outcomes in ICD recipients who underwent DFT testing to those who did not. For the second analysis, studies comparing outcomes in patients with high‐ vs low‐energy DFT were included. Odds ratio and standard errors were calculated, and inverse variance method in a random‐effect model was used to combine effect sizes. Fifteen studies with 10,975 subjects comparing outcomes in patients who underwent routine DFT testing during ICD implantation and those who did not were included. There was no difference in the group that did not undergo DFT testing with regards to all‐cause mortality (OR 0.935; CI 0.725‐1.207; P = 0.606), cardiac mortality (OR 0.709; CI 0.385‐1.307; P = 0.271), noncardiac mortality (OR 0.921; CI 0.701‐1.210; P = 0.554), and arrhythmic mortality (OR 1.152; CI 0.831‐1.596; P = 0.396). Percentage of successful appropriate first shocks among the two groups showed no difference. Five studies with 2278 subjects were included in the second analysis comparing patients with low DFT vs high DFT. Patients with high DFT had no significant increase in all‐cause mortality compared to patients with low DFT (OR 0.527; CI 0.034‐8.107; P = 0.646). Patients requiring higher DFT had no increased all‐cause mortality compared to patients with lower DFT. Routine DFT testing during ICD implantation does not confer any significant benefit.
Ablation of atrial fibrillation in patients with Brugada syndrome: A systematic review of the literature
Authors: Rodríguez‐Mañero Moisés , Kreidieh Bahij , Valderrábano Miguel , Baluja Aurora , Martínez‐Sande Jose Luis , García‐Seara Javier , Díaz‐Fernández Brais , Pereira‐Vázquez María , Lage Ricardo , González‐Melchor Laila , Fernández‐López Xesús A. , González‐Juanatey José Ramón
Published: September 2018

Supraventricular arrhythmias are common in Brugada syndrome (BS), and notoriously difficult to manage with medical therapy secondary to associated risks. Pulmonary vein isolation (PVI) is often utilized instead, but its outcomes in this population are not well‐known. We aim to provide a holistic evaluation of interventional treatment for Atrial fibrillation (AF) in the BS population. Electronic databases Medline, Embase, Cinahl, Cochrane, and Scopus were systematically searched for publications between 01/01/1995 and 12/31/2017. Studies were screened based on predefined inclusion and exclusion criteria. A total of 49 patients with BS and AF were included. Age range from 28.8 to 64 years, and 77.5% were male. 38 patients were implanted with implantable cardioverter‐defibrillators (ICD) at baseline, and of them, 39% suffered inappropriate shocks for rapid AF. 34/49 (69%) of patients achieved remission following a single PVI procedure. Of the remaining, 13 patients underwent one or more repeat ablation procedures. Overall, 45/49 (91.8%) of patients remained in remission during long‐term follow‐up after one or more PVI procedures in the absence of antiarrhythmic drug (AAD) therapy. Postablation, no patients suffered inappropriate ICD shock. Furthermore, no major complications secondary to PVI occurred in any patient. AF ablation achieves acute and long‐term success in the vast majority of patients. It is effective in preventing inappropriate ICD therapy secondary to rapid AF. Complication rates of PVI in BS are low. Thus, in light of the risks of AADs and risk of inappropriate ICD shocks in the BS population, catheter ablation could represent an appropriate first‐line therapy for paroxysmal atrial fibrillation in BS patients.