bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis, physicochemical characterization, geometric structure and molecular docking of new biologically active ferrocene based Schiff base ligand with transition metal ions
Authors: Mahmoud W.H. , Mahmoud N.F. , Mohamed Gehad G.
Published: June 2017

Physicochemical studies were performed to study new ferrocene based Schiff base ligand (HL), (Z)‐(4‐(1‐((2‐carboxycyclohexa‐2,4‐dien‐1‐yl)imino)ethyl)[bis(η5cyclopenta‐1,3‐dien‐1 yl)]iron with some transition metal ions to form a series of ferrocenyl derivatives bearing transition metal complexes of the type [M(L)Cl(H2O)3] (M = Ni(II), Cu(II)), [M(L)Cl(H2O)3]nH2O (M = Mn(II) (n = 1), Co(II) (n = 1), Zn(II) (n = 2) and Cd(II) (n = 3)) and [M(L)Cl(H2O)3]Cl.nH2O (M = Cr(III) (n = 2) and Fe(III) (n = 1)). The new ligand and metal ion complexes have been prepared and characterized by IR, UV‐Vis, 1H‐NMR, TG/DTA, elemental analysis and mass spectrometry. The TGA/DTG analysis revealed that the ferrocene precursors decompose spontaneously to form iron(II) oxide. The molecular and electronic structure of the ligand (HL) was optimized theoretically and the quantum chemical parameters were calculated. The molecular structure with a variety of functionalities can be used to investigate the coordination sites and the total charge density around each atom. DFT‐based molecular orbital energy calculations of the new ligand have been also studied. All of the complexes were screened against a panel of Gram (+) bacteria: Streptococcus pneumoniae and Bacillis subtilis, Gram (−) bacteria: Pseudomonas aeruginosa and Escherichia coli and panel of fungi: Aspergillus fumigatu, Syncephalastrum racemosum, Geotricum candidum and Candida albicans. Anticancer activity screening for the tested compounds using 4 different concentrations of HL ligand against human tumor cells of breast cancer cell line MCF‐7 were obtained. Molecular docking was used to predict the binding between HL ligand and human‐DNA‐Topo I complex (PDB ID: 1SC7), the receptors of breast cancer mutant oxidoreductase (PDB ID: 3HB5), crystal structure of Escherichia coli (PDB ID: 3T88), to identify the binding mode and the crucial functional groups interacting with the three proteins.
A simplified chemorheological model of viscosity evolution for solvent containing resol resin in RTM process
Authors: Yi Xiaolin , Kuang Xiao , Kong Lei , Dong Xia , Feng Zhihai , Wang Dujin
Published: June 2017

The solvent content‐dependent chemorheology of the solvent containing resol resin for resin transfer molding (RTM) was investigated. The curing behavior of the resol resin was studied by in situ Fourier transform infrared spectroscopy together with rheology tests. The chemorheological behavior of resol resins with a series of solvent contents was measured under isothermal conditions. The four parameters of empirical dual‐Arrhenius equation regarding isothermal resin viscosity and reaction rate constant were found to be functions of the solvent content. A simplified chemorheological model involving only three parameters of curing temperature, time, and solvent content was first established to facilely describe the viscosity during precuring process. The simulated viscosity results during isothermal curing process agreed well with the experimental data which shows the simplified chemorheological model can be utilized to describe the viscosity evolution and offer guidance for optimizing the injection process and improving the design flexibility of RTM process. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45282.
In situ doping of PANI nanocomposites by gold nanoparticles for high‐performance electrochemical energy storage
Authors: Tan Yongtao , Liu Yuansen , Kong Lingbin , Kang Long , Xu Changan , Ran Fen
Published: June 2017

Polyaniline (PANI) in situ doped with gold nanoparticles (Au/PANI) is synthesized by oxidative polymerization as electrode material for supercapacitor. The morphologies and structure of the obtained products are characterized by transmission electron microscopy, scanning electron microscopy, and Fourier transform infrared spectroscopy; and electrochemical behaviors were measured by electrochemical workstation. The results show that the nanocomposites of Au/PANI are fabricated with gold nanoparticles (nano‐Au) dispersed well in PANI bulk; and specific capacitance (SC) and rate ability of Au/PANI are improved compared to the pristine PANI due to the introduction of nano‐Au. With nano‐Au content increasing, SC first increase and then decrease and the maximum SC of Au/PANI nanocomposite is up to 462 F g−1 with the nano‐Au content of 1.64 wt %. Finally, both asymmetric and symmetric supercapacitor devices are assembled, exhibiting high energy densities of 8.95 and 4.17 Wh kg−1, respectively. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45309.
Do ad metaphors enhance or dilute the consumers' brand preferences? Exploring the moderating role of goal orientation
Authors: Kao Danny Tengti , Zhang Lei , Yu Annie Pei‐I , Wu Pei‐Hsun
Published: June 2017

This research aims to explore the impacts of ad metaphors and goal orientation on the relationship between brand commitment and attitudes toward the competitor brands. Results show that prevention‐focused consumers with high brand commitment do not exhibit differentially favorable attitudes toward the competitor brands, regardless of ad metaphors. In contrast, prevention‐focused consumers with low brand commitment exhibit more favorable attitudes toward competitor brands advocated by highly metaphorical ads than those advocated by low metaphorical ads. Moreover, promotion‐focused consumers exhibit more favorable attitudes toward competitor brands advocated by highly metaphorical ads than those advocated by low metaphorical ads, regardless of brand commitment.
New Prenylated ortho‐Dihydroxycoumarins from the Fruits of Ficus nipponica
Authors: Akihara Yui , Ohta Emi , Nehira Tatsuo , Ômura Hisashi , Ohta Shinji
Published: June 2017

Two new prenylated ortho‐dihydroxycoumarins, designated fipsomin (1) and fipsotwin (2), were isolated from the fruits of Ficus nipponica together with a known prenylated coumarin, apigravin (3). Their structures were established by spectroscopic data and X‐ray crystallographic analysis. Compound 1 exhibited antibacterial activity against Bacillus subtilis with an MIC value of 61 μm, while 2 and 3 showed very weak activity.
Menopause transition promotes distinct modulation of mRNAs and miRNAs expression in calvaria and bone marrow osteoblastic cells
Authors: Semeghini Mayara Sgarbi , de Azevedo Fernanda Grilo , Fernandes Roger Rodrigo , Assis Amanda Freire , Dernowsek Janaína Andrea , Rosa Adalberto Luiz , Siéssere Selma , Passos Geraldo Aleixo , Bombonato‐Prado Karina Fittipaldi
Published: June 2017

Investigation on functional genome research may contribute to the knowledge of functional roles of different mRNAs and miRNAs in bone cells of osteoporotic animals. Currently, few studies indicate the changes in gene modulation that osteoporosis causes in osteoblastic cells from different sites. Thus, the purpose of this investigation was to evaluate cell viability, alkaline phosphatase activity and modulation of mRNAs/miRNAs in osteoblastic cells from calvaria and bone marrow by means of microarray technology. Wistar female rats were divided in sham operated and ovariectomized groups. After 150 days of ovariectomy, cells were isolated from both sites to perform cell culture. Results showed that calvaria cells from ovariectomized rats had a decrease in viability when compared to control groups and to bone marrow cells from osteoporotic rats after 3 days. Alkaline phosphatase activity decreased in calvaria cells from ovariectomized rats whereas it was increased in bone marrow osteoblastic cells in the same group. Microarray data analysis showed 5447 differentially expressed mRNAs and 82 differentially expressed miRNAs in calvaria cells. The same way, 4399 mRNAs and 54 miRNAs were expressed in bone marrow cells. mRNAs associated with bone metabolism such as Anxa5, Sp7, Spp1, Notch1 were distinctively modulated in both sites, as well as miRNAs such as miR‐350, miR‐542‐3p, miR‐204‐5p, and miR‐30e‐3p. The RNA species identified in this study could be further used as targets for treatment or prevention of osteoporosis.
Monodisperse Nano‐Fe3O4 on α‐Al2O3 Catalysts for Fischer–Tropsch Synthesis to Lower Olefins: Promoter and Size Effects
Authors: Yuan Yong , Huang Shouying , Wang Hongyu , Wang Yifan , Wang Jian , Lv Jing , Li Zhenhua , Ma Xinbin
Published: June 2017

The Fischer–Tropsch synthesis to lower olefins (FTO) is a desirable nonpetroleum‐based route to produce basic chemicals. A novel two‐step method was applied to synthesize iron‐based supported catalysts, which is to prepare nano‐Fe3O4 first by thermal decomposition method and sequentially load them on α‐Al2O3 by impregnation. TEM and XRD results manifested that the controllable, uniform Fe3O4 nanoparticles are monodispersed on the surface of α‐Al2O3. H2‐TPR demonstrated that the reduction of Fe species was facilitated because of the weak interaction between Fe species and the support. These superior properties contribute to an enhanced catalytic activity and stability compared with the catalyst prepared by directly impregnating ammonium iron citrate on α‐Al2O3. Then, the effect of promoters was investigated at the same Fe loading and nanoparticle size. The appropriate addition of K could enhance the catalytic activity and suppress the secondary hydrogenation. On the contrary, S has a negative impact on CO conversion and strongly decreases C5+ selectivity. Particularly, the combination of K and S could obtain more pronounced CO conversion and higher lower olefins selectivity (≈40 %). Furthermore, size effects were explored by precisely tailoring the iron oxide particle size with the Fe loading kept constant. It was found that 12.0 nm nano‐Fe3O4 on α‐Al2O3 with or without K plus S promoters showed the best catalytic activity among the catalysts with different particle size.
Biodiesel Production from Waste Frying Oil by Ultrasound‐Assisted Transesterification
Authors: Maceiras Rocio , Alfonsín Víctor , Cancela Ángeles , Sánchez Ángel
Published: June 2017

The production of biodiesel as renewable, easily biodegradable, and nontoxic alternative to fossil fuels is expensive when it is derived from virgin vegetable oils. In this study, waste frying oil was used to produce biodiesel by ultrasound‐assisted transesterification. The reaction was carried out with methanol, and sodium hydroxide was used as catalyst. This method is an efficient, timesaving, and economically functional tool since the process can be carried out in a shorter reaction time, at lower temperature, and with a lower quantity of catalysts compared to other techniques. The biodiesel produced by this method was analyzed for its fatty acid methyl ester composition, density, moisture and volatile matter content, acid value, saponification value, iodine value, distillation curves, and cetane number.
Multilayer‐Cake WS2/C Nanocomposite as a High‐Performance Anode Material for Lithium‐Ion Batteries: “Regular” and “Alternate”
Authors: Zou Jiaming , Liu Cheng , Yang Zhanxu , Qi Chengyuan , Wang Xiaorong , Qiao Qingdong , Wu Xian , Ren Tieqiang
Published: June 2017

A multilayer‐cake WS2/C nanocomposite was successfully synthesized through an intercalation‐transformation method, in which few‐layered WS2 and carbon were sandwiched in an alternating sequence. As a benefit of the electronic conductivity enhanced by the interlayer carbon and the unique “regular” and “alternate” architecture, the WS2/C nanocomposite showed promising performance as an anode material for lithium‐ion batteries. The nanocomposite demonstrated a high capacity of 829.4 mAh⋅g−1 at 0.3 A⋅g−1 after 140 cycles and it could still deliver a stable capacity of about 326.8 mAh⋅g−1 at a current density of 8.0 A⋅g−1.
Design and Synthesis of a Series of Novel Mixed Borate and Carbonate Halides
Authors: Liu Lili , Yang Yun , Huang Junben , Dong Xiaoyu , Yang Zhihua , Pan Shilie
Published: June 2017

Combining different functional units together has been regarded as the most ideal strategy to design and synthesize new inorganic materials. Based on numerous experiments, it was possible to assemble three kinds of anion groups together and find a series of novel mixed borate and carbonate halides, Rb9[B4O5(OH)4]3(CO3)X⋅7 H2O (X=Cl, Br, and I) and K9[B4O5(OH)4]3(CO3)X⋅7 H2O (X=OH and I). Based on the structural template of these compounds, we also obtained the NaRb6[B4O5(OH)4]3X (X=OH, I) crystals through replacement of the CO3 group with the NaO6 octahedron, which results in the crystal structural changes from P
2c to R32. In addition, it has been confirmed that the replacement of the CO3 group by the alkali cation has an influence on the band gaps, according to the experimental results and theoretical calculations. Meanwhile, millimeter‐scale crystals of Rb9[B4O5(OH)4]3(CO3)I⋅7 H2O, K9[B4O5(OH)4]3(CO3)I⋅7 H2O, K9[B4O5(OH)4]3(CO3)OH⋅7 H2O and NaRb6[B4O5(OH)4]3OH were also obtained after adjusting their growing conditions.
Mesoporous Silica Scaffolds as Precursor to Drive the Formation of Hierarchical SAPO‐34 with Tunable Acid Properties
Authors: Miletto Ivana , Paul Geo , Chapman Stephanie , Gatti Giorgio , Marchese Leonardo , Raja Robert , Gianotti Enrica
Published: June 2017

Using a distinctive bottom‐up approach, a hierarchical silicoaluminophosphate, SAPO‐34, has been synthesized using cetyl trimethylammonium bromide (CTAB) encapsulated within ordered mesoporous silica (MCM‐41) that serves as both the silicon source and mesoporogen. The structural and textural properties of the hierarchical SAPO‐34 were contrasted against its microporous analogue, and the nature, strength, and accessibility of the Brønsted acid sites were studied using a range of physicochemical characterization tools; notably probe‐based FTIR and solid‐state magic angle spinning (SS MAS) NMR spectroscopies. Whilst CO was used to study the acid properties of hierarchical SAPO‐34, bulkier molecular probes (including pyridine, 2,4,6‐trimethylpyridine and 2,6‐di‐tert‐butylpyridine) allowed particular insight into the enhanced accessibility of the acid sites. The activity of the hierarchical SAPO‐34 catalyst was evaluated in the industrially‐relevant, acid‐catalyzed Beckmann rearrangement of cyclohexanone oxime to ϵ‐caprolactam, under vapor‐phase conditions. These catalytic investigations revealed a significant enhancement in the yield of ϵ‐caprolactam using our hierarchical SAPO‐34 catalyst compared to SAPO‐34, MCM‐41, or a mechanical mixture of these two phases. The results highlight the merits of our design strategy for facilitating enhanced mass transfer, whilst retaining favorable acid site characteristics.
Study on the combustion and NOx emission characteristics of low rank coal in a circulating fluidized bed with post‐combustion
Authors: Zhou Tuo , Lu Qinggang , Cao Yong , Wu Guanglong , Li Shiyuan
Published: June 2017

The combustion and NOx emission characteristics of low rank coal have been investigated in a circulating fluidized bed test plat, which was composed of a circulating fluidized bed (CFB) and post‐combustion chamber (PCC). The effects of the air stoichiometric ratio in the circulating fluidized bed furnace and air arrangement in the post‐combustion chamber were studied. In the optimized experimental condition, with the air stoichiometric ratio in the CFB (λCFB) at 0.963, and post‐combustion air (PCA) injected into the PCC using ports PCA1 and PCA3, the NOx emission was reduced to 48.7 mg/m3. The conversion of the fuel‐nitrogen in the coal into NOx did not occur under the reducing atmosphere in the circulating fluidized bed furnace. The final quantity of NOx generated from the combustion in the PCC was formed from gaseous HCN and residual nitrogen in fly ash, which flowed with flue gas from the CFB furnace. Enhancing the burnout fraction of coal in the CFB and using the air arrangement in the PCC could effectively reduce the final emission of NOx.
Identification of robust focus measure functions for the automated capturing of focused images from Ziehl–Neelsen stained sputum smear microscopy slide
Authors: Shah M.I. , Mishra S. , Sarkar M. , Rout C.
Published: June 2017

Capturing of the best‐focused image using focus measure function (FMF) from a stack of images acquired at different focus distances is a crucial step in automatic microscopy development. Detection of bacilli present in Ziehl–Neelsen (ZN) stained sputum smears conventional microscope (CM) images is critical to disease diagnosis. Studies have revealed that the performances of FMFs are sensitive to image contents and background noise. In this article, 24 diverse FMFs were implemented on 31 stacks of CM's field of view images acquired from three different microscopes to determine the best‐focused one. Seven FMFs achieved the accuracies of greater than 90%. Accuracy, focus error, and false maxima were calculated for each FMF, and overall score and ranking were also calculated for better interpretation. Preprocessing techniques such as filtering and image distortions (noise, contrast, saturation, illumination, etc.) were performed to evaluate the robustness of every FMF. Gaussian derivative, steerable filters, Tenengrad, and Hemli and Scherer's mean FMFs were identified as the most robust and accurate functions with the accuracy >90%. These FMFs have a relatively less focus error and false maxima rate. Full widths at half maximum of these four FMFs were also computed to determine their efficacy for the optimization process. These four FMFs can be implemented for automated capturing of the image from ZN‐stained sputum smear slide. Gaussian derivative FMF can also be used effectively for both CM and fluorescence microscope's field of view image stacks to determine the best‐focused one from each stack. © 2017 International Society for Advancement of Cytometry
Standardized high‐sensitivity flow cytometry testing for paroxysmal nocturnal hemoglobinuria in children with acquired bone marrow failure disorders: A single center US study
Authors: Donohue Rachel E. , Marcogliese Andrea N. , Sasa Ghadir S. , Elghetany M. Tarek , Redkar Alka A. , Bertuch Alison A. , Curry Choladda V.
Published: June 2017

Background

Paroxysmal nocturnal hemoglobinuria (PNH) is a rare, acquired hematopoietic stem cell disorder that has not been well‐documented in children, particularly those with acquired bone marrow failure disorders (ABMFD)—acquired aplastic anemia (AAA) and myelodysplastic syndrome (MDS). Therefore, we sought to determine the prevalence of PNH populations in children with ABMFD.

Methods

PNH testing was performed in children with an ABMFD diagnosis using high sensitivity (≥0.01%) fluorescent aerolysin (FLAER)‐based assay according to 2010 International Clinical Cytometry Society (ICCS) PNH Consensus Guidelines and 2012 Practical PNH Guidelines. FLAER/CD64/CD15/CD24/CD14/CD45 and CD235a/CD59 panels were used for white blood cell and red blood cell testing, respectively.

Results

Thirty‐seven patients with ABMFD (34 AAA, 3 MDS) were included (17M/20F, age 2–18 years, median 9 years). PNH populations were identified in 17 of 37 (46%) patients. Of the 17 patients with PNH populations identified, 7 were PNH clones (>1% PNH population), and 10 had minor PNH population or rare cells with PNH phenotype (≤1% PNH population).

Conclusions

This is the first study to use a standardized high‐sensitivity FLAER‐based flow cytometry assay and the recommended cutoff of 0.01% to identify cells with PNH phenotype in pediatric patients with ABMFD in the United States. The identification of a PNH population in 46% of ABMFD supports the recommendation for high sensitivity PNH testing in children with these disorders. As a less sensitive assay using a cutoff of ≥ 1% PNH population would have missed 10 (27%) patients with minor PNH population or rare cells with PNH phenotype. © 2017 International Clinical Cytometry Society
On detecting TCP path saturation in LTE networks
Authors: Schulte Lennart , Boz Eren , Varis Nuutti , Manner Jukka
Published: June 2017

A significant part of the data in mobile networks is transferred as bulk data with transmission control protocol (TCP) as apps or video downloads. When the video takes too long to start, users are more prone to abandon watching, which eventually leads to decreased revenue for the content provider. While it is widely known that TCP has performance issues in mobile networks, end‐to‐end measurement studies, especially based on real data, should be studied further.

In this paper, we measure the efficiency of TCP in long term evolution (LTE) networks and provide an analysis on the reasons of unoptimal performance based on 235 000 measurements from deployed mobile networks. For this purpose, we propose an algorithm for LTE networks that detects the periods during a TCP connection where the path is saturated, ie, the network is the limiting factor. From this data, we find that TCP is a source for unoptimal performance, and assumed reasons from other papers are partly confirmed and partly refuted. Most importantly, we find that the amount of queueing on the path has significant impact on the achieved protocol performance. Lastly, we learn from the LTE experience and put the findings into a 5G context.
Environmental stress linked to consumption of maternally derived carotenoids in brown trout embryos (Salmo trutta)
Authors: Wilkins Laetitia G. E. , Marques da Cunha Lucas , Glauser Gaëtan , Vallat Armelle , Wedekind Claus
Published: June 2017

The yellow, orange, or red colors of salmonid eggs are due to maternally derived carotenoids whose functions are not sufficiently understood yet. Here, we studied the significance of naturally acquired carotenoids as maternal environmental effects during embryo development in brown trout (Salmo trutta). We collected eggs from wild females, quantified their egg carotenoid content, fertilized them in vitro in full‐factorial breeding blocks to separate maternal from paternal effects, and raised 3,278 embryos singly at various stress conditions until hatching. We found significant sire effects that revealed additive genetic variance for embryo survival and hatching time. Dam effects were 5.4 times larger than these sire effects, indicating that maternal environmental effects play an important role in determining embryo stress tolerance. Of the eight pigment molecules that we targeted, only astaxanthin, zeaxanthin (that both affected egg redness), and lutein were detected above our confidence thresholds. No strong link could be observed between carotenoid content in unfertilized eggs and embryo mortality or hatching timing. However, the consumption of carotenoids during our stress treatment was negatively correlated to embryo survival among sib groups and explained about 14% of the maternal environmental variance. We conclude that maternally derived carotenoids play a role in the ability of embryos to cope with environmental stress, but that the initial susceptibility to the organic pollution was mainly determined by other factors.
Beyond predator satiation: Masting but also the effects of rainfall stochasticity on weevils drive acorn predation
Authors: Espelta Josep Maria , Arias‐LeClaire Harold , Fernández‐Martínez Marcos , Doblas‐Miranda Enrique , Muñoz Alberto , Bonal Raúl
Published: June 2017

Escaping seed predation is a classic “economy of scale” hypotheses (predator satiation hypothesis, Psh) to explain the selection for the synchronous production of massive and nil seed crops (masting) in plants. The Psh postulates that predator satiation occurs through a combination of (1) “functional satiation,” as not all seeds can be consumed during a massive crop, and (2) “numerical satiation,” as predator populations collapse during poor crop years. Many studies advocate for the Psh, but few have investigated the importance of masting compared to other factors for the control of predation extent. Namely, environmental cues prompting masting could also determine predator's success and, ultimately, influence directly and independently seed predation intensity. We explored this question in Mediterranean oaks, as they exhibit strong masting behavior; acorns are heavily predated upon by weevils; and rainfall stochasticity drives masting and the emergence of adult weevils from the soil. Results of two mid‐term studies (4 and 11 yr) showed that acorn production and predation were highly variable across years, while the abundance of adult weevils was positively related to autumn rainfall and to the number of infested acorns the previous years. Ultimately, acorn predation was negatively influenced by inter‐annual fluctuation of seed production (masting) yet, mainly and positively, prompted by autumn rainfall and acorn crop size (only in one site). Our results highlight the relevance of masting to reduce seed predation. Yet evidences that rainfall stochasticity directly determines the success of weevils, and it independently influences seed predation extent, indicate that environmental cues prompting masting may also fine‐tune the output of this reproductive behavior. Additionally, local differences suggest that the relevance of masting may change with tree characteristics (low vs. high seed production) and landscape structure (isolated vs. dense forests). We also discuss what can be the effects of increasing drought in Mediterranean areas for this antagonistic interaction, triggered by rainfall.
Habitat models to predict wetland bird occupancy influenced by scale, anthropogenic disturbance, and imperfect detection
Authors: Glisson Wesley J. , Conway Courtney J. , Nadeau Christopher P. , Borgmann Kathi L.
Published: June 2017

Understanding species–habitat relationships for endangered species is critical for their conservation. However, many studies have limited value for conservation because they fail to account for habitat associations at multiple spatial scales, anthropogenic variables, and imperfect detection. We addressed these three limitations by developing models for an endangered wetland bird, Yuma Ridgway's rail (Rallus obsoletus yumanensis), that examined how the spatial scale of environmental variables, inclusion of anthropogenic disturbance variables, and accounting for imperfect detection in validation data influenced model performance. These models identified associations between environmental variables and occupancy. We used bird survey and spatial environmental data at 2473 locations throughout the species' U.S. range to create and validate occupancy models and produce predictive maps of occupancy. We compared habitat‐based models at three spatial scales (100, 224, and 500 m radii buffers) with and without anthropogenic disturbance variables using validation data adjusted for imperfect detection and an unadjusted validation dataset that ignored imperfect detection. The inclusion of anthropogenic disturbance variables improved the performance of habitat models at all three spatial scales, and the 224‐m‐scale model performed best. All models exhibited greater predictive ability when imperfect detection was incorporated into validation data. Yuma Ridgway's rail occupancy was negatively associated with ephemeral and slow‐moving riverine features and high‐intensity anthropogenic development, and positively associated with emergent vegetation, agriculture, and low‐intensity development. Our modeling approach accounts for common limitations in modeling species–habitat relationships and creating predictive maps of occupancy probability and, therefore, provides a useful framework for other species.
Cyclopentadienyl Cobalt Complexes as Precatalysts for Electrocatalytic Hydrogen Evolution
Authors: Waldie Kate M. , Kim Sung‐Kwan , Ingram Andrew J. , Waymouth Robert M.
Published: June 2017

Electrocatalytic hydrogen evolution is reported with a series of dicationic cobalt complexes [CpCo(N^N)(CH3CN)](ClO4)2 (Cp = cyclopentadienyl; N^N = bipyridine, pyrazolylpyridine, phenylazopyridine) using N,N‐dimethylformamidinium buffer as the proton source in acetonitrile. The catalytic current profiles obtained for each complex are very similar to each other with overpotentials ranging from 1.2 to 1.4 V, which suggests a common active catalytic species. Further electrochemical studies demonstrate that these complexes are unstable under electrocatalytic conditions: the bidentate nitrogen ligand is readily lost upon reduction in the presence of acid, initially generating [CpCo(CH3CN)3]+, which undergoes further decomposition to surface‐adsorbed species that are responsible for the observed electrocatalysis.
Novel type of carbon‐centered antioxidants arylmethyl Meldrum's acids − inhibit free radicals
Authors: Mierina Inese , Jure Mara , Zeberga Sindija , Makareviciene Violeta , Zicane Daina , Tetere Zenta , Ravina Irisa
Published: June 2017

Monosubstituted Meldrum's acids are found out as a new class of powerful antioxidants. These compounds act as carbon radical scavengers due to the presence of acidic hydrogen in the moiety of cyclic 1,3‐dicarbonyl compound. The presence of phenol and benzylic moiety is favored, but these structural elements are not crucial for the antiradical activity in polar media. The antiradical and antioxidant activity of the substituted Meldrum's acids is not significantly affected by the substituents in the aromatic ring. The 5‐substituted 1,3‐dioxan‐4,6‐diones demonstrate high scavenging capacity of free radicals. The inhibition of DPPH and GO achieved even ∼100 and 80%, respectively. All substituted Meldrum's acids are better antioxidants than BHT, and activity of some of them even exceed vitamin C. It is found out that in polar media the compounds act via SPLET mechanism. Substituted Meldrum's acids turned out as powerful antioxidants for inhibition of oxidation processes of fatty acid alkyl esters, too. The oxidative stability of the last with the title compound additive was significantly higher than with BHT additive. It seems, that the antioxidant activity of the substituted Meldrum's acids in fatty acid esters is both due to benzylic position and 1,3‐dicarbonyl moiety.

Practical applications: Arylmethyl Meldrum's acids should be highlighted as potential antioxidants for increasing oxidative stability of various products containing, for example, esters of poly‐unsaturated fatty acids. It should be admitted that the structure of the title compounds can be widely modified by substituents in the aromatic ring without remarkable loss of antioxidant and antiradical activity, but other properties (like solubility) may be improved. In order to apply the title antioxidants into products like cosmetics additional tests regarding toxicity are required. However, these antioxidants can be recommended for increasing oxidative stability for products used in technique.

Monosubstituted Meldrum's acids act as carbon radical scavengers due to the presence of acidic hydrogen in the moiety of cyclic 1,3‐dicarbonyl compound. The substituted Meldrum's acids demonstrate high scavenging capacity of free radicals DPPH and GO. These compounds turned out as powerful antioxidants for inhibition of oxidation processes of fatty acid alkyl esters. The antioxidant activity of the substituted Meldrum's acids in fatty acid esters is both due to benzylic position and 1,3‐dicarbonyl moiety. Few of the monosubstituted Meldrum's acids were better antioxidants than BHT, TBHQ, α‐tocopherol, or vitamin C.
Painful swelling after a noxious event and the development of complex regional pain syndrome 1: A one‐year prospective study
Authors: Brunner F. , Bachmann L.M. , Perez R.S.G.M. , Marinus J. , Wertli M.M.
Published: June 2017

Background

The timing of diagnosis of complex regional pain syndrome (CRPS) 1 remains a challenge due to the large heterogeneity of clinical presentations. We describe the distribution and differences in outcomes and clinical manifestations between time points and patient groups with and without CRPS 1 following an initiating event.

Methods

Prospective cohort study with a consecutive registration of patients presenting with painful swelling of the affected extremity after an initiating event and follow‐up visits after 3, 6 and 12 months.

Results

Forty‐two patients were enrolled (37 females, mean age 55.1 years). At baseline, 35 participants (83%, females n = 30) fulfilled the diagnostic criteria for CRPS 1. At 3 months, 19 out of the initial 35 CRPS 1 patients (54%) did not meet the diagnostic criteria anymore. Besides our inclusion criteria of a painful swelling, early manifestations indicating a CRPS 1 primarily include an impaired quality of life (SF‐35, EQ5‐D), more pain (NRS, MPQ) and restricted range of motion.

Conclusions

CRPS 1 develops within 8 weeks following a noxious event. Although many CRPS 1 patients reach partial remission within the first 3 months, signs and symptoms do not improve significantly at 1 year. In order to identify prognostic risk factors large prospective cohort studies are needed.

Significance

This prospective cohort study follows patients with complaints most suspected for complex regional pain syndrome (CRPS) 1. CRPS 1 develops within 8 weeks following a noxious event. Although many CRPS 1 patients reach partial remission within the 3 months, symptoms do not improve significantly at 1 year.
Cortical and Trabecular Bone Microstructure Did Not Recover at Weight-Bearing Skeletal Sites and Progressively Deteriorated at Non-Weight-Bearing Sites During the Year Following International Space Station Missions
Authors: Vico Laurence , van Rietbergen Bert , Vilayphiou Nicolas , Linossier Marie-Thérèse , Locrelle Hervé , Normand Myriam , Zouch Mohamed , Gerbaix Maude , Bonnet Nicolas , Novikov Valery , Thomas Thierry , Vassilieva Galina
Published: June 2017

Risk for premature osteoporosis is a major health concern in astronauts and cosmonauts; the reversibility of the bone lost at the weight-bearing bone sites is not established, although it is suspected to take longer than the mission length. The bone three-dimensional structure and strength that could be uniquely affected by weightlessness is currently unknown. Our objective is to evaluate bone mass, microarchitecture, and strength of weight-bearing and non-weight-bearing bone in 13 cosmonauts before and for 12 months after a 4-month to 6-month sojourn in the International Space Station (ISS). Standard and advanced evaluations of trabecular and cortical parameters were performed using high-resolution peripheral quantitative computed tomography. In particular, cortical analyses involved determination of the largest common volume of each successive individual scan to improve the precision of cortical porosity and density measurements. Bone resorption and formation serum markers, and markers reflecting osteocyte activity or periosteal metabolism (sclerostin, periostin) were evaluated. At the tibia, in addition to decreased bone mineral densities at cortical and trabecular compartments, a 4% decrease in cortical thickness and a 15% increase in cortical porosity were observed at landing. Cortical size and density subsequently recovered and serum periostin changes were associated with cortical recovery during the year after landing. However, tibial cortical porosity or trabecular bone failed to recover, resulting in compromised strength. The radius, preserved at landing, unexpectedly developed postflight fragility, from 3 months post-landing onward, particularly in its cortical structure. Remodeling markers, uncoupled in favor of bone resorption at landing, returned to preflight values within 6 months, then declined farther to lower than preflight values. Our findings highlight the need for specific protective measures not only during, but also after spaceflight, because of continuing uncertainties regarding skeletal recovery long after landing. © 2017 American Society for Bone and Mineral Research.
G protein‐coupled receptor 84 controls osteoclastogenesis through inhibition of NF‐κB and MAPK signaling pathways
Authors: Park Ji‐Wan , Yoon Hye‐Jin , Kang Woo Youl , Cho Seungil , Seong Sook Jin , Lee Hae Won , Yoon Young‐Ran , Kim Hyun‐Ju
Published: June 2017

GPR84, a member of the G protein‐coupled receptor family, is found predominantly in immune cells, such as macrophages, and functions as a pivotal modulator of inflammatory responses. In this study, we investigated the role of GPR84 in receptor activator of nuclear factor‐κB ligand (RANKL)‐induced osteoclast differentiation. Our microarray data showed that GPR84 was significantly downregulated in osteoclasts compared to in their precursors, macrophages. The overexpression of GPR84 in bone marrow‐derived macrophages suppressed the formation of multinucleated osteoclasts without affecting precursor proliferation. In addition, GPR84 overexpression attenuated the induction of c‐Fos and nuclear factor of activated T cells, cytoplasmic 1 (NFATc1), which are transcription factors that are critical for osteoclastogenesis. Furthermore, knockdown of GPR84 using a small hairpin RNA promoted RANKL‐mediated osteoclast differentiation and gene expression of osteoclastogenic markers. Mechanistically, GPR84 overexpression blocked RANKL‐stimulated phosphorylation of IκBα and three MAPKs, JNK, ERK, and p38. GPR84 also suppressed NF‐κB transcriptional activity mediated by RANKL. Conversely, GPR84 knockdown enhanced RANKL‐induced activation of IκBα and the three MAPKs. Collectively, our results revealed that GPR84 functions as a negative regulator of osteoclastogenesis, suggesting that it may be a potential therapeutic target for osteoclast‐mediated bone‐destructive diseases.
Explosive and maximal strength before and 6 months after total hip arthroplasty
Authors: Friesenbichler Bernd , Casartelli Nicola C. , Wellauer Vanessa , Item‐Glatthorn Julia F. , Ferguson Stephen J. , Leunig Michael , Maffiuletti Nicola A.
Published: June 2017

Patients with unilateral hip osteoarthritis experience impairments in lower limb muscle function due to pain and disuse of the affected limb. The influence of hip osteoarthritis and subsequent total hip arthroplasty (THA) has mostly been evaluated by maximal strength tests, yet the functionally important explosive strength capabilities of hip and knee muscles are largely unknown. We aimed to evaluate hip and knee explosive and maximal strength in hip osteoarthritis patients before and after THA. Twenty‐one patients with unilateral hip osteoarthritis were evaluated before and 6 months after THA. They performed rapid maximal contractions of hip (flexor, extensor, abductor, adductor) and knee (flexor, extensor) muscles, from which explosive and maximal strength asymmetries were evaluated (involved versus uninvolved limb). Before THA, the involved limb showed significantly lower hip flexor, extensor, adductor, and knee extensor explosive and maximal strength compared to the uninvolved limb. Six months after THA surgery, hip flexor, extensor and adductor maximal and explosive strength asymmetries persisted, except for knee extensors. Explosive, but not maximal strength of hip abductors and knee extensors was lower in the involved limb before surgery and the reduced explosive strength capabilities may compromise daily living activities in hip osteoarthritis patients. After hip replacement, explosive strength asymmetries of knee extensors resolved, yet lingering asymmetries in hip flexor muscles should receive focused attention during postoperative rehabilitation. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 36:425–431, 2018.
Evaluation of the extent of initial Maillard reaction during cooking some vegetables by direct measurement of the Amadori compounds
Authors: Yu Jiahao , Zhang Shuqin , Zhang Lianfu
Published: June 2017

BACKGROUND

During vegetable cooking, one of the most notable and common chemical reactions is the Maillard reaction, which occurs as a result of thermal treatment and dehydration. Amadori compound determination provides a very sensitive indicator for early detection of quality changes caused by the Maillard reaction, as well as to retrospectively assess the heat treatment or storage conditions to which the product has been subjected. In this paper, a hydrophilic interaction liquid chromatographic–electrospray ionization–tandem mass spectrometric method was developed for the analysis of eight Amadori compounds, and the initial steps of the Maillard reaction during cooking (steaming, frying and baking) bell pepper, red pepper, yellow onion, purple onion, tomato and carrot were also assessed by quantitative determination of these Amadori compounds.

RESULTS

These culinary treatments reduced moisture and increased the total content of Amadori compounds, which was not dependent on the type of vegetable or cooking method. Moreover, the effect of steaming on Amadori compound content and water loss was less than that by baking and frying vegetables. Further studies showed that the combination of high temperature and short time may lead to lower formation of Amadori compounds when baking vegetables.

CONCLUSION

Culinary methods differently affected the extent of initial Maillard reaction when vegetables were made into home‐cooked products. © 2017 Society of Chemical Industry
Digestible indispensable amino acid score (DIAAS) and protein digestibility corrected amino acid score (PDCAAS) in oat protein concentrate measured in 20‐ to 30‐kilogram pigs
Authors: Abelilla Jerubella J , Liu Yanhong , Stein Hans H
Published: June 2017

BACKGROUND

Oat protein concentrate is often used in human food, but the quality of this protein has not been characterized. Therefore, the objectives of this experiment were to determine the standardized ileal digestibility (SID) of crude protein (CP) and amino acids (AA) in oat protein concentrate and to determine differences in protein quality estimates between the protein digestibility‐corrected AA score (PDCAAS) and the digestible indispensable AA score (DIAAS) when using growing pigs for both measurements.

RESULTS

For infants, the most limiting AA in oat protein concentrate was the aromatic AA (Phe + Tyr), for which the DIAAS value was 41 and the PDCAAS was 43. For children (6 months to 3 years) and children older than 3 years, the most limiting AA in oat protein concentrate was Lys, for which the DIAAS was 56 and 67 and the PDCAAS was 58 and 69, respectively.

CONCLUSION

The DIAAS value for oat protein concentrate was close to the calculated value for PDCAAS, but below the recommended intake for protein. Therefore, to satisfy the daily human AA requirement, oat protein needs to be complemented by other proteins of higher quality and specifically with greater lysine concentrations. © 2017 Society of Chemical Industry
Brazilian Capsicum peppers: capsaicinoid content and antioxidant activity
Authors: Bogusz Stanislau , Libardi Silvia H , Dias Fernanda FG , Coutinho Janclei P , Bochi Vivian C , Rodrigues Daniele , Melo Arlete MT , Godoy Helena T
Published: June 2017

BACKGROUND

Capsicum peppers are known as a source of capsaicinoids, phenolic compounds and antioxidants. Brazilian Capsicum peppers are important spices used in foods worldwide. However, little information is available on the chemical composition and antioxidant activity of these peppers.

RESULTS

Capsaicin, dihydrocapsaicin, total phenolic compounds and antioxidant activity were investigated in extracts of three Brazilian peppers: Capsicum frutescens, C. chinense and C. baccatum var. pendulum, in two different harvest years and at two ripening stages. The bioactive compound content was dependent on harvest year, and changes in the concentration profiles were found for capsaicin. Mature fruits of C. chinense harvested in the first year had the highest capsaicin concentration (2.04 mg g−1 fresh pepper), and mature fruits of C. frutescens harvested in the same first year had the highest dihydrocapsaicin content (0.95 mg g−1 fresh pepper). Mature fruits of C. frutescens harvested in the first year showed the major total phenolic compound content (2.46 mg g−1 fresh pepper). The total phenolic compound content was directly related to antioxidant activity.

CONCLUSION

Our results suggest that phenolic compounds significantly contribute to the antioxidant activity of the investigated peppers. Also, these data add valued novel information that enhances current knowledge of Brazilian pepper fruits. © 2017 Society of Chemical Industry
Basal cell carcinoma pathogenesis and therapy involving hedgehog signaling and beyond
Authors: Bakshi Anshika , Chaudhary Sandeep C. , Rana Mehtab , Elmets Craig A. , Athar Mohammad
Published: June 2017

Basal cell carcinoma (BCC) of the skin is driven by aberrant hedgehog signaling. Thus blocking this signaling pathway by small molecules such as vismodegib inhibits tumor growth. Primary cilium in the epidermal cells plays an integral role in the processing of hedgehog signaling‐related proteins. Recent genomic studies point to the involvement of additional genetic mutations that might be associated with the development of BCCs, suggesting significance of other signaling pathways, such as WNT, NOTCH, mTOR, and Hippo, aside from hedgehog in the pathogenesis of this human neoplasm. Some of these pathways could be regulated by noncoding microRNA. Altered microRNA expression profile is recognized with the progression of these lesions. Stopping treatment with Smoothened (SMO) inhibitors often leads to tumor reoccurrence in the patients with basal cell nevus syndrome, who develop 10‐100 of BCCs. In addition, the initial effectiveness of these SMO inhibitors is impaired due to the onset of mutations in the drug‐binding domain of SMO. These data point to a need to develop strategies to overcome tumor recurrence and resistance and to enhance efficacy by developing novel single agent‐based or multiple agents‐based combinatorial approaches. Immunotherapy and photodynamic therapy could be additional successful approaches particularly if developed in combination with chemotherapy for inoperable and metastatic BCCs.
Approximate solutions of partial differential equations by some Meshfree Greedy Algorithms
Authors: Fadaei Yasin , Moghadam Mahmoud Mohseni
Published: June 2017

In this article, we use some greedy algorithms to avoid the ill‐conditioning of the final linear system in unsymmetric Kansa collocation method. The greedy schemes have the same background, but we use them in different settings. In the first algorithm, the optimal trial points for interpolation obtained among a huge set of initial points are used for numerical solution of partial differential equations (PDEs). In the second algorithm, based on the Kansa's method, the PDE is discretized to a finite number of test functional equations, and a greedy sparse discretization is applied for approximating the linear functionals. Each functional is stably approximated by some few trial points with an acceptable accuracy. The third greedy algorithm is used to generate the test points. This paper shows that the greedily selection of nodes yields a better conditioning in contrast with usual full meshless methods. Some well‐known PDE examples are solved and compared with the full unsymmetric Kansa's technique. © 2017 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 33: 1884–1899, 2017