bluuebunny/crossref_metadata_2025 huggingface dataset:
NiFe Alloyed Nanoparticles Encapsulated in Nitrogen Doped Carbon Nanotubes for Bifunctional Electrocatalysis Toward Rechargeable Zn‐Air Batteries
Authors: Chen Yinghuan , Peng Jin , Duan Wentao , He Guoqiang , Tang Zhenghua
Published: September 2019

Developing cost‐effective, efficient and durable electrocatalysts to replace the high cost and low poison resistant platinum‐group‐metal (PGM) catalysts to boost the oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) is critical for promoting the practical performance of zinc‐air batteries (ZABs). Herein, a series of NiFe alloyed nanoparticles encapsulated in nitrogen‐doped carbon nanotubes (NixFe100−x@N‐CNTs, where x denotes the Ni ratio in NiFe alloys) have been fabricated as bifunctional catalysts for both OER and ORR. Among the series, the Ni50Fe50@N‐CNTs sample exhibited the best oxygen reversible electrocatalytic performance, of which it possessed an overpotential of 318 mV at 10 mA cm−2 for OER and a half‐wave potential of 0.86 V for ORR. The ZAB cell using Ni50Fe50@N‐CNTs as an air‐cathode also showed a power density of 203.6 mW cm−2, and a specific capacity of 778 mA h g−1, outperforming the noble‐metal‐based Pt/C+IrO2 catalyst. In addition, such ZAB cell also demonstrated a superlong stable rechargeability over 200 h without structural deterioration, presenting promises for pushing forward into practical applications.
Radical Difunctionalization of Alkenes with Iododifluoromethyl Ketones Under Ni‐Catalysis
Authors: Zhang Tianyu , Pan Jun , Duan Jin , Wu Jingjing , Zhang Wei , Wu Fanhong
Published: September 2019

Ni‐catalyzed radical difunctionalization of alkenes with iododifluoromethyl ketones was realized for the synthesis of α,α‐difluoroketones. This reaction can also be used for the construction of analogs containing 5‐membered heterocycles through radical addition and sequenced cyclization reactions.
Aqueous‐Phase Selective Oxidation of Methane with Oxygen over Iron Salts and Pd/C in the Presence of Hydrogen
Authors: Kang Jongkyu , Park Eun Duck
Published: September 2019

The front cover artwork for Issue 17/2019 is provided by Jongkyu Kang and Prof. Eun Duck Park at Ajou University (Republic of Korea). The image shows the catalyst system composed of homogeneous iron salt and heterogeneous Pd/C which are responsible for aqueous‐phase methane oxidation with oxygen in the presence of hydrogen even at low temperatures near 0 °C. See the Communication itself at https://doi.org/10.1002/cctc.201900919.
Constructing 0D FeP Nanodots/2D g‐C3N4 Nanosheets Heterojunction for Highly Improved Photocatalytic Hydrogen Evolution
Authors: Zhao Chengxiao , Tang Hua , Liu Wei , Han Chenhui , Yang Xiaofei , Liu Qinqin , Xu Jingsan
Published: September 2019

Two‐dimensional polymeric graphitic carbon nitride (2D g‐C3N4) nanostructures have emerged as a very promising family of photocatalysts for hydrogen evolution from water. Nonetheless, fast recombination of photogenerated charge carriers and the sluggish kinetics of hydrogen evolution reaction (HER) result in unsatisfied solar‐to‐hydrogen efficiency. It is thus greatly encouraging to explore low‐cost and high‐performance co‐catalysts to accelerate the charge transport and to improve the catalytic performance. In this work, for the first time, we report on the fabrication of ultra‐small zero‐dimensional (0D) FeP nanodots anchored on layered 2D g‐C3N4 nanosheets with well‐defined nanostructures and intimate 0D/2D contact interface. The outstanding feature of the material is that the obtained multidimensional heterojunction photocatalysts reveal highly efficient visible‐light‐responsive HER performance in the absence of noble metals. Under an optimal percentage of 4 wt. % FeP, the FeP/g‐C3N4 hybrid showed a remarkable hydrogen‐evolving rate of 215 μmol g−1 h−1 and excellent recycling stability, surpassing noble‐metal Pt modified g‐C3N4 (155 μmol g−1 h−1). The enhancement in HER activity is attributed to the synergistic effects of FeP nanocrystals on the improvement of light‐harvesting property in the visible light region and the acceleration of charge carrier dynamics by well‐constructed interfaces.
Numerical Investigation of Degassing Behavior of Highly Viscous Non‐Newtonian Fluids under Stirring
Authors: Ma Qianli , Shang Chunli , Zhang Guojun , Fang Haisheng
Published: September 2019

A method for accelerating bubble removal in non‐Newtonian liquids by forced stirring is proposed. Numerical simulations based on an Eulerian‐Eulerian multiphase model are performed to test its feasibility for various liquids including shear‐thickening, shear‐thinning, and Newtonian ones. Effects of the rotating speed of the stirrer and rheological properties of liquids on the degassing efficiency are evaluated, and the influencing mechanisms are analyzed in detail. The feasible regions of degassing in shear‐thinning liquids covering a certain range of viscosities are determined, from which one can easily decide the optimal rotating speed given the viscosity of liquids. The results provide a new idea of efficient degassing in shear‐thinning liquids for researchers and engineers.
Aromatic and Antiaromatic Pathways in Triphyrin(2.1.1) Annelated with Benzo[b]heterocycles
Authors: Bartkowski Krzysztof , Dimitrova Maria , Chmielewski Piotr J. , Sundholm Dage , Pawlicki Miłosz
Published: September 2019

Understanding of the aromatic properties and magnetically induced current densities of highly conjugated chromophores is important when designing molecules with strongly delocalized electronic structure. Linear extension of the triphyrin(2.1.1) skeleton with an annelated benzo[b]heterocycle fragment modifies the aromatic character by extending the electron delocalization pathway. Two‐electron reduction leads to an antiaromatic triphyrin(2.1.1) ring and an aromatic benzo[b]heterocycle subunit. Current‐density calculations provide detailed information about the observed pathways and their strengths.
Performance of the Afirma genomic sequencing classifier versus gene expression classifier: An institutional experience
Authors: Wei Shuanzeng , Veloski Colleen , Sharda Pankaj , Ehya Hormoz
Published: September 2019

Background

The use of fine‐needle aspiration (FNA) to triage thyroid nodules has resulted in a significant reduction in thyroid surgery. However, approximately one‐third of FNA specimens fall into the “indeterminate” category. The Afirma gene expression classifier (GEC) has been used to identify benign nodules with a high sensitivity and negative predictive value. However, the specificity and positive predictive value of the “suspicious” category are low. The updated Afirma genomic sequencing classifier (GSC) has been reported to demonstrate increased specificity while maintaining a high sensitivity and negative predictive value.

Methods

The authors retrospectively investigated 272 indeterminate thyroid FNA specimens (Bethesda categories III and IV) from nodules measuring >1 cm using the Afirma GEC or GSC tests (July 2012‐January 2019).

Results

Of the 194 nodules tested using the Afirma GEC, a benign result was obtained in 88 cases (45.4%). In comparison, 52 of 78 FNA samples (66.7%) tested using GSC yielded a benign result (P = .002). In the GEC group, there were 31 cases with oncocytic cytology, 5 of which (16.1%) were benign on Afirma and 26 of which (83.9%) were suspicious on Afirma. In contrast, in the GSC group, there were 10 cases with oncocytic cytology, 8 of which (80%) were benign on Afirma and only 2 of which (20%) were found to be suspicious on Afirma (P < .001). The positive predictive value of the GSC group (57.1%) was higher than that of the GEC group (36.7%); however, there was no statistical significance noted (P = .15).

Conclusions

A larger percentage of indeterminate thyroid FNA specimens were classified as benign using the Afirma GSC compared with the Afirma GEC, especially among samples with oncocytic features. The Afirma GSC appears to have a higher benign call rate compared with the Afirma GEC.
Rapid Tagging of Human Proteins with Fluorescent Reporters by Genome Engineering using Double‐Stranded DNA Donors
Authors: Paix Alexandre , Rasoloson Dominique , Folkmann Andrew , Seydoux Geraldine
Published: September 2019

Tagging proteins with fluorescent reporters such as green fluorescent protein (GFP) is a powerful method to determine protein localization, especially when proteins are tagged in the endogenous context to preserve native genomic regulation. However, insertion of fluorescent reporters into the genomes of mammalian cells has required the construction of plasmids containing selection markers and/or extended sequences homologous to the site of insertion (homology arms). Here we describe a streamlined protocol that eliminates all cloning steps by taking advantage of the high propensity of linear DNAs to engage in homology‐directed repair of DNA breaks induced by the Cas9 RNA‐guided endonuclease. The protocol uses PCR amplicons, or synthetic gene fragments, with short homology arms (30‐40 bp) to insert fluorescent reporters at specific genomic locations. The linear DNAs are introduced into cells with preassembled Cas9‐crRNA‐tracrRNA complexes using one of two transfection procedures, nucleofection or lipofection. The protocol can be completed under a week, with efficiencies ranging from 0.5% to 20% of transfected cells depending on the locus targeted. © 2019 The Authors.
Scale and sense of place among urban dwellers
Authors: Ardoin Nicole M. , Gould Rachelle K. , Lukacs Heather , Sponarski Carly C. , Schuh Janel S.
Published: September 2019

Place connections are core to being human: Every person lives in, and thus has direct experience of, at least one place and likely of numerous places throughout a lifetime. Sense of place—or the meanings, knowledge, and bonds that arise from the biophysical, social, and political–economic aspects of places—in turn influences people's interactions with those places. Of particular interest to researchers, practitioners, and policymakers, such interactions can impact place‐protective, stewardship, or conservation behaviors. However, how sense of place develops and what it represents is shifting in today's rapidly urbanizing, globalizing world. Especially when considering the integrated social–ecological context, questions related to how sense of place forms and is enacted in urban settings and at a range of geographic scales are challenging to study. Our study addresses this dynamic space: We examined how people's place connections intersect with their notions of geographic scale and levels of urbanity. Specifically, we conducted a 1201‐person randomized telephone survey in the San Francisco Bay Area ecoregion of California, USA, to explore how sense of place varies by (1) the scale of what people consider to be their place, and (2) the urbanity of where people live. In comparison with respondents who perceived their place as the larger‐scale ecoregion, we found that respondents who perceived their place as primarily focused on the urban area rated their connection to the biophysical aspects of place (the plants, animals, and landscape‐related elements) lower. Similarly, overall, respondents who lived in urban areas rated their connections to the biophysical aspects of place lower than did respondents who lived in non‐urban areas. Our findings suggest the importance of encouraging conceptualizations of place at broader geographic scales and, particularly, of supporting notions of urban spaces that stretch beyond urban boundaries. We also call for supporting increased engagement with urban nature, especially among residents of urban areas.
Efficacy of immunosuppressants with bridge vasodilator therapy in severe lupus erythematosus‐associated pulmonary arterial hypertension
Authors: Sanges Sébastien , Savale Laurent , Lamblin Nicolas , Rémy‐Jardin Martine , Humbert Marc , Sobanski Vincent
Published: September 2019

Optimal management of systemic lupus erythematosus (SLE)‐associated pulmonary arterial hypertension (PAH) remains unclear. Our observation describes the case of a 31‐year‐old SLE patient presenting with cardiogenic shock revealing severe PAH, in which a therapeutic scheme combining immunosuppressants (pulse cyclophosphamide and corticosteroids) and PAH‐specific drugs (bosentan, tadalafil, and epoprostenol) led to a complete normalization of pulmonary haemodynamics and allowed a progressive weaning of PAH vasodilators. This case report supports the efficacy of immunosuppressants and use of PAH‐specific therapy as a bridge therapy in severe SLE‐PAH. Further studies on larger population are required to confirm these findings.
Effect of the elapsed time between sampling and formalin fixation on the N‐glycosylation profile of mouse tissue specimens
Authors: Donczo Boglarka , Kiraly Gabor , Guttman Andras
Published: September 2019

Formalin‐fixed, paraffin‐embedded (FFPE) samples are generally used for histology‐study, however, they also possess important molecular diagnostics information. While it has been reported that the N‐glycan moieties of glycoproteins is not affected by the FFPE process, no information is available about the effect of the elapsed time between sampling and fixation on the resulting N‐glycosylation profile. In this study, lung, brain, heart, spleen, liver, kidney, and intestine mouse tissue specimens were used for N‐glycan profiling analysis and the elapsed sampling time effect was investigated with the lung tissue. N‐glycan extraction from the tissue samples was performed by glycoprotein retrieval from the FFPE specimens using radioimmunoprecipitation assay (RIPA) buffer followed PNGase F digestion. The released oligosaccharides were fluorophore labeled and analyzed by capillary electrophoresis‐laser induced fluorescent detection (CE‐LIF). N‐glycosylation profiles of freshly collected lung‐tissue samples (zero time point), as well as 1 and 2 h after sampling were compared by carbohydrate profiling and exoglycosidase treatment based deep glycomic analysis. It was found that up to two hours of room temperature storage of tissue specimens apparently did not cause changes in the N‐glycosylation profiles of complex carbohydrates, but resulted in considerable decrease in the amount of linear glucose oligomers and high mannose type glycans present in the samples.
Cognitive spectrum access with energy harvesting primary user and best secondary user selection
Authors: Zhai Chao , Zheng Lina , Yu Zhiyuan
Published: September 2019

Energy harvesting and spectrum sharing are promising techniques to improve the energy and spectral efficiency of wireless networks. In this work, we propose a two‐phase spectrum sharing scheme with multiple secondary users (SUs) coexisting with an energy harvesting primary user (PU). In Phase I, along with a power beacon transferring wireless power to PU, an SU is selected to transmit data using its maximal power, from which the interference can help charge PU. In Phase II, PU will transmit data using its harvested energy and, meanwhile, another SU is selected to transmit data with a controlled power under an interference constraint of primary system. Particularly, if PU has not harvested any energy in Phase I, it will keep silent in Phase II, and an SU is selected to transmit using its maximal power. Numerical results show that our scheme can achieve a reasonably good throughput for SUs while improving the performance of primary system.
Energy Audits and Efficiency Rebates Drive Energy Consumer Satisfaction
Authors: Mueller Thomas , Hassler Edgar , Cazier Joseph , Russell Jamie
Published: September 2019

At a recent consortium of energy executives, it was agreed transparent messaging from power companies to consumers must become a top priority if energy initiatives related to power conservation and carbon emission reduction can occur. Traditionally, utility companies perceive their role as legal, franchised providers of consistent, reliable energy. Those deliverables still matter. However, contemporary and social media–savvy energy customers want real‐time communication and low‐touch interactions with their energy providers. The timing is right for power providers to become part of the environmental stewardship conversation. It has been documented by environmental researchers there is a heightened awareness regarding the human effect on climate change. Consumer messaging provided by energy producers might be in the form of climate change as an environmental issue, health concern, or public security matter.
Synthesis and luminescent properties of polymer‐silica multilayer‐encapsulated perovskite quantum dots for optoelectronics
Authors: Liu Shuang‐De , Chen Teng‐Ming
Published: September 2019

Hydrophobic all‐inorganic perovskite quantum dots (IPQDs) CsPbX3 (X = Cl, Br, and I) were synthesized using conventional solution methods. IPQDs are potential materials for lasers, solar cells, and displays because of their narrow full width at half‐maximum, optically tunable wavelength, and great photoluminescence quantum yield. Their shortcomings are structurally unstable and moisture sensitive. To overcome the poor stability, we have developed a chemical modification to form GQD + PMAO@SiO2 that enhances their photoluminescence quantum yield (from 60 to ~90%), thermal stability (from 60 to ~90°C), and photochemical stability. The combination of the green‐emitting GQD + PMAO@SiO2 and red‐emitting RQD + PMAO with a 450 nm blue InGaN‐based LED chip was used to fabricate a white light emitting diode with the correlated color temperature (CCT) value of 6,943 K and Commission Internationale del'Eclairage of (0.312, 0.290).
Melatonin protects against defects induced by malathion during porcine oocyte maturation
Authors: Chen Li , Zhang Jing‐Jing , Zhang Xia , Liu Xiaoli , Zhao Shuhong , Huo Li‐Jun , Zhou Jilong , Miao Yi‐Liang
Published: September 2019

Malathion (MAL) is a common organophosphorus pesticide and affects both animal and human reproduction. However, the mechanisms regarding how MAL affects the mammalian oocyte quality and how to prevent it have not been fully investigated. In this study, we used porcine oocyte as a model and proved that MAL impaired porcine oocyte quality in a dose‐dependent manner during maturation. MAL decreased the first polar body extrusion, disrupted spindle assembly and chromosome alignment, impaired cortical granules (CGs) distribution, and increased reactive oxygen species (ROS) level in oocytes. RNA‐seq analysis showed that MAL exposure altered the expression of 2,917 genes in the porcine maturated oocytes and most genes were related to ROS, the lipid droplet process, and the energy supplement. Nevertheless, these defects could be remarkably ameliorated by adding melatonin (MLT) into the oocyte maturation medium. MLT increased oocyte maturation rate and decreased the abnormities of spindle assembly, CGs distribution and ROS accumulation in MAL‐exposed porcine oocytes. More important, MLT upregulated the expression of genes related to lipid droplet metabolism (PPARγ and PLIN2), decreased lipid droplet size and lipid peroxidation in MAL‐exposed porcine oocytes. Finally, we found that MLT increased the blastocysts formation and the cell numbers of blastocysts in MAL‐exposed porcine oocytes after parthenogenetic activation, which was mediated by reduction of ROS levels and maintaining lipid droplet metabolism. Taken together, our results revealed that MLT had a protective action against MAL‐induced deterioration of porcine oocyte quality.
New‐onset atrial fibrillation after atrial ischemia
Authors: Kondo Yusuke , Kobayashi Yoshio
Published: September 2019

See articles in Journal Of Arhythmia

DOI: doi.org/10.1002/joa3.12470

Author's response to Letter to the Editor: Reply to the letter by Kondo et al: Mechanisms for new‐onset atrial fibrillation in patients with acute coronary syndrome
Antimicrobial Blue Light Inactivation of Microbial Isolates in Biofilms
Authors: Ferrer‐Espada Raquel , Wang Ying , Goh Xueping Sharon , Dai Tianhong
Published: September 2019

Background and Objectives

Biofilms cause more than 80% of infections in humans, including more than 90% of all chronic wound infections and are extremely resistant to antimicrobials and the immune system. The situation is exacerbated by the fast spreading of antimicrobial resistance, which has become one of the biggest threats to current public health. There is consequently a critical need for the development of alternative therapeutics. Antimicrobial blue light (aBL) is a light‐based approach that exhibits intrinsic antimicrobial effect without the involvement of exogenous photosensitizers. In this study, we investigated the antimicrobial effect of this non‐antibiotic approach against biofilms formed by microbial isolates of multidrug‐resistant bacteria.

Study Design/Materials and Methods

Microbial isolates of Acinetobacter baumannii, Candida albicans, Escherichia coli, Enterococcus faecalis, MRSA, Neisseria gonorrhoeae, Pseudomonas aeruginosa, and Proteus mirabilis were studied. Biofilms were grown in microtiter plates for 24 or 48 hours or in the CDC biofilm reactor for 48 hours and exposed to aBL at 405 nm (60 mW/cm2, 60 or 30 minutes). The anti‐biofilm activity of aBL was measured by viable counts.

Results

The biofilms of A. baumannii, N. gonorrhoeae, and P. aeruginosa were the most susceptible to aBL with between 4 and 8 log10 inactivation after 108 J/cm2 (60 mW/cm2, 30 minutes) or 216 J/cm2 (60 mW/cm2, 60 minutes) aBL were delivered in the microplates. On the contrary, the biofilms of C. albicans, E. coli, E. faecalis, and P. mirabilis were the least susceptible to aBL inactivation (−0.30, −0.24, −0.84, and −0.68 log10 inactivation, respectively). The same aBL treatment in biofilms developed in the CDC biofilm reactor, caused −1.68 log10 inactivation in A. baumannii and −1.74 and −1.65 log10 inactivation in two different strains of P. aeruginosa.

Conclusions

aBL exhibits potential against pathogenic microorganisms and could help with the significant need for new antimicrobials in clinical practice to manage multidrug‐resistant infections. Lasers Surg. Med. © 2019 Wiley Periodicals, Inc.
Role of glucocorticoid signaling in urothelial tumorigenesis: Inhibition by prednisone presumably through inducing glucocorticoid receptor transrepression
Authors: Ide Hiroki , Inoue Satoshi , Mizushima Taichi , Kashiwagi Eiji , Zheng Yichun , Miyamoto Hiroshi
Published: September 2019

Glucocorticoids, including dexamethasone (DEX) and prednisone (PRED), have been prescribed in patients with neoplastic disease as cytotoxic agents or comedications. Nonetheless, it remains uncertain whether they have an impact on the development of bladder cancer. We, therefore, assessed the functional role of the glucocorticoid‐mediated glucocorticoid receptor (GR) signaling in urothelial tumorigenesis. Tumor formation was significantly delayed in xenograft‐bearing mice with implantation of control bladder cancer UMUC3 cells or nonneoplastic urothelial SVHUC cells undergoing malignant transformation induced by a chemical carcinogen 3‐methylcholanthrene (MCA), compared with respective GR knockdown xenografts. Using the in vitro system with MCA‐SVHUC cells, we screened 11 GR ligands, including DEX, and found significant inhibitory effects of PRED on their neoplastic transformation. The effects of PRED were restored by a GR antagonist RU486 in GR‐positive MCA‐SVHUC cells, while PRED failed to inhibit the neoplastic transformation of GR knockdown cells. Significant decreases in the expression levels of oncogenes (c‐Fos/c‐Jun) and significant increases in those of a tumor suppressor UGT1A were seen in MCA‐SVHUC‐control cells (vs GR‐short hairpin RNA) or PRED‐treated MCA‐SVHUC‐control cells (vs mock). In addition, N‐butyl‐N‐(4‐hydroxybutyl) nitrosamine induced bladder cancer in all of eight mock‐treated mice vs seven (87.5%) of DEX‐treated (P = .302) or four (50%) of PRED‐treated (P = .021) animals. Finally, DEX was found to considerably induce both transactivation (activation of glucocorticoid‐response element mediated transcription and expression of its targets) and transrepression (suppression of nuclear factor‐kappa B transactivation and expression of its regulated genes) of GR in SVHUC cells, while PRED more selectively induced GR transrepression. These findings suggest that PRED could prevent urothelial tumorigenesis presumably via inducing GR transrepression.
Wheat Protein Hydrolysate Fortified With l‐Arginine Enhances Satiation Induced by the Capsaicinoid Nonivamide in Moderately Overweight Male Subjects
Authors: Stoeger Verena , Lieder Barbara , Riedel Johanna , Schweiger Kerstin , Hoi Julia , Ruzsanyi Veronika , Klieber Martin , Rust Petra , Hans Joachim , Ley Jakob P , Krammer Gerhard E , Somoza Veronika
Published: September 2019

Scope

Increasing the intake of satiety‐enhancing food compounds represents a promising strategy for maintaining a healthy body weight. Recently, satiating effects for the capsaicinoid nonivamide have been demonstrated. As various proteins and amino acids have also been demonstrated to decrease energy intake, oral glucose tolerance test (oGTT)‐based bolus interventions of 75 g glucose + 0.15 mg nonivamide (NV control) are tested with/without combination of a wheat protein hydrolysate (WPH: 2 g) and/or l‐arginine (ARG: 3.2 g) for their satiating effects in 27 moderately overweight male subjects.

Methods and Results

Compared to NV control intervention, ARG and WPH + ARG treatment both reduce (p < 0.01) total calorie intake from a standardized breakfast by –5.9 ± 4.15% and –6.07 ± 4.38%, respectively. For the WPH + ARG intervention, increased mean plasma serotonin concentrations (AUC: 350 ± 218), quantitated by ELISA, and delayed gastric emptying, assessed by 13C‐Na‐acetate breath test (−2.10 ± 0.51%, p < 0.05), are demonstrated compared to NV control. Correlation analysis between plasma serotonin and gastric emptying reveals a significant association after WPH ± ARG intervention (r = –0.396, p = 0.045).

Conclusion

Combination of WPH and ARG enhances the satiating effect of nonivamide, providing opportunities to optimize satiating food formulations by low amounts of the individual food constituents.
Simulation of the stick‐slip motion of an oscillatory roller
Authors: Paulmichl Ivan , Adam Christoph , Adam Dietmar
Published: September 2019

A three degrees‐of‐freedom (3DOF) lumped parameter model (LPM) of the oscillatory roller‐soil interaction system is presented that captures the stick‐slip motion of the drum during near‐surface compaction of non‐cohesive soils. The deformed soil below the drum is predefined as a rigid curved asymmetric guiding track (i.e. the compaction process in the soil is not simulated), supported by a vertical and horizontal Kelvin‐Voigt element, to predict also the vertical drum accelerations as observed in situ. The solution of this model, found by switching between the sets of highly nonlinear ODEs for the stick and slip phase, is compared with recorded and numerically simulated (Finite Element model) drum responses.
Parenteral nutrition use in children with cancer
Authors: McGrath Kathleen H.
Published: September 2019

Multiple disease and treatment‐related factors contribute to intestinal insult and influence the nutritional status of children with cancer. Many children with cancer will experience intestinal dysfunction during their cancer journey and children with cancer are a common referral group for inpatient parenteral nutrition. Appropriate use of parenteral nutrition in children with cancer and intestinal failure may alleviate malnutrition and associated risks. However, proper selection of patients, correct parenteral nutrition prescription, and close monitoring is important to avoid unnecessary intestinal failure or parenteral nutrition–related complications, minimize long‐term nutritional sequelae or additional costs to health services, and optimize intestinal rehabilitation.
Applications of Quantitative Systems Pharmacology in Model‐Informed Drug Discovery: Perspective on Impact and Opportunities
Authors: Bradshaw Erica L. , Spilker Mary E. , Zang Richard , Bansal Loveleena , He Handan , Jones Rhys D.O. , Le Kha , Penney Mark , Schuck Edgar , Topp Brian , Tsai Alice , Xu Christine , Nijsen Marjoleen J.M.A. , Chan Jason R.
Published: September 2019

Quantitative systems pharmacology (QSP) approaches have been increasingly applied in the pharmaceutical since the landmark white paper published in 2011 by a National Institutes of Health working group brought attention to the discipline. In this perspective, we discuss QSP in the context of other modeling approaches and highlight the impact of QSP across various stages of drug development and therapeutic areas. We discuss challenges to the field as well as future opportunities.
Nitrogen Doping Effect in Cu4O3 Thin Films Fabricated by Radio Frequency Magnetron Sputtering
Authors: Patwary Md Abdul Majed , Saito Katsuhiko , Guo Qixin , Tanaka Tooru , Man Yu Kin , Walukiewicz Wladek
Published: September 2019

N‐doped Cu4O3 thin films are deposited by radio frequency magnetron sputtering in an ambient of Ar, O2, and N2 using a pure Cu target. The structural, electrical, and optical properties are investigated systematically with the variation of N2 gas flow during deposition. Results reveal that N2 flow rate has a strong influence on both the composition and functional properties of the resulting Cu4O3 films. X‐ray diffraction (XRD) and Raman spectroscopy indicate the formation of the single phase of N‐doped Cu4O3 at a low N2 flow rate of up to 4.3 sccm. From the optical absorption analyses, both undoped and N‐doped Cu4O3 films show a direct forbidden transition at Eg = 1.34–1.44 eV. All the undoped and N‐doped Cu4O3 thin films show p‐type conductivity, and N‐doped Cu4O3 shows lower resistivity on the order of 101–102 Ω cm. These results indicate clearly that N‐doped Cu4O3 is a very promising material for the absorber in low‐cost thin film solar cells.
Naphthalene Based Amide‐Imine Derivative and its Dinuclear Vanadium Complex: Structures, Atmospheric CO2 Fixation and Theoretical Support
Authors: Ta Sabyasachi , Ghosh Milan , Molla Rostam Ali , Ghosh Subhasis , Islam Manirul , Brandão Paula , Félix Vítor , Das Debasis
Published: September 2019

The oxo‐vanadium(V) complex (1) derived from an amide‐imine conjugate, (E)‐N′‐(4‐(diethylamino)‐2‐hydroxybenzylidene)‐2‐(naphthalen‐1‐yl)acetohydrazide (H2L1) is exploited as catalyst for arresting atmospheric CO2 to organic cyclic carbonate by reacting with epoxide. The H2L1 is prepared by facile condensation of 2‐(naphthalen‐1‐yl)acetohydrazide (AC) and 4‐(diethylamino)‐2‐hydroxybenzaldehyde in good yield. The 1 is characterized by single crystal X‐ray diffraction, FTIR and absorption spectroscopic studies.
Iron‐Porphyrin/Cysteine/PEG as Pseudo‐Chloroperoxidase Nanozyme
Authors: Sajadimehr Yazdan , Moosavi‐Movahedi Zainab , Haghighi Mohsen Golbon , Miyardan Ahmad Babaei , Nourisefat Maryam , Moosavi‐Movahedi Ali Akbar
Published: September 2019

Porphyrins can be widely used as active‐site biocomplexes, where biomimetic synthetic metal porphyrin is considered as being pseudo‐enzyme. The system consisted of porphyrin‐metal‐cysteine (Cys) complex and PEG polymer or mixed SDS/DTAB surfactants has used to model native chloroperoxidase (CLP). Metal‐tetra(2‐pyridyl)porphyrins (M‐TPP) as more potent than heme (native active‐site) were designed and synthesized based on lowering Michaeilis‐Menten parameter. Fe‐TTP has the maximum CLP activity among central metal including iron(+3), manganese(+3) and zinc(+2). Triple‐component: Fe‐TPP/Cys/PEG, indicated most efficient “nanozyme” toward native CLP efficiency. It can be seen that porphyrin hydrophobicity varies by changing central metal, detected via Thioflavin T fluorescence method such as Fe(+3)> Mn(+3)> Zn(+2) attributed to charge transfer between π‐electron and central metal. Dynamic light scattering indicates that the addition of Fe‐TPP/Cys, as PEG absorbent nucleus, causes nano‐particle creation. Transmission electron microscopy illustrated multi‐holes vesicular Fe‐TPP/Cys/PEG nanozyme that causes more efficiency via higher specific surface area for substrate trap comparing one‐hole vesicular Fe‐TPP/Cys/SDS/DTAB biocatalyst. Presence of Fe‐TPP/Cys active‐site inside nanozyme was confirmed by UV‐Visible spectroscopy as well as Circular dichroism. Differential scanning calorimetry indicates more single colloid structure for PEG nanozyme than attributed SDS/DTAB biocatalyst.
Phenomenal Observation of Attractive Intermolecular CH⋯HC Interaction in a Mercury (II) Complex: An Experimental and First‐Principles Study
Authors: Khavasi Hamid Reza , Balmohammadi Yaser , Naghavi S. Shahab
Published: September 2019

The nature of the attractive intermolecular C−H…H−C interaction, which could affect the crystal packing and solid‐state molecular structure, is yet unknown. Here, a novel mercury (II) complex includingN‐(2‐biphenyl)pyrazine‐2‐carboxamide ligand, one such system, has been synthesized and characterized by a single crystal X‐ray diffraction. The existence of attractive intermolecular C−H⋯H−C interaction (‐2.64 to −9.30 kj/mol depending on computational levels) is a notable feature in the crystal packing of this complex, which is the first observation ofintermolecularC−H⋯H−C interaction in a metal complex. From crystallographic data, this contact has a distance of 2.172 Å which is 9.5% shorter than the sum of the van der Waals radii of two hydrogen atoms, which is the primary condition of having intermolecular interactions. We study the nature C−H…H−C interaction in the synthesized mercury (II) complex using periodic/non‐periodic density functional theory in conjunction with quantum theory of atoms in molecules, non‐covalent interaction reduced density gradient method, natural bond orbital, and energy decomposition analysis tools. Our results suggest that C−H⋯H−C interaction has closed‐shell, donor‐acceptor, and van der Waals nature.
An Unexplored Lewis Acidic Catalytic System for Synthesis of Pyrazole and its Biaryls Derivatives with Antimicrobial Activities through Cycloaddition‐Iodination‐Suzuki Reaction
Authors: Konwar Manashjyoti , Phukan Parmita , Chaliha Amrita K. , Buragohain Alak K. , Damarla Krishnaiah , Gogoi Dipshikha , Kumar Arvind , Sarma Diganta
Published: September 2019

Here an environmentally friendly process has been developed for the synthesis of pyrazole and its derivatives through cycloaddition‐iodination‐Suzuki type reaction by the use of lithium perchlorate as a Lewis acid catalyst. The synthetic pathway involves the synthesis of pyrazoles with various electron donating and electron withdrawing functional groups containing hydrazines and 1,3‐diketones (70‐95% yields); then one step formation of 4‐iodo‐pyrazoles (59% yield) followed by modification via palladium catalyzed Suzuki‐Miyaura cross coupling reaction to obtain the desired biaryls substituted pyrazoles under mild reaction conditions with high efficiency and product purity (53‐70% yields). The biological activity was evaluated through in vitro analysis towards the antimicrobial activities against the growth of Staphylococcus Aureus (for Gram positive) and Pseudomonas Aeruginosa (for Gram negative) with minimum inhibitory concentration (MIC) values ranging from 225 to 850 μg/ml. Molecular docking studies of the compounds into the active site of thymidylate kinase receptor of Pseudomonas Aeruginosa PAO1 revealed notable information on the probable binding interaction.
Ethyl‐substituted Thioflavin T as a Fluorescent Probe for Detecting the Conformation of Transferrin
Authors: Fu Yao , Shi Lei , Zhao Zheng , Yang Dawei , Li Qian , Tang Yalin , Zhang Xiufeng
Published: September 2019

Human serum transferrin (hTf) is found that can be used as novel drug active targeted vector, which have broad application prospects in the field of tumor‐targeted therapeutics. A new method to recognize human transferrin (hTf) conformations was developed using ThT−E. ThT−E with three ethyl functional groups has better hydrophobicity than ThT, which can better recognize transferrin and achieve detection of the open conformation of Tf (apo‐Tf) against the closed one (holo‐Tf). In this study, ThT−E and ThT with similar main core structures were selected to evaluate the effect of heterocycles on hTf binding by spectroscopic methods, and a more excellent fluorescent probe ThT−E was selected for the recognition of transferrin conformation. And ThT−E has a detection limit of 0.27 μM for apo‐Tf. This study provides a theoretical basis for ThT−E as a biomolecular probe for detecting the mutual conversion of two conformational proteins.
Poly (amic acid) Salt‐stabilized Au‐Ag Alloy Nanoparticles as Efficient and Recyclable Quasi‐homogeneous Catalysts for the Imines Synthesis from Alcohols and Amines in Water
Authors: Xu Jiali , Luo Faguo , Li Jun , Yang Ke , Li Hengfeng
Published: September 2019

Water‐soluble Au−Ag bimetallic nanoparticles with different Au/Ag molar ratios stabilized by poly (amic acid) salt (PAAS) were synthesized by a one‐pot method and characterized by ultraviolet‐visible spectrophotometer (UV‐vis), X‐ray diffractometer (XRD), X‐ray photoelectron spectroscope (XPS) and High‐Angle Annular Dark Field scanning transmission electron microscope (HAADF‐STEM). The Au−Ag/PAAS catalysts displayed high activity for the aerobic oxidative coupling reaction of alcohols and amines in water. Attributing to the synergistic effect between Au and Ag, the activity of the bimetallic catalysts was superior to that of the corresponding monometallic catalysts. The catalyst with an Au/Ag molar ratio of 6/1 showed the best catalytic performance, which could be easily recovered and reused without significant loss of activity for over 5 times due to the pH response of PAAS.
Effect of Cross‐Linker in Poly(N‐Isopropyl Acrylamide)‐Grafted‐Gelatin Gels Prepared by Microwave‐Assisted Synthesis
Authors: García‐Peñas Alberto , Sharma Gaurav , Kumar Amit , Galluzzi Massimiliano , Du Lei , Stadler Florian J.
Published: September 2019

The combination of thermoresponsive polymers with natural biomaterials can extend the properties portfolio, especially in the field of biomedicine, where a great cell adhesiveness and biodegradation is necessary for bone regeneration. The poly(N‐isopropylacrylamide)‐grafted‐gelatin gels were already reported where several synthetic parameters, such as polymer or gelatin were varied and final properties were studied. Nevertheless, the ratio of the cross‐linker was always the same, and consequently, their properties were not analyzed yet. There are various preparation methods of these systems but microwave synthesis was not deeply studied, and consequently, important benefits can be obtained due to its efficiency and time saving. In this work, we modified the ratio of cross‐linker and important changes are observed in the thermoresponsive and mechanical properties tested by calorimetry, thermogravimetry, rheology, and atomic force microscopy. The amount of cross‐linker modulates the homogeneity of the resulting gels, and consequently, the lower critical solution temperature, the absorption of water into surfaces and the mechanical behavior of the new materials.
Smart Lipid Nanotubes for Easy Formation of Gold‐Lipid Hybrid Nanotubes and Tunable Gold Superstructures
Authors: Unsal Hande , Kalaycioglu Gokce D. , Aydogan Nihal , Karakuscu Nazli
Published: September 2019

Organic‐inorganic hybrid nanotubes are highly functional and interesting materials. However, their formation generally requires reducing agents, high temperatures, special procedures, organic solvents etc. Here, using a simple concept based on engineering and materials design, we fabricated stimuli‐responsive lipid‐gold hybrid nanotubes. Self‐assembled lipid nanotubes, made from specially designed AQua molecules, are used as the nucleation sites. Well‐coated hybrid nanotubes are obtained by the in‐situ formation of gold nanoparticles on the nanotubes. The AQua molecule itself, without any other additives, reduces and stabilizes the gold nanoparticles. The nanoparticle coating degrees on the lipid nanotubes can be adjusted by varying the temperature, pH, and/or HAuCl4 concentration. In addition to hybrid nanotubes, stimuli‐responsive gold nano‐(wires, pompoms, and cubes) and polyhedrons are formed at specific conditions. Varying the pH results in a reversible change of gold nanowires to polyhedrons.
C‐C Bond Cleavage by the Reaction of Cyclic Amines or Indoles with Activated Olefins: A Redox‐Neutral Mechanism for the Reducing Action of Tetrahydroisoquinolines
Authors: Rahman Iftakur , Deka Bhaskar , Deb Mohit L. , Baruah Pranjal K.
Published: September 2019

Here we report the C−C bond cleavage through the reaction of tetrahydroisoquinolines (THIQs) or indoles with activated olefins. THIQ reacts with olefins under catalyst‐ and solvent‐free condition resulting the formation of N‐benzyltetrahydroisoquinoline via the C−C bond cleavage followed by reduction of iminium ion. Here, THIQ behaves as a reducing agent. On the other hand, when indole is used in place of THIQ in presence of ceric ammonium nitrate as catalyst under solvent‐free condition, symmetrical bisindolylmethanes (BIMs) are obtained. The methodology could be further extended to synthesize unsymmetrical BIMs.
Selective Fabrication of an Electrochemical Sensor for Pb2+ Based on Poly(pyrrole‐co‐o–toluidine)/CoFe2O4 Nanocomposites
Authors: Katowah Dina F. , Hussein Mahmoud A. , Alam M. M. , Gabal M. A. , Sobahi T. R. , Asiri Abdullah M. , Uddin Jamal , Rahman Mohammed M.
Published: September 2019

We report the synthesis of a novel nanocomposites based Poly(pyrrole‐co‐o‐toluidine) copolymer and cobalt ferrite (CoFe2O4) as an electrochemical sensor for selective Pb2+detection. The general abbreviation of these new materials are given as P(Py‐co‐OT)/CF nanocomposites (P(Py‐co‐OT)/CF NCs). The synthesis was performed via in situ‐chemical oxidative polymerization method at different CoFe2O4 weight ratio (5%, 10%, 30%, 50% and 70%), whereas CoFe2O4 nanoparticle (NPs) was synthesized by an egg white method prior the nanocomposite formation. The structural, morphological, thermal, magnetic, electrical and electrochemical properties of pure P(Py‐co‐OT), CoFe2O4 and P(Py‐co‐OT)/CF NCs were characterized by XRD, FTIR, TGA‐DTG, SEM‐EDX, TEM, VSM and electrical conductivity. The results of XRD and FTIR confirmed the formation of P(Py‐co‐OT)/CF NCs with the component CoFe2O4 showing spinel structure. The analysis of TGA‐DTG presented that CoFe2O4 NPs improved the thermal stability of NCs indicated the presence of some interactions between the interface of P(Py‐co‐OT) and CoFe2O4 NPs, which affects the chemical and physical properties of the NCs. The ac conductivity was also examined as a function of temperature. The measures showed a decrease in the conductivity of NCs when increasing the insulating CoFe2O4 NPs contents. A cost‐effective and reliable electrochemical sensor selective to Pb2+ ion was fabricated using P(Py‐co‐OT)/CF NCs on glassy carbon (GCE). It was found that the P(Py‐co‐OT)/CF10 NCs exhibit excellent detection of Pb2+ ion. The proposed Pb2+ ion sensor was performed linearly over the large concentration range of 0.1 nM ∼ 0.01 mM labelled as linear dynamic range (LDR). The sensitivity as well as detection limit were estimated to be 22.39 μAμM−1cm−2 and 42.39 ±2.12 pM, respectively. The desired ionic sensor‐based on P(Py‐co‐OT)/CF10 NCs/binder/GCE was found as efficient to detect Pb2+ ion in environmental and biological samples significantly. The analytical sensor performances such as reproducibility, sensitivity, stability, validation, and response time were reliable and significant.
Regioisomers of Mononitro‐ and Monoamino‐A2B‐Corroles: Synthesis and Unusual Luminescence Behavior
Authors: Semenishyn Nikolay N. , Ognichenko Liudmyla N. , Smola Serhii S. , Rusakova Nataliia V.
Published: September 2019

Position isomers of mono‐nitrophenyl‐ and monoaminophenyl‐corroles of A2B type have been synthesized. Their emission properties have been studied and compared to known data. It has been found that their emission strongly depends on several factors: electronic nature of the substituent, its position at the phenyl group and solvent polarity. Two independent theoretical approaches TD DFT and PM3 have been used for evaluation of main parameters (dipole moment, HOMO and LUMO energies) of the corroles. ortho‐Isomer of nitro‐corrole has particular emission properties – its emission profile is not familiar and an assumption for its structure features have been proposed.
Integral Privacy Compliant Statistics Computation
Authors: Senavirathne Navoda , Torra Vicenç
Published: September 2019

Data analysis is expected to provide accurate descriptions of the data. However, this is in opposition to privacy requirements when working with sensitive data. In this case, there is a need to ensure that no disclosure of sensitive information takes place by releasing the data analysis results. Therefore, privacy-preserving data analysis has become significant. Enforcing strict privacy guarantees can significantly distort data or the results of the data analysis, thus limiting their analytical utility (i.e., differential privacy). In an attempt to address this issue, in this paper we discuss how “integral privacy”; a re-sampling based privacy model; can be used to compute descriptive statistics of a given dataset with high utility. In integral privacy, privacy is achieved through the notion of stability, which leads to release of the least susceptible data analysis result towards the changes in the input dataset. Here, stability is explained by the relative frequency of different generators (re-samples of data) that lead to the same data analysis results. In this work, we compare the results of integrally private statistics with respect to different theoretical data distributions and real world data with differing parameters. Moreover, the results are compared with statistics obtained through differential privacy. Finally, through empirical analysis, it is shown that the integral privacy based approach has high utility and robustness compared to differential privacy. Due to the computational complexity of the method we propose that integral privacy to be more suitable towards small datasets where differential privacy performs poorly. However, adopting an efficient re-sampling mechanism can further improve the computational efficiency in terms of integral privacy.
Why people donate their brain to science: a systematic review
Authors: Lin Meng-Jiun Penny , Jowsey Tanisha , Curtis Maurice A.
Published: September 2019

The acquisition of brain tissue for research purposes is an important endeavour in research on ageing, pathological diagnosis, and the advancement of treatment of neurological or neurodegenerative diseases. While some tissue samples can be obtained from a living patient, the procurement of a whole brain requires the donation from people after their death. In order to promote positive attitudes towards brain donation, it is essential to understand why people do or do not donate their brain to medical research. In 2018 we undertook a systematic review of the international literature concerning people’s attitudes, motivations, and feelings about brain donation. Five electronic databases were searched: Scopus, PsycINFO, Embase, Medline, and Google Scholar. Search terms included: (“brain donor*” OR “brain donation” OR “brain banking” OR “banking on brain”) AND (attitude* OR motivation* OR decision*”) AND (LIMIT-TO “human”) AND (LIMIT-TO (LANGUAGE, “English”)). Articles were analysed using the Framework for Assessing Qualitative Evaluations and a meta-ethnographic approach. Fourteen articles were included for review. The findings suggest four universal factors informing a person’s decision to donate their brain: (1) contextual knowledge, (2) conceptual understandings, (3) family/friends matter, and (4) personal experience, time and process. The findings also indicate that the way healthcare professionals present themselves can influence people’s feelings and attitudes towards brain donation. Healthcare and research professionals who are involved in brain donation processes must be mindful of the complex and multiple factors that influence donation outcomes. Effective and sensitive communication with potential donors and their family/friends is paramount.