bluuebunny/crossref_metadata_2025 huggingface dataset:
Promotion Effect of Ga−Co Spinel Derived from Layered Double Hydroxides for Toluene Oxidation
Authors: Yang Qilei , Wang Dong , Wang Chizhong , Li Kezhi , Peng Yue , Li Junhua
Published: September 2018

Considering the radius similarity of Al3+ (0.50 Å) and Ga3+ (0.62 Å), Al−Co and Ga−Co layered double hydroxides (LDH) was prepared as precursor to improve the synergetic interaction of the transition metals. The Al−Co and Ga−Co spinel catalysts were obtained by the following calcination for the toluene oxidation. The Ga−Co (Ea=79.5 kJ mol−1) showed higher activity than the Al−Co (Ea=95.4 kJ mol−1), and it exhibited excellent stability and resistance to carbon deposition during a 50 h reaction period at 300 °C. Characterization results indicated that the improved activity of Ga−Co spinel could be attributed to the higher reducibility (H2‐TPR), more surface Co3+ and adsorbed oxygen in quantity (XPS) and adsorbed toluene (Toluene‐TPD) than Al−Co spinel. Compared with traditional Ga−Co binary catalyst, the spinel structure possessed more B‐sites cations outermost of the surface and surface oxygen vacancies for the toluene adsorption and ring‐open reaction.
Design of Ordered Mesoporous Sulfonic Acid Functionalized ZrO2/organosilica Bifunctional Catalysts for Direct Catalytic Conversion of Glucose to Ethyl Levulinate
Authors: Song Daiyu , Zhang Qingqing , Sun Yingnan , Zhang Panpan , Guo Yi‐Hang , Hu Jiang‐Lei
Published: September 2018

Ordered mesoporous sulfonic acid functionalized ZrO2/organosilica catalysts (SO42−/ZrO2‐PMO‐SO3H) bearing tunable Brønsted, and Lewis acid site distributions were prepared by a P123‐directed sol‐gel co‐condensation route followed by ClSO3H functionalization. As‐prepared catalysts were applied in the conversion of glucose to ethyl levulinate in ethanol medium. The SO42−/ZrO2‐PMO‐SO3H‐catalyzed target reaction followed a glucose‐ethyl glucoside‐ethyl fructoside‐5‐ethoxymethylfurfural‐ethyl levulinate pathway dominated by the synergistic effect of the super strong Brønsted acidity, and moderate Lewis acidity of the catalysts. Additionally, by combining the advantages of the considerably high Brønsted (696 μeq g−1), Lewis acid site density (703 μeq g−1), optimal Brønsted/Lewis molar ratio (0.99), and excellent porosity properties, the SO42−/ZrO2‐PMO‐SO3H1.0 obtained at an initial Si/Zr molar ratio of 1.0 exhibited the highest ethyl levulinate yield (42.3 %) among the various tested catalysts. Moreover, the SO42−/ZrO2‐PMO‐SO3H can be reused three times without obvious changes in activity, morphology, and chemical structure.
Spirobifluorene‐based Porous Organic Polymers as Efficient Porous Supports for Pd and Pt for Selective Hydrogenation
Authors: Trandafir Mihaela Mirela , Pop Lidia , Hӑdade Niculina D. , Hristea Ioana , Teodorescu Cristian Mihail , Krumeich Frank , van Bokhoven Jeroen A. , Grosu Ion , Parvulescu Vasile I.
Published: September 2018

Spirobifluorene‐based porous organic polymers (POP) were synthesized following two different protocols; the acetylenic coupling reaction conditions and the Sonogashira cross‐coupling reaction. These were utilized as support for the hydrogenation of a series of species containing unsaturated C=C and C=O bonds (4‐nitrostyrene, 4‐bromobenzophenone, acetophenone, 7‐nitro‐1‐tetralone and 1,2‐naphtoquinone confirmed their efficiency). POP1 prepared via a copper‐catalysis protocol was completely inactive, while POP2‐4 containing residual Pd exhibited different activities in accordance to the accessibility of the substrates to the metal. Further deposition of 0.5 wt% Pd led to active and stable catalysts. They were easily separated by filtration, and after re‐dispersion, afforded the same performances for ten successive cycles. This study also evidenced the specific role of the support in these reactions by comparing the behavior of Pd/POP with that of a Pd/C catalyst with the same loading of palladium. The deposition of Pt on these supports led to sub‐nanometric particles and, in accordance, to a different catalytic behavior reflected merely by differences in the selectivity.
Influence of Design Parameters on Biomass Separation in Mini‐hydrocyclones
Authors: Brito-Parada Pablo R. , Dewes Ruben Markus , Vega-Garcia Dennis , Cilliers Jan J.
Published: September 2018

Small hydrocyclones are an attractive technology for biomass separation from fermentation processes. The interactive effect of design parameters on the performance of mini‐hydrocyclones is, however, not fully explored and studies are often limited by the challenges in manufacturing such small units. Here, 10‐mm mini‐hydrocyclones are produced by 3D printing and the impact of spigot diameter, vortex finder diameter and height on separation performance is studied. A central composite rotatable design was adopted to obtain information on the relation between the variables and their influence on concentration ratio and recovery of yeast from a highly diluted system. A Pareto front for separation performance was generated and shown to be suitable to select an optimal design for a set of process constraints.
Carbon2Chem® – Technical Center in Duisburg
Authors: Wich Teresa , Lüke Wiebke , Büker Karsten , von Morstein Olaf , Kleinschmidt Ralph , Oles Markus , Achatz Reinhold
Published: September 2018

The aim of Carbon2Chem® is to use CO2‐containing top gases from the steel production as a raw material for chemical products. The scientific foundations and tests with synthetic top gases on a laboratory scale have already been investigated. The technical implementation under real top gas conditions is tested in a technical center that was especially built for the project. In the demonstration plants which are directly connected to the integrated steelwork in Duisburg technologies for CO2 reduction are further developed.
Design and Synthesis of Bioisosteres of Acylhydrazones as Stable Inhibitors of the Aspartic Protease Endothiapepsin
Authors: Jumde Varsha R. , Mondal Milon , Gierse Robin M. , Unver M. Yagiz , Magari Francesca , van Lier Roos C. W. , Heine Andreas , Klebe Gerhard , Hirsch Anna K. H.
Published: September 2018

Acylhydrazone‐based dynamic combinatorial chemistry (DCC) is a powerful strategy for the rapid identification of novel hits. Even though acylhydrazones are important structural motifs in medicinal chemistry, their further progression in development may be hampered by major instability and potential toxicity under physiological conditions. It is therefore of paramount importance to identify stable replacements for acylhydrazone linkers. Herein, we present the first report on the design and synthesis of stable bioisosteres of acylhydrazone‐based inhibitors of the aspartic protease endothiapepsin as a follow‐up to a DCC study. The most successful bioisostere is equipotent, bears an amide linker, and we confirmed its binding mode by X‐ray crystallography. Having some validated bioisosteres of acylhydrazones readily available might accelerate hit‐to‐lead optimization in future acylhydrazone‐based DCC projects.
Highly Ordered 3D Silicon Micro‐Mesh Structures Integrated with Nanowire Arrays: A Multifunctional Platform for Photodegradation, Photocurrent Generation, and Materials Conversion
Authors: Chang Bingdong , Tang Yingying , Liang Mingli , Jansen Henri , Jensen Flemming , Wang Bo , Mølhave Kristian , Hübner Jörg , Sun Hongyu
Published: September 2018

Hierarchical three dimensional (3D) microstructures integrated with low‐dimensional nanomaterials can realize novel properties or improved performance. We report a unique conductive and highly ordered 3D silicon micro‐mesh structure, which is fabricated by standard lithography using a modified plasma etch process. Zinc oxide (ZnO) nanowires are then integrated with the micro‐mesh, and the density of ZnO nanowires (NWs) can be increased by around one order of magnitude compared with ZnO NWs on a 2D substrate. Owing to the high spatial density of ZnO NWs on the robust 3D silicon micro‐mesh structures, improved photocatalytic activity and stability can be achieved. A remarkable enhancement of photocurrent response is also observed. The ZnO can be converted into ZnS NWs and ZnO@ZIF‐8 as on the micromesh. This method is low‐cost and compatible with traditional complementary metal–oxide–semiconductor industries, and provides new possibilities for a wide range of devices based on micro‐nano‐electro‐mechanical and chemical systems.
The Irwin Test and Functional Observational Battery (FOB) for Assessing the Effects of Compounds on Behavior, Physiology, and Safety Pharmacology in Rodents
Authors: Mathiasen Joanne R. , Moser Virginia C.
Published: September 2018

The modified Irwin procedure or functional observational battery (FOB) can be used to achieve several goals. New chemical entities (NCEs) can be behaviorally screened for nervous system effects at a variety of doses to identify potential therapeutic uses and in the selection of appropriate doses for subsequent assays. NCEs can also be evaluated in the behavioral battery and compared with reference standards to assess liabilities in a new compound class, with an estimatedtherapeutic indexbeing suggested by the doses used in comparison to therapeutic doses. For the assessment of neurotoxicology, the FOB is often used. The differences between the two assays are subtle. The procedures used are essentially the same, but when considering neurotoxicology, the FOB is often conducted using GLP guidelines, with more animals being used per group, and doses that are low enough to determine a no effect level and high enough to induce marked nervous system behaviors. © 2018 by John Wiley & Sons, Inc.
Long Wavelength Light Activated Prodrug Conjugates for Biomedical Applications
Authors: Hou Yutong , Zhou Zhiguo , Huang Kai , Yang Hong , Han Gang
Published: September 2018

Long wavelength light (LWL) activated prodrug conjugates are a promising system to prevent systemic side effects and reduce drug resistance in cancer therapy. These systems have been applied for spatiotemporal‐ and dose‐controlled drug release under low‐energy LWL irradiation. Compared with other drug release systems, LWL‐activated prodrug conjugates offer deep‐tissue cancer therapies at the desired site and time with excitation only by LWL. Therefore, the fabrication of LWL‐activated prodrug conjugates is highly important. To achieve this goal, a LWL transducer that could convert LWL into an on‐demand stimulus for prodrug activation was proposed. This Minireview summarizes the latest developments of light transduction and the application in LWL‐activated prodrug conjugates for biomedical applications.
Mesoporogen‐Free Synthesis of Hierarchical SAPO‐34 with Low Template Consumption and Excellent Methanol‐to‐Olefin Conversion
Authors: Sun Qiming , Wang Ning , Bai Risheng , Chen Guangrui , Shi Zhiqiang , Zou Yongcun , Yu Jihong
Published: September 2018

Significant interest has emerged in the development of nanometer‐sized and hierarchical silicoaluminophosphate zeolites (SAPO‐34) because of their enhanced accessibility and improved catalytic activity for methanol‐to‐olefin (MTO) conversion. A series of nanometer‐sized SAPO‐34 catalysts with tunable hierarchical structures was synthesized in a Al2O3/H3PO4/SiO2/triethylamine(TEA)/H2O system by using a mesoporogen‐free nanoseed‐assisted method. The nanometer‐sized hierarchical SH‐3.0 catalyst (TEA/Al2O3=3.0) possessed the highest crystallinity, highest abundance of intracrystalline meso‐/macropores, and the most suitable acidity among all obtained catalysts, showing the highest ethylene and propylene selectivity of 85.4 %. This is the highest reported selectivity for MTO reactions under similar conditions. Detailed analysis of the coke produced during the reaction revealed that the small‐sized methyl‐substituted benzene and bulky methyl‐substituted pyrene were mainly located inside the crystals instead of on the surface of the crystals, which provided further insight into understanding the deactivation of the SAPO‐34 catalyst during MTO reaction. Significantly, the simple and cost‐effective synthetic process and superb catalytic performance of the nanometer‐sized hierarchical SAPO‐34 is promising for their practical large‐scale application for MTO conversion.
Surface Functional Groups and Electrochemical Behavior in Dimethyl Sulfoxide‐Delaminated Ti3C2Tx MXene
Authors: Qian Aniu , Seo Jung Yong , Shi Hu , Lee Jin Yong , Chung Chan‐Hwa
Published: September 2018

Functional groups in two‐dimensional (2D) Ti3C2Tx MXene are an important factor influencing electrochemical performance in many applications involving energy storage, electrochemical sensors, and water purification. However, after dimethyl sulfoxide (DMSO) delamination, the effect of surface functionalities in Ti3C2Tx is still unclear and there are no systematic reports on its capacitive behavior. Experiments and theoretical calculations confirm the relationship between different surface functionalities, the DMSO delamination effect, and the electrochemical behavior of the DMSO‐delaminated Ti3C2Tx. The dominant −O and −OH terminations are attributed for surfaces delaminated by using HF [Ti3C2Tx (HF)] and LiF/HCl [Ti3C2Tx (LiF/HCl)], respectively. Theoretical results are also in agreement with experimental results in that −OH terminations are essential for the formation of a free‐standing film. Compared to non‐delaminated Ti3C2Tx (HF) (similar O/F ratios of 1.37 and 1.42), there is a significant DMSO delamination effect for Ti3C2Tx (LiF/HCl) because of different O/F ratios of 2.9 and 3.6. Additionally, the delaminated Ti3C2Tx (LiF/HCl) electrodes deliver a higher capacitance of 508 F cm−3 than that of 333 F cm−3 for the delaminated Ti3C2Tx (HF), although it exhibited lower equivalent series resistance, lower interlayer spacing, and slightly lower specific surface area. This study provides direct and systematic experimental evidence for different functional groups in Ti3C2Tx MXene based on the DMSO delamination effect.
Template‐Directed Growth of Bimetallic Prussian Blue‐Analogue Nanosheet Arrays and Their Derived Porous Metal Oxides for Oxygen Evolution Reaction
Authors: Cao Li‐Ming , Hu Yu‐Wen , Zhong Di‐Chang , Lu Tong‐Bu
Published: September 2018

Coordination polymers (CPs) are ideal precursors for synthesizing porous catalysts. However, the direct thermolysis of CPs is prone to generate agglomerates, greatly reducing the electrical conductivity and active sites of their derived catalysts. The construction of well‐ordered CP nanostructures is a promising strategy for alleviating the above issue, but it remains challenging. Here, a facile chemical etching approach is developed for the fabrication of well‐aligned three‐dimensional (3D) bimetallic Prussian blue‐analogue nanosheet arrays. Impressively, the derived porous metal oxide (Fe–NiO) acts as a remarkable oxygen evolution reaction (OER) catalyst, which merely requires overpotentials as low as 218 and 270 mV to achieve 10 and 100 mA cm−2 in 1.0 m KOH aqueous solution, respectively. The excellent electrocatalytic performance of Fe–NiO is ascribed to the 3D porous nanosheet array architecture, which endows the bimetallic catalyst with abundant electrocatalytic active sites, enhanced surface permeability, and high electronic conductivity. It is expected that the proposed strategy can pave a new way for fabricating highly efficient electrocatalysts for energy storage and conversion.
Predictors of rehospitalization after percutaneous edge‐to‐edge mitral valve repair by MitraClip implantation
Authors: Keßler Mirjam , Seeger Julia , Muche Rainer , Wöhrle Jochen , Rottbauer Wolfgang , Markovic Sinisa
Published: September 2018

Background

In patients at increased surgical risk, transcatheter edge‐to‐edge mitral valve repair by MitraClip implantation for severe mitral regurgitation (MR) has proven to relieve symptoms of MR, reduce New York Heart Association (NYHA) functional class and improve quality of life. Rehospitalization for decompensated heart failure occurs frequently after MitraClip implantation, negatively impacting quality of life. We aimed here to determine predictors of 1‐year rehospitalization for decompensated heart failure.

Methods and results

A total of 355 consecutive patients who underwent MitraClip implantation at our centre were evaluated for their baseline and procedural characteristics, peri‐procedural outcome and clinical endpoints. Rate of rehospitalization for decompensated heart failure was reduced from 52.7% (n = 187) in the year before MitraClip procedure to 18.0% (n = 64) (P < 0.0001) in the first year after MitraClip implantation. The mean duration until rehospitalization was 117 days after MitraClip implantation. Multivariate Cox proportional hazards regression analysis identified baseline left ventricular ejection fraction (P = 0.020), baseline troponin T (P = 0.003) and pre‐procedural NYHA class (P = 0.020) as independent predictors for 1‐year rehospitalization after MitraClip implantation. Rehospitalization correlated significantly with all‐cause mortality (odds ratio 2.3, 95% confidence interval 1.3–4.1; P = 0.004) and cardiovascular mortality (odds ratio 3.3, 95% confidence interval 1.7–6.1; P = 0.0003).

Conclusion

After MitraClip implantation, annual rate of rehospitalization for decompensated heart failure was reduced by 65.8%. Baseline left ventricular ejection fraction, baseline troponin T and pre‐procedural NYHA functional class are independent predictors for rehospitalization within the first year after MitraClip implantation. Patients readmitted for decompensated heart failure after MitraClip implantation had a 2.3‐fold increased risk of all‐cause mortality and a 3.3‐fold increased risk of cardiovascular mortality compared to patients not requiring rehospitalization.
The association of serum leptin levels with food addiction is moderated by weight status in adolescent psychiatric inpatients
Authors: Peters Triinu , Antel Jochen , Föcker Manuel , Esber Simon , Hinney Anke , Schéle Erik , Dickson Suzanne L. , Albayrak Özgür , Hebebrand Johannes
Published: September 2018

Leptin is essential for the control of energy homeostasis and eating behaviour. We investigated potential associations between serum leptin levels and food addiction in adolescent psychiatric inpatients (n = 228). The most frequent psychiatric diagnoses were mood disorders, anxiety disorders, and substance use disorders. More than three quarters of the study group suffered from more than one psychiatric disorder. Food addiction was assessed with the Yale Food Addiction Scale. Leptin was determined in serum. Analyses were conducted for the whole body weight range and for distinct weight categories to evaluate a potential impact of known nonlinearity between leptin levels and satiety due to leptin resistance in obese. A weak negative association between food addiction and leptin in normal weight patients (ß = −0.11, p = .022) was detected. In contrast, food addiction was associated with a significantly higher serum leptin (ß = 0.16. p = .038) in overweight patients. Food addiction in normal weight patients might be associated with restrained eating, previously shown to involve reduced leptin levels. The small positive association of food addiction with higher serum leptin in overweight patients might reflect leptin resistance and overeating.
Pharmacological Inhibition of CCR2/5 Signaling Prevents and Reverses Alcohol‐Induced Liver Damage, Steatosis, and Inflammation in Mice
Authors: Ambade Aditya , Lowe Patrick , Kodys Karen , Catalano Donna , Gyongyosi Benedek , Cho Yeonhee , Iracheta‐Vellve Arvin , Adejumo Adeyinka , Saha Banishree , Calenda Charles , Mehta Jeeval , Lefebvre Eric , Vig Pamela , Szabo Gyongyi
Published: September 2018

Kupffer cell and macrophage (MØ) activation contributes to steatosis, inflammation, and fibrosis in alcoholic liver disease (ALD). We found increased frequency of MØ, T cells, and expression of C‐C chemokine receptor type 2 (Ccr2) and C‐C chemokine receptor type 5 (Ccr5) in the livers of patients with ALD, and increased circulating chemokines, C‐C chemokine ligand types 2 (CCL2), and C‐C chemokine ligand types 5 (CCL5) in patients with alcoholic hepatitis. We hypothesized that inhibition of CCL2 signaling with the dual CCR2/5 inhibitor, cenicriviroc (CVC), would attenuate ALD. In a mouse model of ALD, liver injury (alanine aminotransferase [ALT]) and steatosis were prevented by CVC whether administered as “prevention” throughout the alcohol feeding or as “treatment” started after the development of ALD. Alcohol‐induced increases in early liver fibrosis markers (sirius red, hydroxyproline, and collagen‐1) were normalized by both modes of CVC administration. We found that prevention and treatment with CVC reversed alcohol‐related increases in liver mRNA and protein expression of tumor necrosis factor (TNF)‐α, interleukin (IL)‐1β, IL‐6, and CCL2. CVC administration regimens prevented the increase in infiltrating MØ (F4/80lo CD11bhi) and reduced proinflammatory Ly6Chi MØ in livers of alcohol‐fed mice. CVC increased liver T‐cell numbers and attenuated Il‐2 expression without an effect on CD69+ or CD25+ T‐cell expression. In vitro, CVC inhibited CCL2‐induced increases in hepatocyte fatty acid synthase (Fasn) and adipose differentiation‐related protein (Adrp), whereas it augmented acyl‐coenzyme A oxidase 1 (Acox‐1), proliferator‐activated receptor gamma co‐activator alpha (Pgc1α) and uncoupling protein 2 expression, suggesting mechanisms for attenuated hepatocyte steatosis. We found that CCL2 and CCL5 sensitized hepatocytes to lipopolysaccharide‐induced liver injury (TNF‐α, ALT, and lactate dehydrogenase release). Alcohol feeding induced apoptosis (poly ADP‐ribose polymerase [PARP] and caspase‐3 [CASP‐3] cleavage) and pyroptosis (gasdermin D [GSDMD] cleavage) in livers, and CVC prevented both of these forms of cell death. Conclusion: Together, our data demonstrate preclinical evidence for CCR2/CCR5 inhibition with CVC as a potent intervention to ameliorate alcohol‐induced steatohepatitis and liver damage.
Mycotoxin‐assisted mitochondrial dysfunction and cytotoxicity: Unexploited tools against proliferative disorders
Authors: Islam Muhammad Torequl , Mishra Siddhartha Kumar , Tripathi Swati , de Alencar Marcus Vinícius Oliveira Barros , e Sousa João Marcelo de Castro , Rolim Hercília Maria Lins , de Medeiros Maria das Graças Freire , Ferreira Paulo Michel Pinheiro , Rouf Razina , Uddin Shaikh Jamal , Mubarak Mohammad Suleiman , Melo‐Cavalcante Ana Amélia de Carvalho
Published: September 2018

Mitochondria are the powerhouse of cells, which upon dysfunctions may lead to several diseases. Mycotoxins are the toxic secondary metabolites from fungi which are capable of causing diseases and death in humans and animals. They have a versatile mechanism of action in biological systems and can be used as lead compounds to treat some diseases including cancer. The present work encompasses analysis on the effects of mycotoxins on mitochondrial dysfunction. Electronic databases such as PubMed, ScienceDirect, Scopus, Web of Science, and Google Scholar were thoroughly searched for up‐to‐date published information associated with those mycotoxins and their effect on mitochondrial dysfunction. Findings suggest that mycotoxins such as citrinin, aflatoxin, and T‐2 toxin exert multi‐edged sword‐like effects in test systems causing mitochondrial dysfunction. Mycotoxins can induce oxidative stress even at low concentration/dose that may be one of the major causes of mitochondrial dysfunction. On the other hand, activation of apoptotic caspases and other proteins by mycotoxins may lead to apoptotic cell death. Thus, mycotoxins‐mediated mitochondrial dysfunction may be related to several chronic diseases which also makes these mycotoxins considerable as lead compounds for inducing toxic effects in cells. Their cytotoxic effects on cancer cells suggest their possible application as chemotherapeutic tools. © 2018 IUBMB Life, 70(11):1084–1092, 2018
Geographical differences exist in high‐value care delivery for inpatient management of cirrhosis: Cost conscious care in cirrhosis
Authors: Sobotka Lindsay A , Hinton Alice , Conteh Lanla F
Published: September 2018

Background and Aims

The United States spends more money per person on health care than any other country in the world. Patients with cirrhosis are at an increased risk of health‐care utilization. The aim of this study is to evaluate differences in health‐care utilization based on the region of treatment during the inpatient management of patients with cirrhosis.

Method

A retrospective database analysis using the Nationwide Inpatient Sample was performed, including adult patients with a primary diagnosis of cirrhosis determined by ICD‐9 codes. Univariate and multivariate analyses were performed to analyze liver decompensation, mortality, length of stay, and total charges in different regions across the United States.

Results

A total of 75 280 patients with cirrhosis who received treatment in nine different regions across the United States were included. Rates of liver decompensation were significantly decreased in the Pacific region compared to the New England region (OR: 0.69, 95% CI: 0.51–0.94). Length of stay was significantly different between regions; however, the means only varied by half a day and were of minimal clinical significance. Inpatient mortality rates were not significantly different between regions. Total charges for inpatient management between regions were significantly different, with the Pacific region having the highest total hospital charges with a mean of $82 731.

Conclusions

Health‐care utilization during the inpatient management of cirrhosis varies based on the region. The charges for treatment were the highest in the West despite no impact on mortality, minimal improvement in length of stay, and fewer features of decompensation on admission.
Nanodelivery strategies for the treatment of multidrug‐resistant bacterial infections
Authors: Jiang Lai , Lin Jia , Taggart Clifford C. , Bengoechea José A. , Scott Christopher J.
Published: September 2018

One of the most important health concerns in society is the development of nosocomial infections caused by multidrug‐resistant pathogens. The purpose of this review is to discuss the issues in current antibiotic therapies and the ongoing progress of developing new strategies for the treatment of ESKAPE pathogen infections, which is acronymized for Enterococcus faecium, Staphylococcus aureus, Klebsiella pneumoniae, Acinetobacter baumannii, Pseudomonas aeruginosa, and Enterobacter species. We not only examine the current issues caused by multidrug resistance but we also examine the barrier effects such as biofilm and intracellular localization exploited by these pathogens to avoid antibiotic exposure. Recent innovations in nanomedicine approaches and antibody antibiotic conjugates are reviewed as potential novel approaches for the treatment of bacterial infection, which ultimately may expand the useful life span of current antibiotics.
Inter‐decadal change of the spring North Atlantic Oscillation impact on the summer Pamir–Tienshan snow cover
Authors: Wu Junjie , Wu Zhiwei
Published: September 2018

Known as the “water tower of central Asia” and a crucial component of the Tibetan Plateau (TP), the Pamir–Tienshan snow cover (PTSC) exerts profound impacts on regional and global climate extremes during summer. However, researches on origins of the summer PTSC variability have not attracted adequate attention. In recent works, the spring North Atlantic Oscillation (NAO) has been shown to “prolong” its influence through the North Atlantic tri‐pole sea surface temperature anomalies (Tri‐SSTAs) and affect remote Asian climate in the subsequent summer. The present study discovers that the spring NAO has a significant positive correlation with the summer PTSC in the period 1967–1981, but such connection weakens after 1981. The North Atlantic Tri‐SSTAs induced by the spring NAO during these two epochs can both persist into ensuing summer but excite significantly different downstream atmospheric teleconnections. The Rossby wave train triggered by positive (or negative) Tri‐SSTAs during the 1967–1981 period exhibits an anomalous cyclonic (or anticyclonic) centre over the Pamir–Tienshan region, favouring an excessive (or reduced) PTSC. By contrast, such atmospheric anomaly centre is not evident during the 1982–2014 period. Numerical experiments suggest that westwards shift of the spring NAO northern centre can modulate the Tri‐SSTA pattern via the wind–evaporation–SST feedback, which could further result in the displacement of the atmospheric anomaly centres in the Rossby wave train in summer. Therefore, such change in the spring NAO itself is responsible for the inter‐decadal change of the spring NAO impact on the summer PTSC.
Approximation by truncated max‐product operators of Kantorovich‐type based on generalized (ϕ,ψ)‐kernels
Authors: Coroianu Lucian , Gal Sorin G.
Published: September 2018

Suggested by the max‐product sampling operators based on sinc‐Fejér kernels, in this paper, we introduce truncated max‐product Kantorovich operators based on generalized type kernels depending on two functions ϕ and ψ satisfying a set of suitable conditions. Pointwise convergence, quantitative uniform convergence in terms of the moduli of continuity, and quantitative Lp‐approximation results in terms of a K‐functional are obtained. Previous results in sampling and neural network approximation are recaptured, and new results for many concrete examples are obtained.
Electrofishing of Landlocked Fall Chinook Salmon Broodstock Negatively Impacts Egg Survival
Authors: Huysman Nathan , Voorhees Jill M , Meyer Hilary , Krebs Eric , Barnes Michael E
Published: September 2018

Electrofishing is frequently used to collect landlocked fall Chinook Salmon Oncorhynchus tshawytscha broodstock. This experiment compared reproductive parameters, including egg survival, from female salmon that had either been obtained by electrofishing or passively captured after ascending a fish ladder. Mean ± SE percent survival to the eyed stage of development was significantly lower for eggs spawned from females that had been electroshocked (16.66 ± 4.68%) compared to those from females obtained at the fish ladder (31.53 ± 3.55%). There were no significant differences in spawning female TL, postspawn weight, egg size, or fecundity between the two groups. A significant correlation was observed between the survival of eggs from electroshocked females and the frequency of female handling; no such correlation was observed in eggs from ladder-run females. Although electrofishing may be useful in gathering landlocked fall Chinook Salmon broodstock, lower egg survival can be expected. This may be mitigated, however, by decreasing the number of handling events to which fish are subjected prior to spawning.
Mid‐urethral slings in young, middle‐aged, and older women
Authors: Engen Madeleine , Svenningsen Rune , Schiøtz Hjalmar A. , Kulseng‐Hanssen Sigurd
Published: September 2018

Aims

To compare subjective and objective outcomes of mid‐urethral sling (MUS) surgery in women in different age decades and the utilization rates for MUS in Norwegian women.

Methods

Data from the national Norwegian Female Incontinence Registry on 21 832 women with stress or mixed urinary incontinence who underwent MUS surgery from 1998 to 2016 were used. Primary outcomes were treatment satisfaction and absence of objective stress leakage at 6‐12 months follow‐up and “MUS utilization rate.” Secondary outcomes were increase in urgency incontinence symptoms and surgical complications.

Results

Women in the sixth decade and older had more objective postoperative stress urinary leakage, and women in the seventh decade and older were less satisfied. Urgency incontinence symptoms (persistent and de novo) after MUS increased with age. Intermittent catheterization occurred significantly more often in the seventh decade and bladder perforation in the seventh and eighth decades. Women younger than the fifth decade had fewer complications, except the need for tape transection in the fourth decade. The “MUS utilization rate” increased in all age groups during the study period, but declined slightly in the oldest age group after 2010.

Conclusion

All age groups had a high percentage of “very satisfied” and no objective stress leakage at 6‐12 months follow‐up, but declining slightly with age after the sixth decade. Urgency incontinence symptom bother increased with age, but the overall complication rates were low. Our study strengthens the argument that management of stress urinary incontinence with MUS seems suitable regardless of age.
Cobalt Phthalocyanine Tetracarboxylic Acid Functionalized Polymer Monolith for Selective Enrichment of Glycopeptides and Glycans
Authors: Zhang Wenjuan , Song Naizhong , Zheng Haijiao , Feng Wei , Jia Qiong
Published: September 2018

In this study, poly(glycidyl methacrylate‐ethyleneglycol dimethacrylate) monolith functionalized with cobalt phthalocyanine tetracarboxylic acid is prepared. The polymer monolithic material is used for glycopeptides enrichment coupled with MALDI–TOF MS. By taking advantage of cobalt phthalocyanine including hydrogen bonds between isoindole subunits of phthalocyanine and glycans, coordination interaction between cobalt and glycopeptides, the monolithic material is successfully applied to the enrichment of glycopeptides efficiently and selectively. With IgG and horse radish peroxidase as the model glycoproteins, 28 and 17 glycopeptides could be identified respectively after enrichment with the monolith, only four and three glycopeptides could be obtained for direct analysis. The monolith is also employed to the digests mixture of BSA and IgG (50:1, m/m), indicating the high enrichment selectivity of glycopeptides even in the presence of a large interference ratio. The detection limit is determined to be 6.7 fmol, implying that the present method had great potential for trace sample analysis. In addition, the monolith was successfully applied to the enrichment of N‐linked glycans in human serum samples, demonstrating its great potential for the analysis of glycoproteins.
Red Emission of InGaN/GaN Multiple‐Quantum‐Well Light‐Emitting Diode Structures with Indium‐Rich Clusters
Authors: Meng Yulin , Wang Lianshan , Zhao Guijuan , Li Fangzheng , Li Huijie , Yang Shaoyan , Wang Zhanguo
Published: September 2018

The authors present the growth of InGaN/GaN multiple‐quantum‐well (MQW) light‐emitting diode (LED) structures, which show red emission. Transmission electron microscopy analyses proved that shell‐like and quantum‐dot‐like (QD‐like) clusters are formed in the initial four InGaN quantum well layers due in part to the lattice mismatch. The introduction of dislocations near the interfaces and interiors of MQWs induced high indium compositions in the InGaN quantum well layers. The room temperature photoluminescence (PL) measurement shows that the structure can emit the green to red broad spectral luminesce with major and minor peaks at 630 and 550 nm due to fluctuation of indium compositions in MQWs. In an electroluminescence (EL) spectrum measurement, the red emissions are blue shifted in the wavelength range from 630 to 609 nm with an increase of the injected currents from 5 to 100 mA.
Pseudo Jahn–Teller origin tracking for symmetry breaking in halogenabenzene: How can a bird fly?
Authors: Wang Ya , Liu Yang , Zheng Xiaonan
Published: September 2018

The cyclic iodabenzene molecule (CH)5I was first introduced and characterized as planar configuration and zwitterionic valence structure by Glukhovtsev in 1991. Recently, it caused researchers' great interest due to the theoretical discovery of a stable bird‐like structure by Hoffmann et al. in 2017 which has similar electronic structure and charge distribution as well‐known Meisenheimer complex C6H. Inspired by this, we continue to tell the halogenabenzene story by revealing the origin of the bird‐like structure and understanding how the electronic behavior affects the geometrical symmetry for a molecule. By combining the Pseudo Jahn–Teller effect (PJTE) theory with the ab initio calculations for halogenabenzenes (CH)5X (X = F, Cl, Br, I) and C6H, it is illustrated that the vibronic coupling of 1A1 ground state and 1B1 excited states with C2v planar structure along the out‐of‐plane b1 distortion triggers the symmetry breaking of planar configuration to form a preferred bird‐like structure. This interpretation can be also applied to explain their different stabilization energies by analyzing numerically the energy gaps of coupled electronic states and PJTE vibronic coupling parameters. Taking use of the PJTE formulation above, we also tracked the origin of restoring to be planar for (CH)5X2+ cation, as well as their isoelectronic species (CH)5O+ and (CH)5N, and suggests an effective strategy to stabilize the planar configuration for halogenabenzenes.
Modeling zinc‐oxygen coordination in histone deacetylase: A comparison of semiempirical methods performance
Authors: Pinheiro Pedro de Sena Murteira , Rodrigues Daniel Alencar , Sant'Anna Carlos Mauricio R. , Fraga Carlos Alberto Manssour
Published: September 2018

Semiempirical methods can be applied to calculations of much larger systems than classical ab initio or DFT methods, reaching accuracy sometimes comparable with more advanced levels of theory. These methods are important tools that can be used in research projects focused in structure‐based drug design (SBDD). Thus, a notion of the precision of each method in describing key‐interactions with target receptors is necessary. With this goal in mind, we applied several semiempirical methods (AM1, PM3, PM6, PM6‐D3, PM6‐D3H4, PM6‐DH2, PM6‐DH+, and PM7) for evaluation of the key‐interactions of some zinc‐dependent histone deacetylase (HDAC) inhibitors revealed by crystallographic structures, for which the AM1 and PM7 Hamiltonians generally failed to geometrically describe the bidentate coordination of the pan‐HDAC inhibitors with the Zn(II) ion. In addition, we also applied the same evaluations to Nexturastat A, a histone deacetylase 6 (HDAC6) selective inhibitor, in complex with the HDAC6, to find out how each semiempirical method represent the monodentate coordination profile with the Zn(II) ion when there is a competition with a hydrogen bond in the system. Our results showed a significant difference in the profile of each method and highlighted PM6‐DH2 as the best method for the description of the key‐interactions of Nexturastat A in HDAC6. Our data reinforce the necessity to always compare several semiempirical methods before performing SBDD studies with them.
Mg3F7: A superhalogen with potential for new nanomaterials design
Authors: Sikorska Celina
Published: September 2018

The stability of the Mg3F7 cluster and its ability to ionize nanoparticles has been investigated theoretically. At the CCSD(T) level of theory, the Mg3F7 cluster has been confirmed to be superhalogen due to its high adiabatic electron affinity (7.9 eV). The corresponding daughter anionic species (Mg3F7−) displays a highly symmetric (C3v) umbrella‐like structure and magic cluster stability. The extra electron of the Mg3F7− anion aggregates on the terminal fluorine ligands with non‐negligible distribution occurring on the bridging F units too. These two properties lower both the kinetic and potential energies of the extra electron respectively and thus lead to large electron binding energy. When interacting with the fullerene nanoparticle (C60), the radical neutral Mg3F7 superhalogen captures an electron and forms stable and strongly bound “binary salts” consisted of Mg3F7− anion and C60•+ radical cation. Thus, Mg3F7 can be used as an effective oxidizing agent to construct new ionized nanomaterials.
Peptide‐modified stainless steel with resistance capacity of Staphylococcus aureus biofilm formation
Authors: Cao Pan , He Xiaoyan , Xiao Jinfei , Yuan Chengqing , Bai Xiuqin
Published: September 2018

Attachment of marine fouling organisms causes biofouling. The adhesion of destructive organisms can be reduced through surface modification with antibiofilm chemicals. In this study, a direct surface modification between peptide solution with different concentrations and stainless steel was performed, and the reaction mechanism was explained by simulation of the modification process. Results of surface water contact angle and surface hardness indicated the optimal modification concentration of peptide solution was 10 μg/mL. Under the optimal concentration, peptide‐modified stainless steel was prepared through the reaction between peptide and 304 stainless steel. Results of scanning electron microscopy equipped with energy dispersive spectrometry, Fourier transform infrared spectroscopy, and X‐ray photoelectron spectroscopy demonstrated that the peptide was successfully bound on stainless steel surface. Antimicrobial activity of samples surface was tested against Staphylococcus aureus. The results illustrated that the peptide treated sample surface possesses significant antimicrobial property. The findings presented valuable information on marine antifouling researches.
Secondary ion mass spectrometry depth profiling of ultrathick films using an argon gas cluster source: Crater shape implications on the analysis area as a function of depth
Authors: Muramoto Shin , Collett Cayla
Published: September 2018

Argon cluster ions have enabled molecular depth profiling to unprecedented depths, with minimal loss of chemical information or changes in sputter rate. However, depth profiling of ultrathick films (>100 μm) using a commercial ion source oriented at 45° to the surface causes the crater bottom to shrink in size because of a combination of the crater wall angle, sputter rate differences along the trailing‐edge crater wall, and undercutting on the leading‐edge. The shrinking of the crater bottom has 2 immediate effects on dual‐beam depth profiling: first is that the centering of the analysis beam inside the sputter crater will no longer ensure the best quality depth profile because the location of the flat crater bottom progressively shifts toward the leading‐edge and second, the shifting of the crater bottom enforces a maximum thickness of the film that could be depth profiled. Experiments demonstrate that a time‐of‐flight secondary ion mass spectrometry instrument equipped with a 20 keV argon cluster source is limited to depth profiling a 180 μm‐thick film when a 500 μm sputter raster is used and a 100 μm square crater bottom is to be left for analysis. In addition, depth profiling of a multilayer film revealed that the depth resolution degrades on trailing‐edge side of the crater bottom presumably because of the redeposition of the sputtered flux from the crater wall onto the crater bottom.
Addressing schedule disruptions in business processes of advanced logistics systems
Authors: Thorisson Heimir , Alsultan Marwan , Hendrickson Daniel , Polmateer Thomas L. , Lambert James H.
Published: September 2018

Large‐scale logistics systems operate under uncertainties of schedule, cost, environmental impacts, reliability, and others rendering it critical for system operations to consider emergent and future conditions involving markets, technologies, environment, and organizations. Business process modeling is used widely to document the activities of an enterprise. Successful analysis of business processes requires explicit accounting for and evaluation of sources of potential disruptive risk. Previous research in the journal integrated risk identification to business process models. This paper creates a framework that evaluates the schedule disruption potential of identified sources of risk in logistics systems with the modeling of the associated business processes. The framework is demonstrated on a scheduling process at a marine container port. The methods first described in this paper should be integrated to software applications that diagram and analyze business processes of large‐scale systems.
A model of the factors influencing teaching identity among life sciences doctoral students
Authors: Lane Amanda Kelly , Hardison Carlton , Simon Ariana , Andrews Tessa C.
Published: September 2018

One barrier to the adoption of evidenced‐based teaching practices may be that faculty do not see teaching as an important part of their identities as professionals. Graduate school is a key time for professional identity development, and currently we know little about how doctoral students develop identities as college teachers. In this qualitative study, we aim to characterize the factors that promote and hinder teaching identity among 33 life sciences doctoral students with diverse career interests at one research university. We collected data using semi‐structured interviews and analyzed it using qualitative analysis closely aligned with grounded theory. Our analysis involved iteratively and collaboratively analyzing interview transcripts while considering existing literature about socialization and professional identity and remaining open to novel ideas in the data. From this analysis, we developed a mechanistic model of the factors that influenced teaching identity in our participants. Independent teaching experiences, teaching professional development, and teaching mentors contributed to salient and stable teaching identities among doctoral students. Being recognized by faculty as a teacher was also important, but rare. The professional culture that doctoral students perceived acted like a blizzard that they had to navigate through to develop a teaching identity. This culture strongly valued research over teaching, resulting in a sometimes cold and isolating environment for students interested in teaching. The culture also made it harder to see existing opportunities for teaching development and made it more challenging to move toward these opportunities, much like the deep snow and driving winds of a blizzard. The mechanistic model described in this work is an important first step in understanding how doctoral training influences teaching identity. This model serves as a hypothesis that should be tested and refined through additional empirical work across contexts.
Quiver subtractions
Authors: Cabrera Santiago , Hanany Amihay
Published: September 2018

Abstract

We study the vacuum structure of gauge theories with eight supercharges. It has been recently discovered that in the Higgs branch of 5d and 6d SQCD theories with eight supercharges, the new massless states, arising when the gauge coupling is taken to infinity, can be described in terms of Coulomb branches of 3d

$$ \mathcal{N}=4 $$

N
=
4

quiver gauge theories. The description of this new phenomenon draws from the ideas discovered in the analysis of nilpotent orbits as Higgs and Coulomb branches of 3d theories and promotes the Higgs mechanism known as the Kraft-Procesi transition to the status of a new operation between quivers. This is the quiver subtraction. This paper establishes this operation formally and examines some immediate consequences. One is the extension of the physical realization of Kraft-Procesi transitions from the classical to the exceptional Lie algebras. Another result is the extension from special nilpotent orbits to non-special ones. One further consequence is the analysis of the effect in 5d

$$ \mathcal{N}=1 $$

N
=
1

SQCD of integrating out a massive quark while the gauge coupling remains infinite. In general, the subtraction of quivers sheds light on the different types of singularities within the Coulomb branch and the structure of the massless states that arise at those singular points; including the nature of the new Higgs branches that open up. This allows for a systematic analysis of mixed branches of 3d

$$ \mathcal{N}=4 $$

N
=
4

quivers that do not necessarily have a simple embedding in string theory. The subtraction of two quivers is an extremely simple resource for the theoretical physicist interested in the vacuum structure of gauge theories, and yet its power is so remarkable that is bound to play a crucial role in the coming discoveries of new and exciting physics in 5 and 6 dimensions.