bluuebunny/crossref_metadata_2025 huggingface dataset:
Construction of Antibacterial N‐Halamine Polymer Nanomaterials Capable of Bacterial Membrane Disruption for Efficient Anti‐Infective Wound Therapy
Authors: Gao Yangyang , Song Nan , Liu Wenxin , Dong Alideertu , Wang Yan‐Jie , Yang Ying‐Wei
Published: January 2019

The increasing occurrence of bacterial infection at the wound sites is a serious global problem, demanding the rapid development of new antibacterial materials for wound dressing to avoid the abuse of antibiotics and thereby antibiotic resistance. In this work, the authors first report on antibacterial N‐halamine polymer nanomaterials based on a strategic copolymerization of 3‐allyl‐5,5‐dimethylhydantoin (ADMH) and methyl methacrylate (MMA), which exhibits in vitro and in vivo antimicrobial efficacy against pathogenic bacteria including Staphylococcus aureus and Escherichia coli. Particularly, when a biological evaluation is run for wound therapy, the N‐halamine polymer nanomaterials exhibit a powerful antibacterial efficiency and wound healing ability after a series of histological examination of mouse wound. After the evaluation of biological and chemical surroundings, the proposed four‐stage mechanism suggests that, with unique antibacterial NCl bonds, the N‐halamine polymer nanomaterials can disrupt the bacterial membrane, as a result causing intracellular content leaked out and thereby cell death. Based on the synergistic action of antibacterial and wound therapy, the N‐halamine polymer nanomaterials are expected to be promising as wound dressing materials in medical healing and biomaterials.
Fractional powers of the Stokes operator with boundary conditions involving the pressure
Authors: Al Baba Hind
Published: January 2019

Since the pioneer work of Leray [23] and Hopf [17], Stokes and Navier–Stokes problems have been often studied with Dirichlet boundary condition. Nevertheless, in the opinion of engineers and physicists such a condition is not always realistic in industrial and applied problems of origin. Thus arises naturally the need to carry out a mathematical analysis of these systems with different boundary conditions, which best represent the underlying fluid dynamic phenomenology. Based on the study of the complex and fractional powers of the Stokes operator with pressure boundary condition, we carry out a systematic treatment of the Stokes problem with the corresponding boundary conditions in ‐spaces.
The effect of activity identity fusion on negative consumer behavior
Authors: Hawkins Matthew A.
Published: January 2019

Negative consumer behavior is an important research topic as it explores consumer behaviors that threaten a brand's image and financial stability. However, prior research offers conflicting findings on whether a strong consumer‐brand relationship hurts or protects a brand after a market disruption or a brand transgression. To provide clarity on this issue, this work argues that disrupting the consumer‐activity relationship motivates consumers to reaffirm and protect their identity, thereby leading to negative consumer behavior. The data reveal that, after a brand‐initiated market disruption, consumers with high activity identity fusion are more likely to spread negative word‐of‐mouth, boycott the brand, and avoid repurchasing the brand in the future. Moreover, the data suggest that high brand identity fusion protects the brand during market disruptions; therefore, prior conflicting results may be due to the fact that the consumer‐activity relationship was not accounted for. Theoretically, this work establishes that consumers' relationship with their consumption activities has significant impacts on consumer behavior. Brand managers and marketers are urged to develop strategies that focus on strengthening the consumer‐brand relationship and not the consumer‐activity relationship.
What motivates users to hashtag on social media?
Authors: Rauschnabel Philipp A. , Sheldon Pavica , Herzfeldt Erna
Published: January 2019

Hashtags (i.e., the # symbol) are gaining increased popularity among social media users. However, despite their intense use, little is known about their meanings. Only a few published studies have investigated fragmented aspects of hashtags and treated them as a functional means to structure content. In this study, we provide evidence that hashtags’ meanings go beyond structuring or spreading content and represent an integral element of contemporary communication via social media. In particular, this study presents a series of six empirical studies, following traditions in grounded theory and measurement theory research, to systematically assess motivations for using hashtags. The results uncover the existence of 10 different motivations for use (amusing, organizing, designing, conforming, trendgaging, bonding, inspiring, reaching, summarizing, and endorsing). In addition, we show how these motivations differ between platforms and also relate to different patterns of social media behavior. The results contribute to a better academic understanding of social media, provide managers with profound insights and can guide marketing tactics with hashtags.
Utilizing hydrolyzed powder recyclates as filler in polystyrene
Authors: Kismet Y. , Wagner M.H.
Published: January 2019

In the present study, hydrolyzed powder coating wastes were used as filler materials in polystyrene compounds, and the effect on the mechanical properties, melt flow index and density of polystyrene compounds were investigated. Epoxy/polyester, epoxy and polyurethane systems with thermoset structure were used as powder coating recyclates. After separately hydrolyzing these wastes, 5 %, 10 %, 20 % and 30 % by weight were homogeneously mixed with polystyrene, initially mechanically and subsequently with an extruder in the melt at 180 °C. The resulting compounds were cooled and granulated, and by use of an injection molding machine at 180 °C to 200 °C, standard tensile test bars were produced. Tensile strength, bending strength and izod impact strength of the test bars were measured and the variations of the mechanical properties of the polystyrene compounds as a function of the type and amount of filler were examined. In addition, melt flow index and density of the compounds were determined. Furthermore, the bonding mechanism of filler and matrix material was examined by electron microscopy.
Emerging role of EPHX1 in chemoresistance of acute myeloid leukemia by regurlating drug‐metabolizing enzymes and apoptotic signaling
Authors: Cheng Hui , Huang Chongmei , Tang Gusheng , Qiu Huiying , Gao Lei , Zhang Weiping , Wang Jianmin , Yang Jianmin , Chen Li
Published: January 2019

Microsomal epoxide hyrolase 1 (EPHX1) is a critical biotransformation enzyme and participants in both the detoxification and activation of potentially genotoxic epoxides. In this study, we firstly aimed to investigate the role of EPHX1 in the chemoresistance of acute myeloid leukemic cells to aclarubicin (ACM) and mitoxantrone (MIT). EPHX1 mRNA expression and prognosis were measured in acute myeloid leukemia (AML) patients, and the function of EPHX1 in leukemic cell viability and apoptosis induced by ACM and MIT was also measured. Our results found that EPHX1 expression is obviously associated with recurrence rate, overall survival and time of obtaining first complete remission in AML patients. EPHX1 silencing promoted ACM and MIT induced decrease in cell viability and cell apoptosis of HL‐60, K562, and THP‐1 that was inhibited by EPHX1 overexpression. EPHX1 reduced the susceptibility of leukemic cells to ACM and MIT by regulating drug‐metabolizing enzymes (CYP1A1, GSTM1, and GSTT1) and apoptotic signaling (Bax, Bcl‐2, Caspase‐3, Caspase‐9, and PARP1). Moreover, Nrf2 overexpression significantly increased EPHX1 expression and leukemic cell viability and decreased leukemic cell apoptosis. Taken together, we summarized the recent findings about the chemoresistance‐promoting role of EPHX1, and the potential of targeting EPHX1 was proposed to counteract drug resistance in leukemia treatment.
Non‐coding and coding genomic variants distinguish prostate cancer, castration‐resistant prostate cancer, familial prostate cancer, and metastatic castration‐resistant prostate cancer from each other
Authors: Alanazi Ibrahim O. , Al Shehri Zafer S. , Ebrahimie Esmaeil , Giahi Hassan , Mohammadi‐Dehcheshmeh Manijeh
Published: January 2019

A considerable number of deposited variants has provided new possibilities for knowledge discovery in different types of prostate cancer. Here, we analyzed variants located on 3′UTR, 5′UTR, CDs, Intergenic, and Intronic regions in castration‐resistant prostate cancer (8496 variants), familial prostate cancer (3241 variants), metastatic castration‐resistant prostate cancer (3693 variants), and prostate cancer (16599 variants). Chromosome regions 10p15‐p14 and 2p13 were highly enriched (P < 0.00001) for variants located in 3′UTR, 5′UTR, CDs, intergenic, and intronic regions in castration‐resistant prostate cancer. In contrast, 10p15‐p14, 10q23.3, 12q13.11, 13q12.3, 1q25, and 8p22 regions were enriched (P < 0.001) in familial prostate cancer. In metastatic castration‐resistant prostate cancer, 10p15‐p14, 10q23.3, 11q22‐q23, 14q21.1, and 14q32.13 were highly variant regions (P < 0.001). Chromosome 2 and chromosome 1 hosted many enriched variant regions. AKR1C3, BRCA1, BRCA2, CHGA, CYP19A1, HOXB13, KLK3, and PTEN contained the highest number of 3′UTR, 5′UTR, CDs, Intergenic, and Intronic variants. Network analysis showed that these genes are upstream of important functions including prostate gland development, tumor recurrence, prostate cancer‐specific survival, tumor progression, cancer mortality, long‐term survival, cancer recurrence, angiogenesis, and AR. Interestingly, all of EGFR, JAK2, NR3C1, PDZD2, and SEMA3C genes had single nucleotide polymorphisms (SNP) in castration‐resistant prostate cancer, consistent with high selection pressure on these genes during drug treatment and consequent resistance. High occurrence of variants in 3′UTRs suggests the importance of regulatory variants in different types of prostate cancer; an area that has been neglected compared with coding variants. This study provides a comprehensive overview of genomic regions contributing to different types of prostate cancer.
Population Structure of Atlantic Croakers from the Gulf of Mexico: Evaluating a Single-Stock Hypothesis Using a Genomic Approach
Authors: Anderson Joel D. , O'Leary Shannon J. , Cooper Pearce T.
Published: January 2019

The geographic structure of marine fish populations is an important element used in defining stock units, and genetic data have historically been used for this purpose. Here, genetic data were used to elicit population genomic patterns for Atlantic Croakers Micropogonias undulatus collected at five locations in the Gulf of Mexico (hereafter, “Gulf”) and a single location in the southern U.S. Atlantic. Mitochondrial DNA (mtDNA) haplotypes were used as a baseline for historical lineage delineation and in a comparison with a previous Atlantic Croaker study that was centered on the Atlantic coast. A genomic data set consisting of 3,682 single-nucleotide polymorphism (SNP)-containing loci was used to assess contemporary gene flow throughout the sampled area. Both the mtDNA and SNP data sets showed significant between-basin estimates of genetic divergence (ɸst = 0.049 and FST = 0.002, respectively), while pairwise FST implied a low magnitude of divergence (FST ≤ 0.002) at all geographic scales. Comparison of patterns obtained from putatively “neutral” versus “outlier” SNP loci suggested contrasting genetic patterns at the extremes of the sampling distribution in the Gulf. Putatively neutral SNPs implied a single stock in the Gulf, whereas a handful of outliers suggested distinct populations in the eastern and western Gulf. The pattern observed at outlier loci could imply either the presence of natural selection impacting a small number of loci or otherwise could be explained as a remnant pattern reflective of historical geographic isolation. In either case, the weak population structure observed at a small number of SNP loci may be indicative of a more significant demographic structure; for this reason, caution is urged when treating Atlantic Croakers as a single stock in the Gulf.
Effect of a Mammal Excluder Device on Trawl Catches of Salmon and Other Pelagic Animals
Authors: Wainwright Thomas C. , Emmett Robert L. , Weitkamp Laurie A. , Hayes Sean A. , Bentley Paul J. , Harding Jeffrey A.
Published: January 2019

Concern about bycatch of marine mammals by fishery research gear has led to the use of mammal excluder devices (MEDs) in some surveys. We measured the effect of a rigid-grate MED on trawl fishing effectiveness for juvenile Pacific salmon Oncorhynchus spp. and other upper-pelagic species in the northern California Current. Catches of 11 taxa were compared among sets of a pelagic rope trawl without an MED and with an MED in two orientations: angled upward or angled downward. We estimated differences in overall catch ratios and size selectivity for each MED orientation compared to the unmodified net. The MED orientation had a species-specific influence on both catch ratio and size selectivity, with median ratios ranging from 0.0 to 1.8 for the upward orientation and from 0.4 to 2.7 for the downward orientation. Video observations helped to explain performance differences and may help to improve MED design. Use of an MED in trawl surveys may substantially increase or decrease the catch of various taxa, contributing further uncertainty to the analysis of survey time series for either abundance or catch composition.
Sample enrichment for clinical trials to show delay of onset in huntington disease
Authors: Paulsen Jane S. , Lourens Spencer , Kieburtz Karl , Zhang Ying
Published: January 2019

Background

Disease‐modifying clinical trials in persons without symptoms are often limited in methods to assess the impact associated with experimental therapeutics. This study suggests sample enrichment approaches to facilitate preventive trials to delay disease onset in individuals with the dominant gene for Huntington disease.

Methods

Using published onset prediction indexes, we conducted the receiver operating curve analysis for diagnosis within a 3‐year clinical trial time frame. We determined optimal cut points on the indexes for participant recruitment and then conducted sample size and power calculations to detect varying effect sizes for treatment efficacy in reducing 3‐year rates of disease onset (or diagnosis).

Results

Area under the curve for 3 onset prediction indexes all demonstrated excellent value in sample enrichment methodology, with the best‐performing index being the multivariate risk score (MRS).

Conclusions

This study showed that conducting an intervention trial in premanifest and prodromal individuals with the gene expansion for Huntington disease is highly feasible using sample enrichment recruitment methods. Ongoing natural history studies are highly likely to indicate additional markers of disease prior to diagnosis. Statistical modeling of identified markers can facilitate participant enrichment to increase the likelihood of detecting a difference between treatment arms in a cost‐effective and efficient manner. Such variations may expedite translation of emerging therapies to persons in an earlier phase of the disease.

Trial Registration

PREDICT‐HD is registered with www.clinicaltrials.gov, number NCT00051324. © 2019 International Parkinson and Movement Disorder Society
An algorithm for the simulation of curvilinear plane‐strain and axisymmetric hydraulic fractures with lag using the universal meshes
Authors: Grossman‐Ponemon Benjamin E. , Lew Adrian J.
Published: January 2019

We present an algorithm to simulate curvilinear hydraulic fractures in plane strain and axisymmetry. We restrict our attention to sharp fractures propagating in an isotropic, linear elastic medium and driven by the injection of a laminar, Newtonian fluid governed by lubrication theory, and we require the existence of a finite lag region between the fluid front and the crack tip. The key novelty of our approach is in how we discretize the evolving crack and fluid domains: we utilize universal meshes (UMs), a technique to create conforming triangulations of a problem domain by only perturbing nodes of a universal background mesh in the vicinity of the boundary. In this way, we construct meshes, which conform to the crack and to the fluid front. This allows us to build standard piecewise linear finite element spaces and to monolithically solve the quasistatic hydraulic fracture problem for the displacement field in the rock and the pressure in the fluid. We demonstrate the performance of our algorithms through three examples: a convergence study in plane strain, a comparison with experiments in axisymmetry, and a novel case of a fracture in a narrow pay zone.
Long‐term treatment of older patients with overactive bladder using a combination of mirabegron and solifenacin: a prespecified analysis from the randomized, phase III SYNERGY II study
Authors: Mueller Elizabeth R. , van Maanen Rob , Chapple Christopher , Abrams Paul , Herschorn Sender , Robinson Dudley , Stoelzel Matthias , Yoon Sang J. , Al‐Shukri Salman , Rechberger Tomasz , Gratzke Christian
Published: January 2019

Aims

SYNERGY II was a 12‐month phase III trial in patients with overactive bladder (OAB) symptoms that investigated the safety and efficacy of the combination of mirabegron and solifenacin in comparison with each monotherapy. This analysis evaluated the trial findings using four age subgroups (<65, ≥65, <75, and ≥75 years).

Methods

Eligible patients were ≥18 years with symptoms of “wet” OAB (urinary frequency and urgency with incontinence) for ≥3 months. Patients were randomized to receive once‐daily solifenacin succinate and mirabegron (5 mg/50 mg; combination), solifenacin succinate, or mirabegron (4:1:1). Safety evaluations: treatment‐emergent adverse events (TEAEs), vital signs, and electrocardiogram, post‐void residual volume, and laboratory assessments. Primary efficacy variables: change from baseline to end of treatment in number of incontinence episodes/24 h and micturitions/24 h.

Results

Of 1794 patients (full analysis set), 614 (34.2%) and 168 (9.4%) were ≥65 and ≥75 years old, respectively. Overall, 856 (47.2%) patients experienced ≥1 TEAE. Higher TEAE incidences were typically observed for the combination versus both monotherapies (eg, constipation) and in the older versus younger age groups (eg, urinary tract infection). Increases in mean pulse rate from baseline of >1 bpm were noted in the combination and mirabegron younger age groups only. No clinically significant findings were observed in the other safety parameters. The efficacy variables improved with all treatments and the greatest improvements were typically observed with combination therapy.

Conclusions

Mirabegron and solifenacin combination therapy was a well‐tolerated and effective treatment for patients with OAB symptoms irrespective of their age.
High Adherence to Oral Nutrition Supplements Prescribed by Dietitians: A Cross‐Sectional Study on Hospital Outpatients
Authors: Liljeberg Evelina , Andersson Agneta , Blom Malmberg Karin , Nydahl Margaretha
Published: January 2019

Background

This study aimed to assess adherence to oral nutrition supplements (ONS) among hospital outpatients and to assess patient characteristics, experiences of ONS, and the characteristics of ONS prescriptions in clinical practice.

Methods

Hospital outpatients aged ≥18 years and prescribed ONS by a dietitian at a Swedish hospital were referred to the study from September 2016 to February 2017. Data were collected from structured telephone interviews, medical records, and a register of ONS delivered. Adherence to ONS was measured by dividing self‐reported intake of ONS (frequency question and 24‐hour recall question) by the amount prescribed and using the medication possession ratio (MPR).

Results

Of the 96 patients included (mean age 67 ± 13 years), 52% were male. The 2 most frequent medical diagnoses were malignancy and digestive system disease. Mean adherence to ONS was 93% measured by the frequency question, 87% measured by the 24‐hour recall question, and 76% according to MPR. The majority of the patients (83%) were prescribed 1–3 bottles of ONS/day. The average number of flavors of ONS delivered was 4.2. Before prescription, 69% of the patients had been allowed to taste the ONS and 92% had chosen the flavors to be prescribed. Over 75% liked the taste of the ONS and considered them to be good for their health.

Conclusions

Adherence to ONS was high in this population, which might be explained by the individual tailoring of ONS prescriptions by a dietitian, positive experiences of ONS, and the relatively young mean age of the participants.
Grubbs Catalysts Immobilized on Merrifield Resin for Metathesis of Leaf Alcohols by using a Convenient Recycling Approach
Authors: Xia Liang , Peng Tao , Wang Gang , Wen Xiaoxue , Zhang Shouguo , Wang Lin
Published: January 2019

Three new types of heterogeneous catalysts were prepared using a facile approach by the immobilization of Grubbs catalysts on PEGylated Merrifield resin. One of the immobilized catalysts was more efficient than the free catalyst for the metathesis of leaf alcohols in conversion and selectivity and was reused repeatedly (up to 5 cycles) with only a slight loss of activity (10.5 %). The long‐chain PEGylated linker provided an appropriate distance between the resin and the catalytic center so that the ruthenium catalysts acted as the free catalyst.
Effect of an α‐Methyl Substituent on the Dienophile on Diels‐Alder endo:exo Selectivity
Authors: Larrañaga Olatz , de Cózar Abel
Published: January 2019

A detailed computational study of the Diels‐Alder reaction of cyclopentadiene with acrylonitrile, methylacrylate and their α‐methylated counterparts methacrylonitrile and methyl methacrylate at the M06‐2X(PCM)/TZVP level of theory has been performed. We want to understand the excellent exo‐selectivities observed experimentally due the presence of this substituent. To this end, analysis of the reaction coordinate by means of activation strain model of chemical reactivity (ASM‐distortion interaction model) including solvation effects and NBO second order perturbation energy have been carried out.
In‐depth analysis of crocetin ester glycosides from dried/processed stigmas of Crocus sativus L. by HPLC‐ESI‐MSn (n = 2, 3)
Authors: Pittenauer Ernst , Rados Edita , Tsarbopoulos Anthony , Allmaier Günter
Published: January 2019

Introduction

Saffron stigmas from Crocus sativus L. (Iridaceae) are used as a drug in folk medicine, as a food additive and as a dying agent for at least 3500 years. Despite this long‐term use the chemical composition of saffron seems still to be not fully known.

Objective

An analytical strategy for detailed investigations of aqueous saffron extract is developed based on reverse‐phase high‐performance liquid chromatography electrospray ionisation (HPLC‐ESI) multistage mass spectrometry (MSn) for crocins.

Methods

Commercially available stigmas are analysed by reverse‐phase HPLC in combination with ESI/three‐dimensional (3D)‐ion trap mass spectrometry (MS) and MSn (n = 2 and 3). Sodium chloride is added to the analyte solution ready for injection to promote abundant [M + Na]+ adduct ions of crocins, being ideal precursor ions for low‐energy collision‐induced dissociation (CID)‐MS2/3.

Results

This strategy allows the detailed structural elucidation of known as well as previously unknown crocin derivatives (molecular mass of the aglycon, oligosaccharide chain length and linkage determination). The two isomeric trisaccharide substituents neapolitanose and gentiotriose are distinguished based on linkage‐specific cross‐ring cleavage for the first time. Furthermore, crocins containing up to six hexose units are also observed. Five novel crocin ester glycosides shifted by a mass difference of −40 Da indicate the presence of the here newly described C17‐aglycon, termed norcrocetin (crocetin = C20).

Conclusions

These findings indicate the action of at least two different carotenoid cleavage dioxygenases (CCD2 and tentatively CCD4) during biosynthesis of this new bis‐apocarotenoid aglycon (norcrocetin) and the existence of even higher glycosylated crocin derivatives at trace level.
Plastics Engineering in 2019: The Technological Runway Ahead
Authors: Romeo Jim
Published: January 2019

As we enter 2019, plastics fabrication, injection molding, and all types of plastics manufacturing are undergoing change. Case in point: at a Lego plant in Billund, Denmark, the plastic toy bricks have hardly changed their composition in nearly 50 years. Now, like many other firms, Lego is joining the bandwagon of sustainable plastics by setting a goal to fabricate its toys from plant‐based, recycled materials by 2030. This decision represents one of many changes to come in the plastics industry as we launch into 2019 with new manufacturing methods, techniques, and materials.
Mechanisms of adhesion degradation at the photovoltiac module's cell metallization‐encapsulant interface
Authors: Bosco Nick , Moffitt Stephanie , Schelhas Laura T.
Published: January 2019

Adhesion measurements and chemical characterization of the encapsulant/silver metallization interface of a photovoltaic (PV) module through temperature, humidity, and voltage bias exposures were conducted. Results demonstrate two independent degradation mechanisms: (a) with voltage bias, the ionic conduction of Na+ ions through the encapsulant results in the formation of sodium silicate at the silver metallization surface, thereby weakening that interface and (b) with moisture ingress, dissociation of the silane bonding to silver in the silver oxide similarly weakens this interface resulting in significantly lower debond energies.
Greenhouse gas formation in ice wedges at Cyuie, central Yakutia
Authors: Kim Kyungmin , Yang Ji‐Woong , Yoon Hyunsuk , Byun Eunji , Fedorov Alexander , Ryu Yeongjun , Ahn Jinho
Published: January 2019

Greenhouse gases (GHGs) trapped in ice wedges may provide useful information on biogeochemical environments in ground ice. Previous studies have reported highly elevated CO2 and CH4 mixing ratios in ice wedges. However, N2O mixing ratios in ice wedges remain unknown. Here, we present CO2, CH4 and N2O mixing ratios in bubbles and plausible mechanisms of GHG formation for two lakeside ice wedges at Cyuie village near Yakutsk. The CO2 gas age corresponds to the Last Glacial Maximum (18–19 ka). The δ(N2/Ar) values and bubble shapes indicate that the ice wedges formed by dry snow compaction rather than snowmelt water refreezing, while the δ18O and δD values of the ice indicate changes in the source area location and/or the climate during the Last Glacial Maximum. Using a dry extraction method, we obtained gas mixing ratios of 7–13% CO2, 5–130 ppm CH4 and 100–5000 ppb N2O. The δ(O2/Ar) values imply that most of the O2 was consumed by biological respiration. The CH4 is negatively correlated with N2O and CO2. The N2O might have inhibited CH4 production.
Terbutaline alleviates the lung injury in the neonatal rats exposed to endotoxin: Potential roles of epithelial sodium channels
Authors: Lu Keyu , Chen Xu , Zhu Weiwei , Mao Xiaonan , Yang Yang , Qiu Jie , Zhang Mingshun , Cheng Rui
Published: January 2019

Intrauterine inflammation generates inflammatory mediators that damage the developing bronchoalveolar epithelium, resulting in neonatal lung injury. Lung fluid transport disorders are the main reasons for the development of pulmonary edema, an important pathology of lung injury. Previous studies suggested that epithelial sodium channels (ENaCs) play an important role in lung fluid transport. Here, we investigated whether changes in the expression of ENaCs were observed when neonatal rat lung injury was induced by maternal exposure to endotoxin. We also examined the therapeutic effect of terbutaline nebulizer inhalation on this injury. The results showed that maternal exposure to endotoxin increased the levels of TNF‐α and IL‐1β in bronchoalveolar lavage fluid, suppressed α‐, β‐, γ‐ENaC in the neonatal rat lung, and resulted in the formation of pulmonary edema on postnatal days 1 and 7. Terbutaline up‐regulated the expression of β‐ and γ‐ENaC in the distal lung after 7 days of treatment. The potential signal molecules cAMP, PKA, and CREB expressions were increased after terbutaline treatment. In summary, maternal exposure to endotoxin decreased the expression of ENaCs in neonatal rats which, in turn, may exacerbate pulmonary edema. Inhalation of the β2‐adrenergic receptor agonist terbutaline improved lung liquid clearance. By increasing the expression of sodium ion channels, the effective removal of alveolar fluid provides a new way for the prevention and treatment of neonatal lung injury.
Genetic determinants of acute asthma therapy response in children with moderate‐to‐severe asthma exacerbations
Authors: Tse Sze Man , Krajinovic Maja , Chauhan Bhupendrasinh F. , Zemek Roger , Gravel Jocelyn , Chalut Dominic , Poonai Naveen , Quach Caroline , Laberge Sophie , Ducharme Francine M. ,   for the DOORWAY research group of the Pediatric Emergency Research in Canada (PERC) network
Published: January 2019

Background

We documented inter‐individual variability in the response to acute asthma therapy in children, attributed in part to five clinical factors (oxygen saturation, asthma severity score, virus detection, fever, symptoms between exacerbations; DOORWAY study). The contribution of genetic determinants of failure of acute asthma management have not been elucidated.

Objective

We aim to determine single nucleotide polymorphisms (SNP) associated with emergency department (ED) management failure in children.

Methods

A prospective cohort of 591 Caucasian children aged 1‐17 years with moderate‐to‐severe asthma managed with standardized protocol were included. We examined 53 SNPs previously associated with asthma development, phenotypes, or bronchodilator or corticosteroids response. Associations between SNPs and management failure (hospitalization, active asthma management ≥8 h in ED, or a return visit within 72 h for one of two previous criteria) were examined using logistic regression, adjusting for the five clinical predictors of management failure.

Results

Four‐hundred ninety‐one subjects had complete clinical data and usable DNA samples. While controlling for clinical determinants, rs295137 in SPATS2L (OR = 1.77, 95%CI: 1.17, 2.68) was significantly associated with increased odds of ED management failure. Two SNPs in IL33 were associated with decreased odds of ED management failure: rs7037276 (OR = 0.55, 95%CI: 0.33, 0.90), and rs1342326 (OR = 0.52, 95%CI: 0.32, 0.86). The addition of these three SNPs to the clinical predictors significantly improved the model's predictive performance (P < 0.0004).

Conclusion

Three SNPs were significantly associated with ED management failure in addition to clinical predictors, contributing to inter‐individual variability. None has been previously associated with treatment response to acute asthma management.
Energy Band Alignment of a Monolayer MoS2 with SiO2 and Al2O3 Insulators from Internal Photoemission
Authors: Shlyakhov Ilya , Chai Jianwei , Yang Ming , Wang Shijie , Afanas'ev V. V. , Houssa Michel , Stesmans Andre
Published: January 2019

Internal photoemission of electrons (IPE) from large area one monolayer 2H‐MoS2 films synthesized on top of amorphous (a−) SiO2 or Al2O3 is used to determine the energy of the semiconductor valence band (VB) relative to the reference level of the insulator conduction band (CB). This allows us to compare the VB top energy in MoS2 to that of the (100)Si substrate crystal at the interface with the same insulator. Despite the CB in a–Al2O3 is found to be ≈1 eV below that in SiO2 as measured relative to the Si VB edge, the authors observe nearly no shift of the spectral threshold in the case of IPE from the MoS2 VB. This observation indicates violation of electroneutrality at the MoS2/a–Al2O3 interface causing an increase in barrier by ≈1 eV. This conclusion is supported by the much weaker field dependence of the IPE threshold at the MoS2/a–Al2O3 interface compared to the MoS2/a–SiO2 one, suggesting the presence of negative charges and/or interface dipoles. Therefore, the commonly accepted electron affinity rule (EAR) appears to be not appropriate to describe the band alignment at 2D/insulator interfaces.
Topologically Protected Doubling of Tilted Dirac Fermions in Two Dimensions
Authors: Kawarabayashi Tohru , Aoki Hideo , Hatsugai Yasuhiro
Published: January 2019

The doubling of massless Dirac fermions on two‐dimensional lattices is theoretically studied. It has been shown that the doubling of massless Dirac fermions on a lattice with broken chiral symmetry is topologically protected even when the Dirac cone is tilted. This is due to the generalized chiral symmetry defined for lattice systems, where such models can be generated by a deformation of the chiral‐symmetric lattice models. The present paper shows for two‐band lattice models that this is a general way to produce systems with the generalized chiral symmetry in that such systems can always be transformed back to a lattice model with the conventional chiral symmetry. Specifically it is shown that the number of zero modes is an invariant of the transformation, leading to the topological protection à la Nielsen‐Ninomiya of the doubling of tilted and massless Dirac fermions in two dimensions.
Preparation of a Boronate‐Functionalized Affinity Silica Hybrid Monolith Column for the Specific Capture of Nucleosides
Authors: Zheng Hongwei , Lin Hong , Sui Jianxin , Yin Jialuo , Wang Bocheng , Pavase Tushar Ramesh , Cao Limin
Published: January 2019

In this study, a boronate affinity silica hybrid monolith was prepared for specific capture of nucleosides at physiological condition. An amino‐functionalized monolith was first synthesized via one‐step procedure in an empty HPLC column, then the fluorophenylboronic acid ligand was covalently immobilized on the amino‐functionalized hybrid monolith via in‐column reduction by sodium cyanoborohydride to form a boronate affinity silica hybrid monolith at room temperature (nearly 25°C). The mechanical stability and permeability of the boronate affinity hybrid monolith were characterized using scanning electron microscope (SEM) and Fourier transform infrared spectroscopy (FT‐IR). The boronate affinity silica hybrid monolith exhibited excellent specificity toward nucleosides and could bind with cis‐diol containing compounds at low pH (6.5). The binding capacity of the monolith for adenosine was nearly 693 μg/mL even at pH 6.5. Furthermore, the boronate affinity monolith was applied to the separation of nucleosides from urine sample at physiological condition. The obtained result revealed that the monolith could enrich nucleosides effectively with a good repeatability. The recovery values for the four nucleosides spiked at the concentration of 4 μg/mL were observed in the range of 76.58 ‐ 83.01%, and the RSDs were < 7.65%, respectively.
Bis‐Pyridyl Diimines as Selective and Ratiometric Chemosensor for Ni(II) and Cd(II) Metal Ions
Authors: Das Moyna , Sarkar Madhushree
Published: January 2019

A pyridyl based Schiff base compound, (1E,1′E)‐N,N′‐(butane‐1,4‐diyl)bis(1‐(pyridin‐2‐yl)methanimine) (2pdab) was observed to serve as a highly selective and sensitive ratiometric chemosensor for Ni2+ and Cd2+ ions. Mole ratio method and Yoe Jone's method showed a 1:1 binding mode of metal ions (Ni2+ and Cd2+) with 2pdab, while a binding constant of 26.88 ×106 L/mol and 4.29×106 L/mol, for Ni2+ and Cd2+, respectively, was determined. The limit of detection of 2pdab in sensing Ni2+ and Cd2+ was observed to be 3.08 μM and 1.4688 μM, respectively. The selectivity of 2pdab to detect Cd2+ and Ni2+ among various other competitive ions was also studied. The sensor, 2pdab, was applied in real time application for detection of nickel ion in river water sample.
Novel Coumarin‐Quinoline Hybrids: Design of Multitarget Compounds for Alzheimer's Disease
Authors: Duarte Yorley , Fonseca André , Gutiérrez Margarita , Adasme‐Carreño Francisco , Muñoz‐Gutierrez Camila , Alzate‐Morales Jans , Santana Lourdes , Uriarte Eugenio , Álvarez Rocío , Matos Maria João
Published: January 2019

Alzheimer's disease (AD) is the most prevalent neurodegenerative disease, presenting the most devastating consequences on human health and life quality. Coumarin‐quinoline hybrids were synthesized following a very efficient and versatile strategy. Small structural variations contributed to dual acetyl/butyrylcholinesterases (AChE/BuChE) activity or selectivity towards one of these enzymes. In addition, some of the studied compounds are interesting iron chelators, presenting a tendency to be neuroprotective. Moreover, the compounds are not cytotoxic for SH‐SY5Y neuroblastoma cells. Compound 9c proved to be the most interesting compound of the studied series. This compound is selective against AChE and proved to be an excellent iron chelating agent (iron chelation at 100 μM=72.87%). Molecular docking studies were performed to establish the nature of the interaction between the studied compounds and the binding pockets, leading to a rationalization of structure–activity relationships. Compound 9c forms a well‐defined π‐stacking interaction with Phe330 and interacts with Tyr121 residue via a hydrogen bond, while the inactive compounds cannot establish these interactions. Important preliminary results against different targets, as well as some structure–activity relationships, were concluded from the experimental results.
Copper/Cuprous Oxide Nanoparticles Decorated Reduced Graphene Oxide Sheets Based Platform for Bio‐Electrochemical Sensing of Dopamine
Authors: Devnani Harsha , Rashid Nusrat , Ingole Pravin P.
Published: January 2019

A rudimentary simple sonochemical approach has been employed for the synthesis of copper/cuprous oxide nanoparticles (Cu/Cu2O NPs) decorated graphene oxide (GO) sheets. Simply, an aqueous dispersion of GO was sonochemically treated with Cu/Cu2O NPs as obtained through a simple electrochemical dissolution method to get the Cu/Cu2O/rGO nanocomposite. The decoration of Cu/Cu2O NPs on GO sheets resulted in the excellent sensing activity of Cu/Cu2O/rGO nanocomposite towards dopamine in the pharmaceutical formulation at the electrode interface due to enhanced electron mobility in GO sheet and high catalytic activity of Cu/Cu2O NPs. The comparison has been laid out based on various characterization techniques viz. powder X‐ray diffraction (PXRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transform infra‐red (FTIR) spectroscopy and Raman spectroscopy. The fabricated sensor depicted high sensitivity of 0.806 μA/μM for dopamine in a broad linear range of 0.25 –17 μM. Moreover, the remarkable detection limit of 2.6 nM was found for dopamine, and the developed sensor exhibited a wide separation ca. 140 mV between the respective detection peaks of dopamine and uric acid, which is a major interferent in the analysis of dopamine.
A Practical Copper Catalyzed N‐Arylation of Amines Using Aryl Triazenes as Aryl Source
Authors: Chand Shiv , Kumar Saurabh , Singh Rahul , Singh Krishna Nand
Published: January 2019

An efficient copper‐catalyzed synthesis of N‐arylated amines has been developed via cross‐coupling of amines with aryl triazenes. The methodology is endowed with broad substrate scope, high yield, and significant functional group tolerance.
Simple and Efficient Synthesis of Anithiactins A‐C, Thiasporine A and Their Potent Antitumor 2,4‐Linked Oligothiazole Derivatives
Authors: Liu Yi , Ma Zhanwei , Zhao Xiangyun , Shan Qiuli , He Peng , Du Yuguo , Wang Yibin
Published: January 2019

Directly 2,4‐linked oligothiazoles are not only broadly applied in drug discovery but also are the core structural motif of many biological natural products. With this background, we reported a simple and efficient route for the synthesis of four 2‐phenylthiazole natural products anithiactins A−C, thiasporine A, and series of their novel 2,4‐linked oligothiazole derivatives relies on the one‐pot cascade reaction of β‐azido disulfides and commercially carboxyl acids. This approach also represented a remarkably direct and simple route for 2,4‐linked oligothiazoles synthesis. By doing so, ten bisthiazoles and terthiazoles were effectively obtained in only 3∼6 linear steps with good to moderate yields. The bioassay results demonstrated that all the phenyl‐based oligothiazoles show potent antitumor activities. Among them, terthiazole 28 was the most potent compound with IC50 values of 4.4 μM, 4.8 μM against HCT116 and A549 cell lines, respectively.
Unique 1D Cd1−xZnxS@O‐MoS2/NiOx Nanohybrids: Highly Efficient Visible‐Light‐Driven Photocatalytic Hydrogen Evolution via Integrated Structural Regulation
Authors: Lin Haifeng , Sun Bowen , Wang Hui , Ruan Qinqin , Geng Yanling , Li Yanyan , Wu Jiakun , Wang Wenjing , Liu Jie , Wang Xun
Published: January 2019

Development of noble‐metal‐free photocatalysts for highly efficient sunlight‐driven water splitting is of great interest. Nevertheless, for the photocatalytic H2 evolution reaction (HER), the integrated regulation study on morphology, electronic band structures, and surface active sites of catalyst is still minimal up to now. Herein, well‐defined 1D Cd1−xZnxS@O‐MoS2/NiOx hybrid nanostructures with enhanced activity and stability for photocatalytic HER are prepared. Interestingly, the band alignments, exposure of active sites, and interfacial charge separation of Cd1−xZnxS@O‐MoS2/NiOx are optimized by tuning the Zn‐doping content as well as the growth of defect‐rich O‐MoS2 layer and NiOx nanoparticles, which endow the hybrids with excellent HER performances. Specifically, the visible‐light‐driven (>420 nm) HER activity of Cd1−xZnxS@O‐MoS2/NiOx with 15% Zn‐doping and 0.2 wt% O‐MoS2 (CZ0.15S‐0.2M‐NiOx) in lactic acid solution (66.08 mmol h−1 g−1) is about 25 times that of Pt loaded CZ0.15S, which is further increased to 223.17 mmol h−1 g−1 when using Na2S/Na2SO3 as the sacrificial agent. Meanwhile, in Na2S/Na2SO3 solution, the CZ0.15S‐0.2M‐NiOx sample demonstrates an apparent quantum yield of 64.1% at 420 nm and a good stability for HER under long‐time illumination. The results presented in this work can be valuable inspirations for the exploitation of advanced materials for energy‐related applications.
A General Method to Ultrathin Bimetal‐MOF Nanosheets Arrays via In Situ Transformation of Layered Double Hydroxides Arrays
Authors: Wang Bingqing , Shang Jing , Guo Chong , Zhang Jianze , Zhu Fengnian , Han Aijuan , Liu Junfeng
Published: January 2019

Structure engineering of ultrathin metal–organic framework (MOF) nanosheets to self‐supporting and well‐aligned MOF superstructures is highly desired for diverse applications, especially important for electrocatalysis. In this work, a facile layered double hydroxides in situ transformation strategy is developed to synthesize ultrathin bimetal‐MOF nanosheets (BMNSs) arrays on conductive substrates. This approach is versatile, and applicable to obtain various BMNSs or even trimetal‐MOF nanosheets arrays on different substrates. As a proof of concept application, the obtained ultrathin NiCo‐BDC BMNSs array exhibits an excellent catalytic activity toward the oxygen evolution reaction with an overpotential of only 230 mV to reach a current density of 10 mA cm−2 in 1 m KOH. The present work demonstrates a strategy to prepare ultrathin bimetal‐MOF nanosheets arrays, which might open an avenue for various promising applications of MOF materials.
The Positive Function of Incorporation of Small Molecules into Perovskite Materials for High‐Efficient Stable Solar Cells
Authors: Azam Muhammad , Liu Kong , Yue Shizhong , Sun Yang , Zhang Dongyang , Hassan Ali , Wang Zhijie , Zhou Huiqiong , Qu Shengchun , Wang Zhanguo
Published: January 2019

The additive engineering to hybrid organic‐inorganic perovskite precursors is an effective technique toward highly efficient stable photovoltaic devices, however, there is still a deficiency in fundamental understanding on how these additives affect the perovskite film and device performance as well. Herein is introduced a small organic molecule, DRCN5T, into a double‐cation perovskite precursor and the function on device performance is systematically investigated. An appropriate amount of DRCN5T into the precursor can promote the crystallization of film with successful suppression of δ‐FAPbI3 phase, reduce grain boundaries and adequately passivate the native defect sites. In addition, the incorporation of DRCN5T also regulates the energy level alignment of the perovskite to charge transport layer suitably. This leads to the promotion of charge transport, reduction in non‐radiative recombination, and boosts the efficiency to a value of 20.60% with greatly reduced hysteresis in the device. Moreover, the treatment by DRCN5T also significantly increases the stability of the devices in ambient environment. These findings open the gate to produce highly crystallized perovskite/organic‐molecule active layers toward commercialization of perovskite solar cells.
Finding the ΔΔG spot: Are predictors of binding affinity changes upon mutations in protein–protein interactions ready for it?
Authors: Geng Cunliang , Xue Li C. , Roel‐Touris Jorge , Bonvin Alexandre M. J. J.
Published: January 2019

Predicting the structure and thermodynamics of protein–protein interactions (PPIs) are key to a proper understanding and modulation of their function. Since experimental methods might not be able to catch up with the fast growth of genomic data, computational alternatives are therefore required. We present here a review dealing with various aspects of predicting binding affinity changes upon mutations (ΔΔG). We focus on predictors that consider three‐dimensional structure information to estimate the impact of mutations on the binding affinity of a protein–protein complex, excluding the rigorous free energy perturbation methods. Training and evaluation, ΔΔG databases, data selection, and existing ΔΔG predictors are specially emphasized. We also establish the parallel with scoring functions used in docking since those share many similar PPI features with ΔΔG predictors. The field has seen a common evolution of ΔΔG predictors and scoring functions over time, transforming from purely energetic functions to statistical energy‐based and further to machine learning‐based functions. As machine learning has come to age, limitations in terms of quantity, quality and variety of the available data become the bottlenecks for the future development of these computational methods. This can be alleviated by building infrastructures for data generation, collection and sharing. Further developments can be catalyzed by conducting community‐wide blind challenges for method assessment.

This article is categorized under:

Structure and Mechanism > Molecular Structures

Structure and Mechanism > Computational Biochemistry and Biophysics

Molecular and Statistical Mechanics > Molecular Interactions
André Goffeau's imprinting on second generation yeast “genomologists”
Authors: Fairhead Cécile , Fischer Gilles , Liti Gianni , Neuvéglise Cécile , Schacherer Joseph
Published: January 2019

All authors of the present paper have worked in labs that participated to the sequencing effort of the Saccharomyces cerevisiae reference genome, and we owe to this the fact that we have all chosen to work on genomics of yeasts. S. cerevisiae has been a popular model species for genetics since the 20th century as well as being a model for general eukaryotic cellular processes. Although it has also been used empirically in fermentation for millennia, there was until recently, a lack of knowledge about the natural and evolutionary history of this yeast. The achievement of the international effort to sequence its genome was the foundation for understanding many eukaryotic biological processes but also represented the first step towards the study of the genome and ecological diversity of yeast populations worldwide. We will describe recent advances in yeast comparative and population genomics that find their origins in the S. cerevisiae genome project initiated and pursued by André Goffeau.