bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Fast and the Capacious: A [Ni(Salen)]‐TEMPO Redox‐Conducting Polymer for Organic Batteries
Authors: Vereshchagin Anatoliy A. , Lukyanov Daniil A. , Kulikov Ilia R. , Panjwani Naitik A. , Alekseeva Elena A. , Behrends Jan , Levin Oleg V. 
Published: November 2020

AbstractRedox‐active nitroxyl‐containing polymers are promising candidates as possible replacements for inorganic based energy‐storage materials, due to their high energy density and fast redox kinetics. One challenge towards the implementation of such a system is the insufficient electrical conductivity, impeding the charge collection even with highly conductive additives. Herein, the first implementation of a polymeric bis(salicylideniminato) nickel (NiSalen) conductive backbone as an active charge‐collecting wire is reported. NiSalen simultaneously serves as a charge collector for nitroxyl pendants and supports the redox capacity of the material. This novel polymer exhibits a specific capacity of up to 91.5 mAh g−1, retaining 87 % of its theoretical capacity at 800 C and more than 30 % at as high as 3000 C (66 % capacity retention after 2000 cycles). The properties of the new material upon operation was studied by means of operando electrochemical methods, UV‐Vis, and electron paramagnetic resonance spectroscopy.
Associations between genetic variants of KIF5B, FMN1, and MGAT3 in the cadherin pathway and pancreatic cancer risk
Authors: Zhao Lingling , Liu Hongliang , Luo Sheng , Moorman Patricia G. , Walsh Kyle M. , Li Wei , Wei Qingyi 
Published: November 2020

AbstractBecause the cadherin‐mediated signaling pathway promotes cancer progression, we assessed associations between genetic variants in 109 cadherin‐related genes and risk of pancreatic cancer (PanC) by using genotyping data from publically available genome‐wide association studies (GWAS) datasets comprising 15,423 individuals of European ancestry. After initial single‐locus analyses and subsequent meta‐analysis with multiple testing correction for 29,963 single‐nucleotide polymorphisms (SNPs), 11 SNPs remained statistically significant (p < 0.05). In the stepwise logistic regression analysis, three independent PanC risk‐associated SNPs (KIF5B rs211304 C > G, FMN1 rs117648907 C > T, and MGAT3 rs34943118 T > C) remained statistically significant (p < 0.05), with odds ratios of 0.89 (95% confidence interval = 0.82–0.95 and p = 6.93 × 10−4), 1.33 (1.13–1.56 and 2.11 × 10−4), and 1.11 (1.05–1.17 and 8.10 × 10−5), respectively. Combined analysis of unfavorable genotypes of these three independent SNPs showed an upward trend in the genotype‐risk association (ptrend < 0.001). Expression quantitative trait loci analyses indicated that the rs211304 G and rs34943118 C alleles were associated with increased mRNA expression levels of KIF5B and MGAT3, respectively (all p < 0.05). Additional bioinformatics prediction suggested that these three SNPs may affect enhancer histone marks that likely have an epigenetic effect on the genes. Our findings provide biological clues for these PanC risk‐associated SNPs in cadherin‐related genes in European ancestry populations, possibly by regulating the expression of the affected genes. However, our findings need to be validated in additional population, molecular and mechanistic investigations.
Economic performance tracking for nonsquare MPCs based on a two‐layer approach
Authors: Santos José Eduardo W. , Farenzena Marcelo , Trierweiler Jorge O. 
Published: November 2020

AbstractRange tracking for nonsquare systems is frequently adopted in process industries and its implementation is developed by model predictive control technologies. However, these approaches differ from those most considered in academia, with set‐point tracking and the same number of controlled and manipulated variables. In this scope, real‐time optimization (RTO) emerges as a diffused technology to improve the economic performance considering process, safety, and environmental constraints. In this work, a way to integrate economic aspects in industrial model predictive controllers (MPCs) by treating the nonlinear economic function as an output of the process model is proposed. The tracking error of the cost function is monitored, and its real value is estimated by a state estimator. The approach was applied to a nonsquare range system, exemplifying a continuous stirred‐tank reactor (CSTR) with Van de Vusse kinetics, and showed that it is capable of tracking the minimum cost operation robustly. The paper also compares the proposed strategy to the traditional RTO implementation, which provides optimized targets, and presents slight improvement in the steady‐state operation regarding the optimal cost seeking.
Atomistic Insights into Oxidation of Chemical Passivated Silicon (100) Surface: Reactive Molecular Dynamic Simulations
Authors: Yuan Shideng , Wang Xueyu , Zhang Heng , Yuan Shiling 
Published: November 2020

Main observation and conclusionIn this paper, a series of ReaxFF molecular dynamic simulations were performed to study the oxidation of chemical passivated silicon (100) surface, which was terminated with differentn‐alkyl chains. The simulated results showed that the oxidant species diffuse into Si substrate through peroxy‐like structures during the oxidation process. During the oxidation process, the Si‐alkyl (Si—C) covalent bond was stable and there is no occurrence of decomposition of then‐alkyl chains. In addition, the existence ofn‐alkyl monolayers on silicon surface did not change the initial reaction pathway of the oxidation process. The simulations indicated that the chemical passivation mechanism includes two parts, one is about the Si—C covalent bond occupying the active site of the reaction on Si (100) surface, and the other is about the oxygen penetrating Si‐alkyl layers. The simulations also indicated that the chemical passivation of Si‐alkyl is better for longer alkyl chains, which is consistent with the experimental observation. Our results have investigated the oxidation of chemical passivated silicon (100) surface at the atom level, which is helpful to comprehend the manufacture of semiconductor devices like metal‐oxide‐semiconductor (MOS) devices in the experiments.
Chemical Gardens as Electrochemical Systems: In Situ Characterization of Simulated Prebiotic Hydrothermal Vents by Impedance Spectroscopy
Authors: Chin Keith , Pasalic Jasmina , Hermis Ninos , Barge Laura M. 
Published: November 2020

AbstractIn an early earth or planetary chimney systems, hydrothermal fluid chemistry and flow durations play a large role in the chimney's ability to drive electrochemical reactions for the origin of life. We performed continuous electrochemical impedance spectroscopy (EIS) characterization on inorganic membranes representing prebiotic hydrothermal chimney vents in natural seafloor systems, by incorporating an electrode array into a chimney growth experiment. Localized potential and capacitances profiles in the chimney reveal a dynamic system where redox processes are driven by transport phenomena, increasing rapidly due to disequilibrium until achieving equilibrium at about 100 mV and 1000 μF/cm2. The impedance in the chimney interior is three orders of magnitude lower (100 Ohms/cm2 vs 100 KOhms/cm2) than at the ocean or the ocean/chimney interface. The calculated peak dissipation factor (DF) values are more than ten times higher (40.0 vs 3.0) and also confirm the elevated chemical reactivity in the chimney interior.
Host neighborhood shapes bacterial community assembly and specialization on tree species across a latitudinal gradient
Authors: Lajoie Geneviève , Kembel Steven W. 
Published: November 2020

AbstractPhyllosphere bacterial diversity is shaped through interactions between hosts and microbes. Most studies having focused on pairwise associations between host taxa and their symbionts, little is yet understood about the influence of the host community as a whole in shaping these interactions. Envisioning phyllosphere bacterial communities as a spatially structured network of communities linked by dispersal (i.e., metacommunities) can help us better understand the relative importance of species sorting among host populations and species versus dispersal from the neighboring host community for bacterial community assembly in forest ecosystems. Here we investigate drivers of metacommunity structure of epiphytic bacteria of the phyllosphere among 33 tree host species distributed across a large‐scale transition from deciduous to boreal forest. We expect the identity and traits of hosts to play an important role in determining phyllosphere bacterial composition. We further hypothesize that bacterial dispersal from neighboring host species will modulate the match between a focal host species and its microbiota, and shape opportunities for host specialization of phyllosphere bacteria at local and regional scales. We defined specialization as the level of phylogenetic similarity among hosts that a bacterial symbiont associates with. We found that host taxonomic identity and traits were important drivers of bacterial community turnover and variation in host specialization across the landscape. Dispersal from neighboring communities further played a role in homogenizing bacterial communities. The microbiota of focal hosts such as sugar maple was thus increasingly similar to that of neighboring host species along the transition from deciduous to boreal forest. Specialization of bacterial taxa on sugar maple was further positively correlated with the relative abundance of this host in the landscape, revealing a role for the host community context in shaping evolutionary relationships between phyllosphere bacteria and their tree hosts. These results overall suggest that the dispersal of phyllosphere bacteria from the dominant tree community members may be constraining the match between tree species and their symbionts, particularly at their range limits. We also demonstrate that considering host‐associated microbial communities as part of metacommunities within the host landscape is a promising tool for improving our understanding of host‐symbiont matching.
Appropriateness rating for the application of optimal medical therapy and multidisciplinary care among heart failure patients
Authors: Shoji Satoshi , Kohsaka Shun , Shiraishi Yasuyuki , Oishi Shogo , Kato Mahoto , Shiota Shigehito , Takada Yasuko , Mizuno Atsushi , Yumino Dai , Yokoyama Hiroyuki , Watanabe Noboru , Isobe Mitsuaki 
Published: November 2020

AbstractAimsClinical guidelines for improving the patients' quality of care vary in clinical practice, particularly in super‐aging societies, like in Japan. We aimed to develop a set of appropriate‐use criteria (AUC) for contemporary heart failure (HF) management to assist physicians in decision making.Methods and resultsWith the use of the RAND methodology, a multidisciplinary writing group developed patient‐based clinical scenarios in 10 selected key topics, stratified mainly by HF stage, age, and renal function. Nine nationally recognized expert panellists independently rated the clinical scenario appropriateness twice on a scale of 1–9, as ‘appropriate’ (7–9), ‘may be appropriate’ (4–6), or ‘rarely appropriate’ (1–3). Decisions were based on clinical evidence and professional opinions in the context of available resource use and costs. An interactive round‐table discussion was held between the first and second ratings; the median score of the nine experts was then assigned to an appropriate‐use category. Most clinical scenarios without strong evidence were evaluated as ‘may be appropriate’. Frailty assessments in elderly patients (age ≥ 75 years), regardless of the HF stage, and advanced care planning in patients with stage C/D HF, regardless of age, were considered ‘appropriate’. For HF with reduced ejection fraction, beta‐blocker administration in elderly patients (age ≥ 75 years) with heart rate < 50 b.p.m. and mineral corticosteroid receptor antagonist use in elderly patients (age ≥ 75 years) with an estimated glomerular filtration rate < 30 mL/min/1.73 m2 were considered ‘rarely appropriate’.ConclusionsThe HF management AUC provide a practical guide for physicians regarding scenarios commonly encountered in daily practice.
Assessing the correlation between fatty acid composition of biodiesel with the fuel property using artificial intelligence and optimization
Authors: Singh Sunita , Lahiri Sandip Kumar , Chakrabarty Jitamanyu 
Published: November 2020

AbstractThis work explores the underlying correlation between fatty acid composition and biodiesel fuel properties using artificial neural network (ANN) and establishes the complex non‐linear relationship between the fuel parameters and the significant fatty acids present in the composition of biodiesel. Six physico‐chemical properties of biodiesel, that is, specific gravity, oAPI, aniline point, cetane number, flash point, and calorific value have been assessed and a modeling framework has been developed. High value of R2 and low value of RMSE signify that ANN model captures the inherent relationship. Results demonstrate that with 1% change in arachidic acid, an increment of 21.74 MJ/Kg in heating value and a decrease of 7.17 in cetane number of biodiesel fuel take place, respectively. This suggests that the presence of a regulated amount of arachidic acid in biodiesel composition would assist in obtaining desired heat value and diesel index of biodiesel that would ultimately aid in improving fuel quality and hence, would help in obtaining higher grade biodiesel fuel. Furthermore, ANN‐based stochastic optimization techniques, genetic algorithm, and particle swarm optimization have been used to predict the maximum possible biodiesel blend that can be used in diesel engines retaining the fuel qualities.
Stable four‐membered cyclosilylenes at theoretical levels
Authors: Ayoubi‐Chianeh Mojgan , Kassaee Mohamad Z. 
Published: November 2020

AbstractWe aim to develop novel four‐membered cyclosilylenes that contain one (1 and 2), two (3), three (4), and four (5) numbers of Si atoms at the M06/6–311 + G*, B3LYP/aug‐cc‐PVTZ, and MP2/3–21G levels of theory. These structures show high stability and turn out as minima on their energy surfaces for showing no imaginary frequency. Structural and thermodynamic parameters, including bond length, divalent bond angle, singlet‐triplet energy gap (ΔES‐T), highest occupied molecular orbital (HOMO)–lowest unoccupied molecular orbital (LUMO) energy gap (ΔEH‐L), proton affinity (PA), complexation energy (ΔECom) with CO molecule, nucleophilicity (N), chemical potential (μ), and natural charges, are assessed. The final order of singlet stability appears in the order 1 > 2 > 3 > 4 > 5 at three levels of theory.
Dose‐ and time‐dependent effects of an immune challenge on fish across biological levels
Authors: Petitjean Quentin , Jacquin Lisa , LeHénaff Michel , Perrault Annie , Cousseau Myriam , Laffaille Pascal , Jean Séverine 
Published: November 2020

AbstractDue to global changes, fish are increasingly exposed to immune challenges associated with disease outbreaks in aquatic ecosystems. Adjustments in physiology and behavior are generally critical to maintaining homeostasis after an immune challenge, but there is limited knowledge on the specific thresholds and dynamics of responses across levels of biological organization in fish. In this study, we tested how different concentrations of an antigens mixture (phytohemagglutinin and lipopolysaccharide) affected innate immunity with potential consequences on oxidative stress, energy reserves, body condition, and behavior across time, using the common gudgeon (Gobio sp.) as model species. The immune challenge induced a transitory increase in lytic enzyme activity (i.e., lysozyme) and local immune response (i.e., skin swelling) 2 days after the antigen injection. The available energy stored in muscle was also reduced 4 days after injection, without inducing oxidative stress at the cellular level. Overall, the immune challenge induced limited costs at the molecular and cellular levels but had strong effects at the whole organism level, especially on behavior. Indeed, fish swimming activity and sociability were affected in a dose‐ and time‐dependent manner. These results suggest that immune challenges have dose‐dependent effects across levels of biological organization and that behavior is a key response trait to cope with pathogen‐induced immune costs in the wild, although fitness consequences remain to be tested.
Doing history that matters: Going public and activating voices as a form of historical activism
Authors: Dyck Erika 
Published: November 2020

AbstractFor many of us academics, doing community‐engaged research means coming to terms with the significant gaps in experience, privilege, and power, and overall access to knowledge. We are trained to learn through texts, not through direct experience. In some ways, we are even conditioned to tune out experience, or anecdote, to dilute personal subjectivities in favor of a critical analysis informed by a combination of methods and sources, and a reliance on text‐based forms of evidence. Whereas for most community members, evidence is experiential. This dynamic also underscores the tremendous power and responsibility we have as historians to shape identities and legacies through the stories we tell. In the end, I believe the risks are worth the rewards.
Genetic characterization of the Albanian Gaucher disease patient population
Authors: Cullufi Paskal , Tabaku Mirela , Velmishi Virtut , Gjikopulli Agim , Tomori Sonila , Dervishi Ermira , Tako Aferdita , Leubauer Anika , Westenberger Ana , Cozma Claudia , Beetz Christian , Bauer Peter , Wirth Stefan , Rolfs Arndt 
Published: November 2020

AbstractGaucher disease (GD) is a recessive metabolic disorder caused by a deficiency of the GBA gene‐encoded enzyme β‐glucocerebrosidase. We characterized a cohort of 36 Albanian GD patients, 31 with GD type 1 and 5 affected by GD types 2, 3, and an intermediate GD phenotype between type 2 and type 3. Of the 12 different GBA alleles that we detected, the most frequently observed was p.Asn409Ser, followed by p.[Asp448His;His294Gln]. The prevalence of the p.Leu483Pro allele was approximately 10‐fold lower than reported in other populations. We identified a novel pathogenic missense variant (c.1129G>A; p.Ala377Thr). All five of our non‐type 1 patients had genotypes consisting of the p.[Asp448His;His294Gln] allele in combination with another severe GBA allele. The median Lyso‐Gb1 level of treated patients carrying the p.[Asp448His;His294Gln] and no p.Asn409Ser allele was significantly higher than that of treated individuals homozygous or compound heterozygous for the p.Asn409Ser allele. In conclusion, the most important distinguishing features of the Albanian GD patient population are the underrepresentation of the p.Leu483Pro allele and an unusually high number of p.[Asp448His;His294Gln] alleles originating from a common Balkan founder event. The presence of at least one p.Asn409Ser allele is associated with mild disease and low Lyso‐Gb1 biomarker levels, while compound heterozygosity involving p.[Asp448His;His294Gln] and no p.Asn409Ser entails severe phenotypes and high Lyso‐Gb1 levels.
Otologic dysfunction in patients with COVID‐19: A systematic review
Authors: Maharaj Shivesh , Bello Alvarez Martha , Mungul Sheetal , Hari Kapila 
Published: November 2020

AbstractObjectiveTo describe otologic dysfunction in patients with the novel SARS‐CoV‐2.Review MethodsSearch strategies acquired for each database included keywords. The keywords use were—Otologic OR Vestibular OR Audiologic and COVID‐19 OR Coronavirus OR SARS‐CoV‐2. Resulting articles were imported into a systematic review software and screened for appropriateness.To be eligible for inclusion in the analysis, the studies and case reports should have met the following criteria:
Description of otologic dysfunction in COVID‐19 patients
peer review
Studies were excluded if:
the description of the specific dysfunction was inadequate
there were no original case descriptions
Data that met the inclusion criteria was extracted and analyzed.ResultsA total of 62 articles were identified and screened, seven articles met the inclusion criteria and were analyzed. The articles were mainly case reports (5) with 2 case series. There were 28 patients in total identified with the largest study comprising 20 patients. All patients presented with hearing loss, 27 of whom had audiometry. Three patients had associated vestibular symptoms (vertigo, otalgia, and tinnitus).ConclusionSARS‐CoV‐2 is a probable cause of middle ear infections and sensorineural hearing loss, secondary to spread of the novel virus into the middle ear and related neural structures.
Associations between tissue‐based CD3+ T‐lymphocyte count and colorectal cancer survival in a prospective cohort of older women
Authors: Oyenuga Mosunmoluwa , Vierkant Robert A. , Lynch Charles F. , Pengo Thomas , Tillmans Lori S. , Cerhan James R. , Church Timothy R. , Lazovich DeAnn , Anderson Kristin E. , Limburg Paul J. , Prizment Anna E. 
Published: November 2020

AbstractTumor‐infiltrating lymphocytes in colorectal cancer (CRC) predict better survival. However, associations between T‐lymphocyte count in histologically normal tissues from patients with CRC and survival remain uncertain. We examined associations of CD3+ T‐cells in colorectal tumor and histologically normal tissues with CRC‐specific and all‐cause mortality in the prospective Iowa Women's Health Study. Tissue microarrays were constructed using paraffin‐embedded colorectal tissue samples from 464 women with tumor tissues and 314 women with histologically normal tissues (55–69 years at baseline) diagnosed with incident CRC from 1986 to 2002 and followed through 2014 (median follow‐up 20.5 years). Three tumor and two histologically normal tissue cores for each patient were immunostained using CD3+ antibody and quantified, and the counts were averaged across the cores in each tissue. Cox proportional hazards regression estimated hazard ratios (HR) and 95% confidence interval (CI) for CRC‐specific and all‐cause mortality. After adjustment for age at diagnosis, body mass index, smoking status, tumor grade, and stage, HRs (95% CI) for the highest versus lowest tertile of tumor CD3+ score were 0.59 (0.38–0.89) for CRC‐specific mortality and 0.82 (0.63–1.05) for all‐cause mortality; for histologically normal CD3+ score, the corresponding HRs (95% CI) were 0.47 (0.19–1.17) and 0.50 (0.27–0.90), respectively. The CD3+ score combining the tumor and histologically normal scores was inversely associated with CRC‐specific and all‐cause mortality. Although the association between tumor CD3+ score and all‐cause mortality was not significant, both higher CD3+ T‐lymphocyte counts in tumor and histologically normal scores tended to be associated with lower CRC‐specific and all‐cause mortality.