bluuebunny/crossref_metadata_2025_split huggingface dataset:
Unraveling MoS2 and Transition Metal Dichalcogenides as Functional Zinc‐Ion Battery Cathode: A Perspective
Authors: Lee Wee Siang Vincent , Xiong Ting , Wang Xiaopeng , Xue Junmin 
Published: November 2020

AbstractThe zinc‐ion battery (ZIB) is considered as one of the most important alternative battery chemistries to date. However, one of the challenges in ZIB development is the limited selection of materials that can exhibit satisfactory Zn2+ storage. Transition metal dichalcogenides (TMDs) are widely investigated in energy‐related applications due to their distinct physical and chemical properties. In particular, the wide interlayer spacings for these TMDs are particularly attractive as viable Zn2+ storage sites. Despite the suitability of TMDs in ZIB application, they are still not widely explored due to their limited report in this area. In this perspective review, the key challenge of TMDs, especially for MoS2, in their utilization as ZIB cathode are discussed. The various reports on MoS2 and TMDs as ZIB cathodes are also summarized. In order to elicit reasonable Zn2+ storage ability in MoS2 and TMDs, four key modification strategies are proposed: 1) interlayer engineering, 2) defect engineering, 3) hybridization, and 4) phase engineering. These proposed modification strategies may be able to address the challenge of inadequate Zn2+ storage in MoS2 and TMDs. Finally, this review ends with a conclusion and outlook of MoS2 and TMDs in the future development of ZIB cathodes.
MyNeutronDAQ: A general program for data acquisition of neutron scattering spectrometers at China Mianyang Research Reactor and on‐line data‐analysis
Authors: Wang Tingting , Pang Beibei , Li Xinxi , Wang Yan , Huang Chaoqiang , Gong Jian , Sun Guangai , Liu Dong 
Published: November 2020

AbstractMyNeutronDAQ, a graphical user interface (GUI) program for data acquisition of neutron scattering spectrometers at China Mianyang Research Reactor (CMRR) and on‐line data‐analysis has been developed. The program is written in Microsoft Visual C++, which runs under Windows operating systems. Based on the characters of the hardware connection and time‐to‐digital converter (TDC) systems of the spectrometers (taking the time‐of‐flight and polarized neutron reflectometer [TPNR] Diting as the example), a valid event identification and screening protocol is embedded into the program. Moreover, the program design and key features of MyNeutronDAQ such as visualization interface, optional output data format, batch mode, and functions of user‐friendly on‐line analysis, are presented. Taking the program specifically for small‐angle neutron scattering (SANS) Suanni as the example, specific applications of the MyNeutronDAQ are further presented.
Genomic prediction and genomic heritability of grain yield and its related traits in a safflower genebank collection
Authors: Zhao Huanhuan , Li Yongjun , Petkowski Joanna , Kant Surya , Hayden Matthew J. , Daetwyler Hans D. 
Published: November 2020

AbstractSafflower, a minor oilseed crop, is gaining increased attention for food and industrial uses. Safflower genebank collections are an important genetic resource for crop enhancement and future breeding programs. In this study, we investigated the population structure of a safflower collection sourced from the Australian Grain Genebank and assessed the potential of genomic prediction (GP) to evaluate grain yield and related traits using single and multi‐site models. Prediction accuracies (PA) of genomic best linear unbiased prediction (GBLUP) from single site models ranged from 0.21 to 0.86 for all traits examined and were consistent with estimated genomic heritability (h2), which varied from low to moderate across traits. We generally observed a low level of genome × environment interactions (g × E). Multi‐site g × E GBLUP models only improved PA for accessions with at least some phenotypes in the training set. We observed that relaxing quality filtering parameters for genotype‐by‐sequencing (GBS), such as missing genotype call rate, did not affect PA but upwardly biased h2 estimation. Our results indicate that GP is feasible in safflower evaluation and is potentially a cost‐effective tool to facilitate fast introgression of desired safflower trait variation from genebank germplasm into breeding lines.
A modeling informed quantitative approach to salvage clinical trials interrupted due to COVID‐19
Authors: Geerts Hugo , van der Graaf Piet 
Published: November 2020

AbstractMany ongoing Alzheimer's disease central nervous system clinical trials are being disrupted and halted due to the COVID‐19 pandemic. They are often of a long duration’ are very complex; and involve many stakeholders, not only the scientists and regulators but also the patients and their family members. It is mandatory for us as a community to explore all possibilities to avoid losing all the knowledge we have gained from these ongoing trials. Some of these trials will need to completely restart, but a substantial number can restart after a hiatus with the proper protocol amendments. To salvage the information gathered so far, we need out‐of‐the‐box thinking for addressing these missingness problems and to combine information from the completers with those subjects undergoing complex protocols deviations and amendments after restart in a rational, scientific way. Physiology‐based pharmacokinetic (PBPK) modeling has been a cornerstone of model‐informed drug development with regard to drug exposure at the site of action, taking into account individual patient characteristics. Quantitative systems pharmacology (QSP), based on biology‐informed and mechanistic modeling of the interaction between a drug and neuronal circuits, is an emerging technology to simulate the pharmacodynamic effects of a drug in combination with patient‐specific comedications, genotypes, and disease states on functional clinical scales. We propose to combine these two approaches into the concept of computer modeling‐based virtual twin patients as a possible solution to harmonize the readouts from these complex clinical datasets in a biologically and therapeutically relevant way.
Changes in physical and mental health of Black, Hispanic, and White caregivers and non‐caregivers associated with onset of spousal dementia
Authors: Chen Cynthia , Thunell Johanna , Zissimopoulos Julie 
Published: November 2020

AbstractIntroductionWe aim to determine whether racial/ethnic health disparities are a consequence of caregiving for persons with dementia and/or health status before becoming a caregiver.MethodsLongitudinal data from the Health and Retirement Study (1998–2012) on 7859 Black, Hispanic, and White couples were analyzed for changes in physical and mental health with incident dementia of a spouse.ResultsBlacks and Hispanics, but not Whites, had poorer health before becoming caregivers for a spouse with dementia, than those who did not become caregivers. Spouse's dementia onset was associated with caregiver's higher odds of depressive disorder, with no racial/ethnic variation. Racial disparities in caregiver's health were attributed to health differences before caregiving, not differential health changes due to caregiving.DiscussionOlder Blacks and Hispanics with poor health are at increased risk of caregiving for a spouse with dementia. Protecting the health of persons supporting spouses with dementia requires understanding socioeconomic and cultural factors driving care provision.
Modeling near‐surface water redistribution in a desert soil
Authors: Luo Yuan , Ghezzehei Teamrat A. , Yu Zhongbo , Berli Markus 
Published: November 2020

AbstractDespite the vast extent of desert soils on the earth's surface, our understanding of the moisture dynamics of near‐surface desert soils (i.e., the top centimeters to few meters of the soil profile) remain limited. The goal of this study was to explore the use of the Peters–Durner–Iden (or PDI) instead of bimodal van Genuchten (or BVG) hydraulic functions to improve water redistribution simulations using HYDRUS‐1D for drier soils in desert environments. The PDI hydraulic functions take capillary and film flow into account, whereas BVG hydraulic functions are limited to capillary flow. By comparing measured with simulated water content data, we found that moisture redistribution simulations were improved by using PDI instead of BVG soil water retention and hydraulic conductivity functions. Compared with the BVG simulations, the PDI simulations particularly improved for drier soil conditions (i.e., volumetric water contents ranging from 6 to 10%; suction heads between pF 2 and pF 3.8, and saturation degrees between 19 and 32%, respectively) for the studied sandy soil of Scaling Environmental Processes in Heterogeneous Arid Soils (SEPHAS) Lysimeter 1. For pF >3, the PDI functions predicted higher hydraulic conductivity than the BVG functions, which confirmed the hypothesis that a hydraulic conductivity function, which can capture film flow, may improve moisture distribution simulations for dry soils. For pF between 2 and 3, however, simulation results improved due to the difference in the water retention rather than the hydraulic conductivity function.
Recent progress in layered double hydroxides as a cancer theranostic nanoplatform
Authors: Choi Goeun , Choy Jin‐Ho 
Published: November 2020

AbstractLayered double hydroxide (LDH) has been a big challenge in exploring new hybrid materials by intercalating inorganic, organic, or bio molecules into their lamellar lattice, those which often showed dual functions from each other or new mutative properties. Recently, nano‐bio convergence technology becomes one of the most extensively studied research fields in the view point of developing advanced drugs and diagnostic agents to fight against disease and eventually to improve the lives of human beings. Therefore, LDH as one of the nanomaterials have been intensively investigated not only as biocompatible drug delivery vehicle for cancer chemotherapy but also as diagnostic and imaging agents. In the present review, we have attempted to summarize theranostic functions of drug‐LDH hybrid nanoparticles including their synthetic methods, physico‐chemical and biological properties, and their unique mechanism overcoming drug resistance, and targeting properties based on in vitro and finally in vivo results.This article is categorized under:
Diagnostic Tools > Diagnostic Nanodevices
Diagnostic Tools > in vivo Nanodiagnostics and Imaging
Modulation of antioxidant defence system in response to berberine in Candida albicans
Authors: Poopedi Evida , Marimani Musa , AlOmar Suliman Yousef , Aldahmash Badr , Ahmad Aijaz 
Published: November 2020

AbstractEmergence of multidrug resistant species of Candida is evolving, which advocates an urgent need for the development of new therapeutic strategies and antifungal drugs. Activation of antioxidant defence system in Candida albicans is known as forefront mechanism to escape drug toxicity. This study evaluated the role of antioxidant defence genes in the susceptibility to fluconazole in C. albicans and also determined the effect of berberine on growth, antioxidant enzymes and the expression of their genes in C. albicans isolates. Expression of major antioxidant genes was significantly increased in fluconazole‐resistant isolates in comparison with the susceptible group. Antifungal susceptibility against berberine showed MIC values ranging from 125 to 500 μg/ml. Berberine treatment caused upregulation of mRNA expression and enzymatic activities of the targeted major antioxidants. Interestingly, C. albicans exhibited efficient antioxidant response at lower concentrations but could not sufficiently alleviate berberine‐induced oxidative stress occurring at concentrations greater than 250 μg/ml. Therefore, berberine could serve as a potent Reactive Oxygen Species (ROS)‐inducing agent, disrupting the antioxidant system especially in fluconazole‐resistant C. albicans to overcome antifungal drug resistance.Take Aways

Evaluated the role of antioxidant enzymes in FLC resistance in C. albicans
Studied the effect of berberine on growth of different C. albicans isolates
Investigated the modulation of antioxidant enzymes by berberine in C. albicans
Studied the effect of berberine on antioxidant gene expression in C. albicans
Giant GAL gene clusters for the melibiose‐galactose pathway in Torulaspora
Authors: Venkatesh Anjan , Murray Anthony L. , Coughlan Aisling Y. , Wolfe Kenneth H. 
Published: November 2020

AbstractIn many yeast species, the three genes at the centre of the galactose catabolism pathway, GAL1, GAL10 and GAL7, are neighbours in the genome and form a metabolic gene cluster. We report here that some yeast strains in the genus Torulaspora have much larger GAL clusters that include genes for melibiase (MEL1), galactose permease (GAL2), glucose transporter (HGT1), phosphoglucomutase (PGM1) and the transcription factor GAL4, in addition to GAL1, GAL10, and GAL7. Together, these eight genes encode almost all the steps in the pathway for catabolism of extracellular melibiose (a disaccharide of galactose and glucose). We show that a progenitor 5‐gene cluster containing GAL 7‐1‐10‐4‐2 was likely present in the common ancestor of Torulaspora and Zygotorulaspora. It added PGM1 and MEL1 in the ancestor of most Torulaspora species. It underwent further expansion in the T. pretoriensis clade, involving the fusion of three progenitor clusters in tandem and the gain of HGT1. These giant GAL clusters are highly polymorphic in structure, and subject to horizontal transfers, pseudogenization and gene losses. We identify recent horizontal transfers of complete GAL clusters from T. franciscae into one strain of T. delbrueckii, and from a relative of T. maleeae into one strain of T. globosa. The variability and dynamic evolution of GAL clusters in Torulaspora indicates that there is strong natural selection on the GAL pathway in this genus.
An Extension of Raşa’s Conjecture to q-Monotone Functions
Authors: Abel Ulrich , Leviatan Dany 
Published: November 2020

AbstractWe extend an inequality involving the Bernstein basis polynomials and convex functions on [0, 1]. The inequality was originally conjectured by Raşa about thirty years ago, but was proved only recently. Our extension provides an inequality involving q-monotone functions, $$q\in \mathbb N$$

q
∈
N

. In particular, 1-monotone functions are nondecreasing functions, and 2-monotone functions are convex functions. In general, q-monotone functions on [0, 1], for $$q\ge 2$$

q
≥
2

, possess a $$(q-2)$$

(
q
-
2
)

nd derivative in (0, 1), which is convex there. We also discuss some other linear positive approximation processes.
Exploring extra dimensions to capture saliva metabolite fingerprints from metabolically healthy and unhealthy obese patients by comprehensive two-dimensional gas chromatography featuring Tandem Ionization mass spectrometry
Authors: Cialiè Rosso Marta , Stilo Federico , Squara Simone , Liberto Erica , Mai Stefania , Mele Chiara , Marzullo Paolo , Aimaretti Gianluca , Reichenbach Stephen E. , Collino Massimo , Bicchi Carlo , Cordero Chiara 
Published: November 2020

AbstractThis study examines the information potential of comprehensive two-dimensional gas chromatography combined with time-of-flight mass spectrometry (GC×GC-TOF MS) and variable ionization energy (i.e., Tandem Ionization™) to study changes in saliva metabolic signatures from a small group of obese individuals. The study presents a proof of concept for an effective exploitation of the complementary nature of tandem ionization data. Samples are taken from two sub-populations of severely obese (BMI > 40 kg/m2) patients, named metabolically healthy obese (MHO) and metabolically unhealthy obese (MUO). Untargeted fingerprinting, based on pattern recognition by template matching, is applied on single data streams and on fused data, obtained by combining raw signals from the two ionization energies (12 and 70 eV). Results indicate that at lower energy (i.e., 12 eV), the total signal intensity is one order of magnitude lower compared to the reference signal at 70 eV, but the ranges of variations for 2D peak responses is larger, extending the dynamic range. Fused data combine benefits from 70 eV and 12 eV resulting in more comprehensive coverage by sample fingerprints. Multivariate statistics, principal component analysis (PCA), and partial least squares discriminant analysis (PLS-DA) show quite good patient clustering, with total explained variance by the first two principal components (PCs) that increases from 54% at 70 eV to 59% at 12 eV and up to 71% for fused data. With PLS-DA, discriminant components are highlighted and putatively identified by comparing retention data and 70 eV spectral signatures. Within the most informative analytes, lactose is present in higher relative amount in saliva from MHO patients, whereas N-acetyl-D-glucosamine, urea, glucuronic acid γ-lactone, 2-deoxyribose, N-acetylneuraminic acid methyl ester, and 5-aminovaleric acid are more abundant in MUO patients. Visual feature fingerprinting is combined with pattern recognition algorithms to highlight metabolite variations between composite per-class images obtained by combining raw data from individuals belonging to different classes, i.e., MUO vs. MHO.Graphical abstract
Negotiating weights for burden sharing rules in international climate negotiations: an empirical analysis
Authors: Kesternich Martin , Löschel Andreas , Ziegler Andreas 
Published: November 2020

AbstractWe have collected data from a world-wide survey among COP delegates to empirically investigate preferences for certain burden sharing rules among key groups in a setting that reflects the possibility of observing concessions from negotiating partners. In our survey, the participants had the opportunity to select and combine up to eight (pre-defined) burden sharing rules and to assign relative weights to the selected rules in their preferred bundle. We examine whether such a mechanism helps to overcome the currently strictly (self-interested) strategic claims on equity in the negotiation process. We observe that delegates from different groups of countries show a general willingness for concessions. However, the degree to which different burden sharing rules are taken into consideration partly differs between countries. As a key insight we report that the individual assessment of the polluter-pays rule based on current emissions does not only stress the persistence of the traditional Annex-B/Non-Annex-B division but also suggests tendencies for a more fragmented grouping with different positions between, for example, delegates from developing countries (i.e. G77 members) and emerging countries (i.e. BASIC). At the same time, we observe tendencies for a more harmonized view among key groups towards the ability-to-pay rule in a setting of weighted burden sharing rules.
Robotic surgery for thoracic surgery
Authors: Sandhaus Tim , Durand Marion , Möller Thorben , Egberts Jan‑Hendrik , Steinert Matthias 
Published: November 2020

SummaryIndications for the use of RATS vary between the facilities but correspond as far as possible to other minimally invasive surgical findings. In general, RATS is currently a therapeutic option for the management of early-stage NSCLC without mediastinal lymph node involvement in oncological surgery, although depending on the planned intervention and the surgical facility, hilar lymph node involvement may be accepted
Sensitivity of lung ultrasound for the detection of pneumothorax one day after pulmonary resection—a prospective observational study
Authors: Galetin Thomas , Schieren Mark , Marks Benjamin , Defosse Jerome , Stoelben Erich 
Published: November 2020

Summary
Background
Chest X‑ray (CXR) after thoracic surgery contributes to patient discomfort and costs and is of limited therapeutic value. Lung ultrasound (LU) for pneumothorax may be an alternative to CXR, but diagnostic accuracy data are heterogeneous and biased by insufficient sonographic technique and patient selection. Reported sensitivities range from 0.21 to 1.0. We evaluated the sensitivity of LU on the first day after thoracic surgery under routine conditions.

Methods
We performed a prospective observational study (trial-ID DRKS00014557). Consecutive patients undergoing lung resection received standardized LU in addition to routine CXR on the first postoperative day. Ultrasound examiner and radiologist were blinded to corresponding X‑ray and ultrasound findings. CXR was used as reference to determine diagnostic test performance of ultrasound. The conformity of sonography- and routine-based therapeutic decisions was evaluated.

Results
A total of 68 patients were examined. The mean duration of ultrasound was 145 ± 64 s. CXR identified 23 patients with pneumothorax with a mean apex-to-cupola size of 1.5 ± 1.0 cm. Ultrasound detected 18 patients with pneumothorax. The computed sensitivity of LU was 0.48 (95% confidence interval [0.36; 0.60]). Specificity was between 0.81 and 1.0, the negative predictive value 0.76 [0.66; 0.86]. The sensitivity of CXR was 0.56 [0.44; 0.68]. Air leakage via chest tube correlated weakly with CXR (spearman’s rho = 0.26) and moderately with LU (rho = 0.43). The conformity between sonographically based recommendations and the actual therapy based on routine diagnostics was 96%.

Conclusions
Sensitivity of ultrasound for pneumothorax detection nearly reached CXR and resulted in equally safe patient management. Our data can serve as a pilot study for upcoming larger-scaled controlled trials.
Analysis of Latin American Fertility in Terms of Probable Social Classes
Authors: Castro Torres Andrés Felipe 
Published: November 2020

AbstractTheories of demographic change have not paid enough attention to how factors associated with fertility decline play different roles across social classes that are defined multidimensionally. I use a multidimensional definition of social class along with information on the reproductive histories of women born between 1920 and 1965 in six Latin American countries to show the following: the enduring connection between social stratification and fertility differentials, the concomitance of diverse fertility decline trajectories by class, and the role of within- and between-class social distances in promoting/preventing ideational change towards the acceptance of lower fertility. These results enable me to revisit the scope of theories of fertility change and to provide an explanatory narrative centred on empirically constructed social classes (probable social classes) and the macro- and micro-level conditions that influenced their life courses. I use 21 census samples collected between 1970 and 2005 in Bolivia, Brazil, Chile, Colombia, Mexico, and Paraguay.