bluuebunny/crossref_metadata_2025_split huggingface dataset:
On the NS-DSSB unidirectional estimates in the SAMPL6 SAMPLing challenge
Authors: Procacci Piero , Macchiagodena Marina 
Published: October 2021

AbstractIn the context of the recent SAMPL6 SAMPLing challenge (Rizzi et al. 2020 in J Comput Aided Mol Des 34:601–633) aimed at assessing convergence properties and reproducibility of molecular dynamics binding free energy methodologies, we propose a simple explanation of the severe errors observed in the nonequilibrium switch double-system-single-box (NS-DSSB) approach when using unidirectional estimates. At the same time, we suggest a straightforward and minimal modification of the NS-DSSB protocol for obtaining reliable unidirectional estimates for the process where the ligand is decoupled in the bound state and recoupled in the bulk.
Electrospun fibre diameter and its effects on vascular smooth muscle cells
Authors: Reid James Alexander , McDonald Alison , Callanan Anthony 
Published: October 2021

AbstractBypass grafting is a technique used in the treatment of vascular disease, which is currently the leading cause of mortality worldwide. While technology has moved forward over the years, synthetic grafts still show significantly lower rates of patency in small diameter bypass operations compared to the gold standard (autologous vessel grafts). Scaffold morphology plays an important role in vascular smooth muscle cell (VSMC) performance, with studies showing how fibre alignment and surface roughness can modulate phenotypic and genotypic changes. Herein, this study has looked at how the fibre diameter of electrospun polymer scaffolds can affect the performance of seeded VSMCs. Four different scaffolds were electrospun with increasing fibre sizes ranging from 0.75 to 6 µm. Culturing VSMCs on the smallest fibre diameter (0.75 µm) lead to a significant increase in cell viability after 12 days of culture. Furthermore, interesting trends were noted in the expression of two key phenotypic genes associated with mature smooth muscle cell contractility (myocardin and smooth muscle alpha-actin 1), whereby reducing the fibre diameter lead to relative upregulations compared to the larger fibre diameters. These results showed that the smallest (0.75 µm) fibre diameter may be best suited for the culture of VSMCs with the aim of increasing cell proliferation and aiding cell maturity.
Physical Activity Advice for Prevention and Rehabilitation of Low Back Pain- Same or Different? A Study on Device-Measured Physical Activity and Register-Based Sickness Absence
Authors: Gupta Nidhi , Rasmussen Charlotte Lund , Hartvigsen Jan , Mortensen Ole Steen , Clays Els , Bültmann Ute , Holtermann Andreas 
Published: October 2021

AbstractPurpose We lack knowledge on whether the advice of “being physically active” should be the same for prevention and rehabilitation of low back pain (LBP). Sickness absence is a key outcome for LBP prevention and rehabilitation. We investigated the associations between physical activity and long-term sickness absence (LTSA) among employees with and without LBP. Methods Between 2011 and 2013, 925 Danish employees wore a Actigraph GTX3 accelerometer for 1–5 workdays to measure physical activity and reported LBP in past 7 days. Employees were followed for 4 years to determine their first register-based LTSA event (≥ 6 consecutive weeks). Results Among employees with LBP, increasing moderate-to-vigorous-intensity physical activity at work by 20 min and decreasing the remaining behaviors at work (ie., sitting, standing and light-intensity activity) by 20 min was associated with 38% (95% CI 17%; 63%) higher LTSA risk. Increasing light-intensity activity at work by 20 min and decreasing 20 min from the remaining behaviors was associated with 18% (95% CI 4%; 30%) lower risk. During leisure, increasing moderate-to-vigorous-intensity activity by 20 min or standing by 40 min was associated with 26% (95% CI 3%; 43%) lower and 37% (95% CI 0%; 87%) higher risk, respectively. Among employees without LBP, we found no such associations. Conclusions The physical activity advice ought to be different for LBP prevention and rehabilitation to reduce LTSA risk, and specified by domain and activity intensity. At work, employees with LBP should be advised to spend time on light-intensity physical activity and limit their time on moderate-to-vigorous-intensity physical activity. During leisure, employees should spend time on moderate-to-vigorous-intensity physical activity.
Highly stretchable, compressible, adhesive hydrogels with double network
Authors: Guo Cuiping , Zeng Zhiwen , Yu Shan , Zhou Xiaoyan , Liu Qunfeng , Pei Dating , Lu Daohuan , Geng Zhijie 
Published: October 2021

AbstractIn this work, a double network bovine serum albumin-polyacrylamide (BSA-PAM) adhesive hydrogel was fabricated, in which combination of physical interactions including hydrogen bonds and chain entanglements, and chemical covalent photo-crosslinking. The BSA-PAM hydrogel exhibited excellent mechanical and adhesive properties. The composite hydrogel not only demonstrated excellent tensile properties (maximum force elongation 1552%~2037%), but also displayed extremely high fatigue resistance even when subjected to compress strains of up to 85%. More importantly, the BSA-PAM hydrogel showed excellent adhesiveness to various substrates (90 kPa~150 kPa for glass and 9.74 kPa~35.09 kPa for pigskin). This work provided a facile way of fabricating tough, stretchable and adhesive BSA-PAM hydrogels.
Evaluation of a sensitive, reasonable, and fast detection method for 55Fe in steel
Authors: Merchel Silke , Rugel Georg , Lachner Johannes , Wallner Anton , Walther Diana , Ziegenrücker René 
Published: October 2021

AbstractA pilot study to quantify 55Fe in steel from a reactor vessel of a nuclear power plant by accelerator mass spectrometry (AMS) without any chemical sample preparation was validated by liquid scintillation counting (LSC) and AMS after radiochemical separation. AMS reaches an uncertainty < 10% at the 1 kBq gFe−1 level within less than 10 min measuring time. The background was < 3 Bq gFe−1, presently limited by the short measurement time. The new instrumental AMS method for analysing 55Fe from neutron capture production is reasonable and fast compared to other analytical methods.
Silicone pressure-sensitive adhesives with increased thermal resistance
Authors: Antosik Adrian Krzysztof , Mozelewska Karolina , Piątek-Hnat Marta , Czech Zbigniew , Bartkowiak Marcin 
Published: October 2021

AbstractThe purpose of this work was to obtain single-sided tapes with different concentrations of kaolin and to check its impact on the self-adhesive properties of commercial adhesives. The most important self-adhesive properties were examined, such as tack, peel adhesion, shear strength, shrinkage, and thermal resistance. Tapes based on silicone PSAs with kaolin can be used in many branches of industry to bond elements operating at elevated temperatures, i.e., in aeronautics, aerospace including solar cells for satellites and space stations. There are few reports on one-sided adhesive tapes based on silicones with the addition of kaolin. However, taking into account the number of their potential applications, we did self-adhesive tests and explained how kaolin affects them. In addition, the reactivity of the crosslinking compound and silicone adhesive during the crosslinking process and the thermal effects of this process were also examined. In connection with the various applications of the obtained tapes, also the flammability and heat of combustion were tested, in accordance with applicable standards. As a result of the tests, one-sided self-adhesive tapes with new properties (increased temperature resistance, less shrinkage, and increased resistance to flammability) were obtained.
Butterfly biodiversity in the city is driven by the interaction of the urban landscape and species traits: a call for contextualised management
Authors: Pla-Narbona Clàudia , Stefanescu Constantí , Pino Joan , Cabrero-Sañudo Francisco J. , García-Barros Enrique , Munguira Miguel L. , Melero Yolanda 
Published: October 2021

AbstractContextUrbanisation is an environmental filter for many species that leads to community homogenisation, with a few species inhabiting isolated patches (e.g. public and private gardens and parks) embedded within the urban landscape. Promoting biodiversity in urban areas requires understanding which species traits allow species to survive the urban landscape.ObjectivesThe objective of this study was to assess how species traits and landscape factors combine to allow species functional groups to live in the city.MethodsWe used butterfly count data collected by volunteers in 24 gardens of Barcelona city, during 2018 and 2019. Species were clustered in functional groups according to their traits. We applied a multinomial choice model to test for the effect of the landscape on the different functional groups.ResultsThree functional groups became prevalent in the city while a fourth, containing most sedentary specialist species, was filtered out. Although the observed groups had similar species richness, abundances varied depending on urban landscape characteristics. Specialist sedentary specialists and medium mobile species were all favoured by patch connectivity; while the presence of mobile generalist species was only enhanced by habitat quality. Our results indicate that butterfly communities are more diverse in highly connected gardens.ConclusionsOur study highlights the need of contextualised management with actions accounting for the species functional groups, rather than a management focused on general species richness. It demonstrates that urban landscape planning must focus on improving connectivity inside the city in order to diversify the community composition.
The effect of competition on product removal
Authors: Barriola Xabier 
Published: October 2021

AbstractThe relationship between innovation and competition has been vastly studied over the past fifty years. However, one piece of the puzzle that has not been studied in detail is how in certain industries competition has an effect in the number of products that are removed from the market. That is why in this paper, I use scanner data to analyze the effect of competition on product removal. In particular, I track sales in the beer industry across a set of 1107 over a period of four years. Following previous studies, I use the merger between SABMiller and Molson Coors as an unexpected change in the industry to estimate future market concentration. I find that there is a negative relationship between removal and concentration. Therefore, retailers decide to remove products from their shelves in a faster way when the market is more competitive to open the gates for a more dynamic assortment.
The Risk Atlas of Mexico City, Mexico: a tool for decision-making and disaster prevention
Authors: Novelo-Casanova David A. , Suárez Gerardo , Cabral-Cano Enrique , Fernández-Torres Enrique A. , Fuentes-Mariles Oscar A. , Havazli Emre , Jaimes Miguel Á. , López-Espinoza Erika D. , Martin-Del Pozzo Ana Lillian , Morales-Barrera Wendy V. , Morales-Rodríguez Hipólito L. , Nieto-Torres Amiel , Rodríguez-Elizarrarás Sergio R. , Solano-Rojas Darío , Velasco-Herrera Victor M. 
Published: October 2021

AbstractWe present a Risk Atlas of Mexico City based on a Geographical Information System (RA-GIS). We identified the prevalent social risk to the more relevant hazards in Mexico City (CDMX): earthquakes, volcanic eruptions, floods, landslides, forest fires, and land subsidence. A total of 274 shape-file maps were generated in this project. Seismic hazard was estimated for return periods (RP) of 20, 125, 250, and 475 years. Three areas in central and northwestern CDMX were identified along the Younger Chichinautzin Monogenetic Volcanic Field with a high probability of forming a new volcano. Subsidence is concentrated to the east and southeast of CDMX, where subsidence rates are among the highest worldwide. Flooding events were estimated for RP of 2, 5, 10, 50, and 100 years, and most of them are concentrated in the central and northern sectors of the city. During the dry season (December–April), southern CDMX has very high probability of forest fire occurrence. There is high susceptibility of landslides on the west and southwest of the city. The goals of this RA-GIS are to provide a tool to the local and federal authorities and all organizations responsible for disaster prevention and mitigation to: (1) improve the knowledge of the potential physical and social impact of local hazards; (2) provide elements for disaster prevention, mitigation, preparedness, and response; (3) benefit decision-makers with robust risk data; (4) provide information for land-use planning; and (5) support further research to reduce the impact of disasters caused by natural phenomena.
Mapping the impact of papers on various status groups in excellencemapping.net: a new release of the excellence mapping tool based on citation and reader scores
Authors: Bornmann Lutz , Mutz Rüdiger , Haunschild Robin , de Moya-Anegon Felix , de Almeida Madeira Clemente Mirko , Stefaner Moritz 
Published: October 2021

AbstractIn over five years, Bornmann, Stefaner, de Moya Anegon, and Mutz (2014b) and Bornmann, Stefaner, de Moya Anegón, and Mutz (2014c, 2015) have published several releases of thewww.excellencemapping.nettool revealing (clusters of) excellent institutions worldwide based on citation data. With the new release, a completely revised tool has been published. It is not only based on citation data (bibliometrics), but also Mendeley data (altmetrics). Thus, the institutional impact measurement of the tool has been expanded by focusing on additional status groups besides researchers such as students and librarians. Furthermore, the visualization of the data has been completely updated by improving the operability for the user and including new features such as institutional profile pages. In this paper, we describe the datasets for the current excellencemapping.net tool and the indicators applied. Furthermore, the underlying statistics for the tool and the use of the web application are explained.
Use of pooled serum samples to assess herd disease status using commercially available ELISAs
Authors: Hernandez-Medrano Juan Heberth , Espinosa-Castillo Luis Fernando , Rodriguez Ana D. , Gutierrez Carlos G. , Wapenaar Wendela 
Published: October 2021

AbstractPooled samples are used in veterinary and human medicine as a cost-effective approach to monitor disease prevalence. Nonetheless, there is limited information on the effect of pooling on test performance, and research is required to determine the appropriate number of samples which can be pooled. Therefore, this study aimed to evaluate the use of pooled serum samples as a herd-level surveillance tool for infectious production-limiting diseases: bovine viral diarrhoea (BVD), infectious bovine rhinotracheitis (IBR), enzootic bovine leukosis (EBL) andNeospora caninum(NC), by investigating the maximum number of samples one can pool to identify one positive animal, using commercial antibody-detection ELISAs. Four positive field standards (PFS), one for each disease, were prepared by pooling highly positive herd-level samples diagnosed using commercially available ELISA tests. These PFS were used to simulate 18 pooled samples ranging from undiluted PFS to a dilution representing 1 positive in 1,000 animals using phosphate-buffered saline as diluent. A 1:10 dilution of the PFS resulted in positive results for IBR, BVD and EBL. Moreover, for IBR and BVD, results were still positive at 1:100 and 1:30 dilutions, respectively. However, for NC, a lower dilution (8:10) was required for a seropositive result. This study indicates that, at herd-level, the use of pooled serum is a useful strategy for monitoring infectious diseases (BVD, IBR and EBL) but not NC, using readily available diagnostic assays.
Jagd auf den Adlermörder — Entdeckung eines neuen Cyanotoxins
Authors: Breinlinger Steffen , Niedermeyer Timo H. J. 
Published: October 2021

AbstractHunting down the eagle killer: Vacuolar myelinopathy is a neurological disease affecting wildlife — including the iconic bald eagle — in the United States. Its cause has been elusive for decades, but its occurrence has been linked to the cyanobacterium Aetokthonos hydrillicola colonizing the invasive aquatic plant Hydrilla verticillata. In a recent study, we found that A. hydrillicola produces a novel highly toxic biindole alkaloid (aetokthonotoxin), and proved that it is causing the disease.
Von Genen zu Chromosomen: Pflanzenzüchtung mit CRISPR-CAS
Authors: Wetzel Rebecca , Schindele Patrick , Puchta Holger 
Published: October 2021

AbstractUsing the CRISPR-Cas system, it has been possible to introduce different kinds of mutations in single or multiple genes for trait improvement in crops. Last year, for the first time, the CRISPR-Cas-mediated induction of different kinds of targeted heritable chromosomal rearrangements has been achieved in plants. This novel application has the potential to revolutionize plant breeding as genetic exchange and linkage drag are now becoming controllable in a targeted manner.
Analyse von Zellfunktionen mit Hochdurchsatz-Mikroskopie und KI
Authors: Scheeder Christian , Heigwer Florian , Boutros Michael 
Published: October 2021

AbstractGenes that share a distinct phenotype often share biological functions. A principle that is used in genetic screens and that provides the basis for our understanding of key biological processes. Traditionally, individual phenotypes were used to group mutant alleles into cellular pathways. Today, high-throughput technologies allow the screening of thousands of perturbations. Using computational methods and machine learning, millions of images are profiled to assign biological effects to genes and drugs.
Long-term health sequelae and quality of life at least 6 months after infection with SARS-CoV-2: design and rationale of the COVIDOM-study as part of the NAPKON population-based cohort platform (POP)
Authors: Horn A. , Krist L. , Lieb W. , Montellano F. A. , Kohls M. , Haas K. , Gelbrich G. , Bolay-Gehrig S. J. , Morbach C. , Reese J. P. , Störk S. , Fricke J. , Zoller T. , Schmidt S. , Triller P. , Kretzler L. , Rönnefarth M. , Von Kalle C. , Willich S. N. , Kurth F. , Steinbeis F. , Witzenrath M. , Bahmer T. , Hermes A. , Krawczak M. , Reinke L. , Maetzler C. , Franzenburg J. , Enderle J. , Flinspach A. , Vehreschild J. , Schons M. , Illig T. , Anton G. , Ungethüm K. , Finkenberg B. C. , Gehrig M. T. , Savaskan N. , Heuschmann P. U. , Keil T. , Schreiber S. 
Published: October 2021

Abstract
Purpose
Over the course of COVID-19 pandemic, evidence has accumulated that SARS-CoV-2 infections may affect multiple organs and have serious clinical sequelae, but on-site clinical examinations with non-hospitalized samples are rare. We, therefore, aimed to systematically assess the long-term health status of samples of hospitalized and non-hospitalized SARS-CoV-2 infected individuals from three regions in Germany.

Methods
The present paper describes the COVIDOM-study within the population-based cohort platform (POP) which has been established under the auspices of the NAPKON infrastructure (German National Pandemic Cohort Network) of the national Network University Medicine (NUM). Comprehensive health assessments among SARS-CoV-2 infected individuals are conducted at least 6 months after the acute infection at the study sites Kiel, Würzburg and Berlin. Potential participants were identified and contacted via the local public health authorities, irrespective of the severity of the initial infection. A harmonized examination protocol has been implemented, consisting of detailed assessments of medical history, physical examinations, and the collection of multiple biosamples (e.g., serum, plasma, saliva, urine) for future analyses. In addition, patient-reported perception of the impact of local pandemic-related measures and infection on quality-of-life are obtained.

Results
As of July 2021, in total 6813 individuals infected in 2020 have been invited into the COVIDOM-study. Of these, about 36% wished to participate and 1295 have already been examined at least once.

Conclusion
NAPKON-POP COVIDOM-study complements other Long COVID studies assessing the long-term consequences of an infection with SARS-CoV-2 by providing detailed health data of population-based samples, including individuals with various degrees of disease severity.

Trial registration
Registered at the German registry for clinical studies (DRKS00023742).
A new spectrofluorimetric method for the determination of ascorbic acid with bromocresol purple in pharmaceutical samples
Authors: Klepo L. , Ascalic M. , Medunjanin D. , Copra-Janicijevic A. 
Published: October 2021

Abstract
Based on the interaction between ascorbic acid and bromocresol purple, a new simple, straightforward, and quick method for the quantification of ascorbic acid is proposed. The procedure is based on the determined quenching effect of ascorbic acid on the natural fluorescence signal of bromocresol purple in the reaction between ascorbic acid and bromocresol purple in phosphate buffer solution (pH 6). The reduction of bromocresol purple fluorescence intensity is detected at 641 nm, while excitation occurs at 318 nm. The linear relationship between the reduced fluorescence intensity of bromocresol purple and the concentration of ascorbic acid is in the range 4.65 × 10–5 to 4.65 × 10–6 mol L−1 (R2 = 0.9964), with the detection limit of 8.77 × 10–7 mol L−1 and quantification limit of 2.35 × 10–5 mol L−1. The findings in this study further show that the new method provides good precision and repeatability, as well as satisfactory recovery values in terms of accuracy. The new method is tested on fifteen samples with different amounts of ascorbic acid and additional components. The effects of interfering components such as citrus bioflavonoids, citric acid, folic acid, paracetamol, calcium, and magnesium carbonate on the intensity of fluorescence of bromocresol purple are also investigated. The effects of interfering components such as citrus bioflavonoids (routine and hesperidin), citric acid, folic acid, paracetamol, calcium, and magnesium carbonate on the intensity of fluorescence of bromocresol purple are also investigated. The results of iodometric titration point out that the new method is effective for the determination of ascorbic acid in pharmaceutical samples.

Article Highlights

A new spectrofluorimetric method for determination of ascorbic acid in pharmaceutical samples using bromocresol purple.

Determination of optimal parameters for ascorbic acid determination in a variety of pharmaceutical samples.

Examination of the influence of additional substances in the pharmaceutical samples on the analysis.