bluuebunny/crossref_metadata_2025_split huggingface dataset:
Complex single‐molecule and molecular scale entities in electrochemical environments: Mechanisms and challenges
Authors: Engelbrekt Christian , Nazmutdinov Renat R. , Shermukhamedov Shokirbek , Ulstrup Jens , Zinkicheva Tamara T. , Xiao Xinxin 
Published: November 2021

AbstractFollowing a renaissance from the 1980s, electrochemistry has developed into sophisticated interdisciplinary science integrating solid‐state and surface science and further, biological sciences. Most remarkably, even the single‐molecule can now be addressed. Single‐molecule electrochemistry covers transition metal complexes, organic redox molecules, fragile biomolecules, and molecular‐scale hybrids between metallic nanoparticles and complex molecules, supported by new theoretical frames. We overview here selected areas of molecular scale electrochemistry. After a theoretical minimum, we address complex molecules in electron transfer, enzyme catalysis, and nanoparticle catalysis. Our focus is on issues not so much previously highlighted, such as competition between superexchange and sequential conduction, and resonance features in the transition between the two limits. Another aspect is coherent multi‐electron transfer for large bias voltages often needed to drive enough current through solute molecular junctions. We note finally some single‐molecule perspectives relating to DNA‐based molecules and to spin transitions via chiral molecules.
Investigation of thermal flow structure and performance heat transfer in three‐dimensional circular pipe using twisted tape based on Taguchi method analysis
Authors: Al‐Obaidi Ahmed Ramadhan 
Published: November 2021

AbstractIn the current investigation, the twisted tape inserts are considered as the augmentation thermal technique, the influence of a variety of twisted tape configurations on pressure drop characteristics, temperature differences, thermal performance of fluid flow structure, heat transfer improvement, and friction factor are numerically evaluated. The changed geometrical parameters employed for this study comprise twisted tape width, twisted tape thickness, number of turns, and inward thickness are the input parameters. Design of experiments method is applied to analyze the influence of latter various types of geometrical parameters on hydraulic thermofluid pattern and heat transfer improvement in the twisted tube heat exchanger as the output variables. For the experimental design optimization Taguchi analysis is based on investigate of alterations and performs the orthogonal arrays (OA). Moreover, the OA L16 is chosen as the plan of experimental study. It is found the best design of twisted tape in this study by using computational fluid dynamics numerical methodology complained with Taguchi method the enhancement in heat transfer and hence the overall performance evaluation factor is higher than 1.2.
Dietary weight loss in people with severe obesity stabilizes neuropathy and improves symptomatology
Authors: Callaghan Brian C. , Reynolds Evan L. , Banerjee Mousumi , Akinci Gulcin , Chant Ericka , Villegas‐Umana Emily , Rothberg Amy E. , Burant Charles F. , Feldman Eva L. 
Published: November 2021

AbstractObjectiveThe aim of this study was to determine the effect of dietary weight loss on neuropathy outcomes in people with severe obesity.MethodsA prospective cohort study of participants attending a medical weight‐management program was followed. Weight loss was achieved with meal replacement of 800 kcal/d for 12 weeks and then transitioning to 1,200 to 1,500 kcal/d. The coprimary outcomes were changes in intraepidermal nerve fiber density (IENFD) at the distal leg and proximal thigh. Secondary outcomes included nerve conduction studies, Michigan Neuropathy Screening Instrument questionnaire and exam, Quality of Life in Neurological Disorders, and quantitative sensory testing.ResultsAmong 131 baseline participants, 72 (mean [SD] age: 50.1 [10.5] years, 51.4% female) completed 2 years of follow‐up. Participants lost 12.4 (11.8) kg. All metabolic syndrome components improved with the exception of blood pressure. IENFD in the distal leg (0.4 [3.3], p = 0.29), and proximal thigh (0.3 [6.3], p = 0.74) did not significantly change. Improvements were observed on the Michigan Neuropathy Screening Instrument questionnaire, two Quality of Life in Neurological Disorders subdomains, and quantitative sensory testing cold threshold.ConclusionsDietary weight loss was associated with improvements in all metabolic parameters except blood pressure, and both IENFD outcomes remained stable after 2 years. Given that natural history studies reveal decreases in IENFD over time, dietary weight loss may halt this progression, but randomized controlled trials are needed.
Chemical seed priming alleviates salinity stress and improves Sulla carnosa germination in the saline depression of Tunisia
Authors: Bouzidi Amal , Krouma Abdelmajid , Chaieb Mohamed 
Published: November 2021

AbstractIn the saline depressions (Sebkhas) of Tunisia, Sulla carnosa expresses anarchic distribution, sometimes in association with halophytes sometimes individually. In order to explain this distribution, we investigated the effects of salinity on seed germination, the osmotic and toxic limiting factors, and the importance of some stimulating agents (priming agents) in the improvement of the tolerance to salinity at the germinating stage. A study was conducted on seeds harvested from the natural biotope Sebkha d'El Kelbia (35°50′34″N, 10°16′18″E), and an increasing concentration of NaCl (0, 5, 10, 15, and 20 g L−1) was applied. Some priming agents were used to propose efficient, rapid, and low‐cost tools to improve the seed germination and tolerance of Sulla carnosa (Desf.) in saline depression. Salinity stress significantly decreased germination capacity and rate and delayed its initiation and maximum. Until 15‐g L−1 NaCl, the most limiting factor of seed germination is the osmotic effect. At 20‐g L−1 NaCl, the toxic effect dominates, and germination is irreversibly inhibited. Some priming agents have shown their efficiency in improving the germination capacity at 10‐g L−1 NaCl and conferring a salt tolerance of up to 15‐g L−1 NaCl.
Häufigkeitsverteilung und koordinative Umsetzung von Notfalloperationen in deutschen Krankenhäusern
Authors: Janda Matthias , Karaca O. , Brosin A. , Reuter D. A. , Schuster M. 
Published: November 2021

Zusammenfassung
Hintergrund
Die zeitgerechte Durchführung operativer Notfalleingriffe ist von enormer Bedeutung, da dies häufig direkten Einfluss auf die Morbidität und Letalität hat. Gemeinsame Empfehlungen der Fachverbände zur koordinativen Umsetzung liegen seit 2016 vor: N0 (Operation [Op.] sofort), N1 (Op.-Beginn im nächsten freien OP), N2 (Op.-Beginn ≤ 6 h), N3 (Op. am Ende des Elektivprogramms), N4/dringlich (Op. innerhalb von 12–24 h). Ziel dieser Studie war es, die Versorgungsrealität in deutschen Krankenhäusern unterschiedlicher Größe erstmals durch belastbare Daten differenziert zu beschreiben.

Methoden
Die Datenerhebung erfolgte in 26 Krankenhäusern unterschiedlicher Versorgungstypen über einen Zeitraum von 10 Tagen. Untersucht wurde die Häufigkeitsverteilung der einzelnen Notfallkategorien sowie die jeweilige Dauer von der Op.-Meldung bis zum Beginn der Anästhesie bzw. der Op. (Schnitt).

Ergebnisse
Insgesamt wurden 1603 Notfalleingriffe analysiert. Die durchschnittliche Dauer zwischen Op.-Meldung und Beginn der Anästhesie bzw. Schnitt betrug (min): N0 20,7 ± 14,3 bzw. 43,6 ± 31,8; N1 61,5 ± 48,7 bzw. 90,1 ± 56,1; N2 187,9 ± 152,0 bzw. 220,5 ± 153,4; N3 394,5 ± 392,3 bzw. 428,3 ± 397,9; N4/dringlich 494,8 ± 484,4 bzw. 519,6 ± 486,6. Die Verteilung der Notfallkategorien unterschied sich nicht signifikant zwischen Grund‑, Regel- und Schwerpunktversorgern im Vergleich zu Maximalversorgern, einschließlich Universitätskliniken, (p = 0,731). Die Zeitdauern bis zur Realisierung des Notfalls unterschieden sich in Abhängigkeit vom Versorgungstyp nur gering und zeigten sich nur für N1 beim Beginn der Anästhesie sowie N3 beim Beginn der Anästhesie und beim Schnitt als statistisch signifikant.

Schlussfolgerung
Notfälle mit hoher Dringlichkeit werden in den teilnehmenden Häusern sehr zeitnah operativ versorgt. Die Unterschiede im Zeitmanagement zur Realisierung von Notfällen zwischen Grund‑, Regel- und Schwerpunktversorgern im Vergleich zu Maximalversorgern, einschließlich Universitätskliniken, waren nur gering.
Comparison of LC-ESI, DART, and ASAP for the analysis of oligomers migration from biopolymer food packaging materials in food (simulants)
Authors: Osorio Jazmín , Aznar Margarita , Nerín Cristina , Elliott Christopher , Chevallier Olivier 
Published: November 2021

Abstract
Biopolymers based on polylactic acid (PLA) and starch have numerous advantages, such as coming from renewable sources or being compostable, though they can have deficiencies in mechanical properties, and for this reason, polyester resins are occasionally added to them in order to improve their properties. In this work, migration from a PLA sample and from another starch-based biopolymer to three different food simulants was studied. Attention was focused on the determination of oligomers. The analysis was first performed by ultraperformance liquid chromatography quadrupole-time-of-flight mass spectrometry (UPLC-Q-TOF–MS), which allowed the identification of the oligomers present in migration. Then, the samples were analyzed by two ambient desorption/ionization techniques directly coupled to mass spectrometry (ADI), direct analysis in real-time coupled to standardized voltage and pressure (DART-MS) and atmospheric pressure solids analysis probe (ASAP-MS). These methodologies were able to detect simultaneously the main oligomers migrants and their adducts in a very rapid and effective way. Nineteen different polyester oligomers, fourteen linear and five cyclic, composed of different combinations of adipic acid [AA], propylene glycol [PG], dipropylene glycol [DPG], 2,2-dibutyl-1,3-propanediol [DBPG], or isobutanol [i-BuOH] were detected in migration samples from PLA. In migration samples from starch-based biopolymer, fourteen oligomers from poly(butylene adipate co-terephthalate) polyester (PBAT) were identified, twelve cyclic and two linear. The results from ADI techniques showed that they are a very promising alternative tool to assess the safety and legal compliance of food packaging materials.
Graphical abstract
Safety, antitumor activity, and pharmacokinetics of dostarlimab, an anti-PD-1, in patients with advanced solid tumors: a dose–escalation phase 1 trial
Authors: Patnaik Amita , Weiss Glen J. , Rasco Drew W. , Blaydorn Lisa , Mirabella Amy , Beeram Murali , Guo Wei , Lu Sharon , Danaee Hadi , McEachern Kristen , Im Ellie , Sachdev Jasgit C. 
Published: November 2021

Abstract
Purpose
New immuno-oncology therapies targeting programmed cell death receptor 1 (PD-1) have improved patient outcomes in a broad range of cancers. The objective of this analysis was to evaluate the PK, pharmacodynamics (PDy), and safety of dostarlimab monotherapy in adult patients with previously-treated advanced solid tumors who participated in parts 1 and 2A of the phase 1 GARNET study.

Methods
Part 1 featured a 3 + 3 weight-based dose–escalation study, in which 21 patients received dostarlimab 1, 3, or 10 mg/kg intravenously every 2 weeks. The 2 fixed-dose nonweight-based dosing regimens of dostarlimab 500 mg every 3 weeks (Q3W) and 1000 mg every 6 weeks (Q6W) were evaluated using a modified 6 + 6 design in part 2A (n = 13). In parts 1 and 2A, treatment with dostarlimab could continue for up to 2 years or until progression, unacceptable toxicity, patient withdrawal, investigator’s decision, or death.

Results
The dostarlimab PK profile was dose proportional, and maximal achievable receptor occupancy (RO) was observed at all dose levels in the weight-based and fixed-dose cohorts. Trough dostarlimab concentration after administration of dostarlimab 500 mg Q3W was similar to that after dostarlimab 1000 mg Q6W, the values of which (≈40 µg/mL) projected well above the lowest dostarlimab concentration required for full peripheral RO. No dose-limiting toxicities were observed.

Conclusions
Dostarlimab demonstrated consistent and predictable PK and associated PDy. The observed safety profile was acceptable and characteristic of the anti-PD-1 drug class.
Trial registration: ClinicalTrials.gov, NCT02715284. Registration date: March 9, 2016.
Pointwise Remez inequality
Authors: Eichinger B. , Yuditskii P. 
Published: November 2021

AbstractThe standard well-known Remez inequality gives an upper estimate of the values of polynomials on $$[-1,1]$$

[
-
1
,
1
]

if they are bounded by 1 on a subset of $$[-1,1]$$

[
-
1
,
1
]

of fixed Lebesgue measure. The extremal solution is given by the rescaled Chebyshev polynomials for one interval. Andrievskii asked about the maximal value of polynomials at a fixed point, if they are again bounded by 1 on a set of fixed size. We show that the extremal polynomials are either Chebyshev (one interval) or Akhiezer polynomials (two intervals) and prove Totik–Widom bounds for the extremal value, thereby providing a complete asymptotic solution to the Andrievskii problem.
Statistics decrypted—a comprehensive review and smartphone-assisted five-step approach for good statistical practice
Authors: Guglielmetti Laura C. , Faber-Castell Fabio , Fink Lukas , Vuille-dit-Bille Raphael N. 
Published: November 2021

Abstract
Background
Statistic scripts are often made by mathematicians and cryptic for clinicians or non-mathematician scientists. Nevertheless, almost all research projects necessitate the application of some statistical tests or at least an understanding thereof. The present review aims on giving an overview of the most common statistical terms and concepts. It further ensures good statistical practice by providing a five-step approach guiding the reader to the correct statistical test.

Methods and results
First, different types of variables and measurements to describe a data set with means of descriptive statistics are introduced. The basic thoughts and tools of interferential statistics are presented, and different types of bias are discussed. Then in the final paragraph, the most commonly used statistical tests are described. A smartphone app accessible via QR code finally guides the reader in five steps to the correct statistical test, depending on the data used in order to avoid commonly performed mistakes.

Conclusions
The five-step approach sets a new minimal standard for good statistical practice.
A proposal of model for a quality management system in research testing laboratories
Authors: Martínez-Perales Silvia , Ortiz-Marcos Isabel , Ruiz Jesús Juan 
Published: November 2021

AbstractThere is a broad consensus on the importance and advisability of testing laboratories adopting a Quality Management System (QMS) to support their work, no matter they are industrial or research oriented. However, laboratories involved in R&D have specific difficulties to implement a QMS due to the peculiar nature of their activity. This paper analyzes the main challenges and difficulties found by professionals when implementing a QMS in a research testing laboratory, based on the literature review and a questionnaire with 86 laboratories participating performed in collaboration with RedLab (Red de Laboratorios de la Comunidad de Madrid). After this analysis, a set of requirements for the competence of research testing laboratories based on ISO/IEC 17025 and UNE 166002 is defined, and an agile methodology for the fulfilment of these requirements is proposed.
Calcium channel blocker in patients with chronic kidney disease
Authors: Ohno Shoko , Ishii Akira , Yanagita Motoko , Yokoi Hideki 
Published: November 2021

Abstract
Background
Chronic kidney disease (CKD) is involved in a progressive deterioration in renal function over the years and is now a global public health problem. Currently, reducing the number of patients progressing to end-stage renal failure is urgently necessary. Hypertension and CKD interact with each other, and good control of blood pressure (BP) can improve CKD patients’ prognosis. With the current global trend for more strict BP control, the importance of BP management and the need for medication to achieve this strict goal are increasing. Calcium channel blockers (CCBs), which target voltage-dependent calcium channels, are frequently used in combination with renin–angiotensin–aldosterone system inhibitors for CKD patients because of their strong BP-lowering properties and relatively few adverse side effects. Calcium channels have several subtypes, including L, N, T, P/Q, and R, and three types of CCBs, L-type CCBs, L-/T-type CCBs, and L-/N-type CCBs, that are available. Nowadays, the new functions and effects of the CCBs are being elucidated.

Conclusion
We should use different types of CCBs properly depending on their pharmacological effects, such as the strength of antihypertensive effects and the organ protection effects, taking into account the pathophysiology of the patients. In this article, the role and the use of CCBs in CKD patients are reviewed.
Developing Authenticity, Building Connections: Exploring Research Methodologies in Asia
Authors: Atkinson-Sheppard Sally 
Published: November 2021

AbstractThe article considers the methodological opportunities and challenges associated with three large-scale ethnographic studies conducted in Bangladesh, China, and Nepal. It reflects on how locally and regionally embedded cultural practises and meanings shape Asian criminological research projects. The article argues that conducting research in certain Asian contexts benefits from an awareness and sensitivity to specific modalities of culture in these regions. The following deliberations reflect on the importance of developing authenticity and building connections, embedded within concepts specific, and relevant to research in Asia—relationality, guanxi, patronage, and adda. The challenges of the research projects, of which there were many, are also discussed and include dichotomies between research conducted in the global North and global South, coloniality, ethics, and issues faced by a British researcher, conducting research in Asia.
Scutellarin Reduces Cerebral Ischemia Reperfusion Injury Involving in Vascular Endothelium Protection and PKG Signal
Authors: Chen Ya-Juan , Chen Chen , Li Meng-Yuan , Li Qing-Qing , Zhang Xiu-Juan , Huang Rong , Zhu Xing-Wei , Bai Chun-Yun , Zhang Liu-Yi , Peng Pei-Hua , Yang Wei-Min 
Published: November 2021

AbstractFlavonoid glycoside scutellarin (SCU) has been widely applied in the treatment of cerebral ischemic diseases in China. In this article, we conducted research on the working mechanisms of SCU in hypoxia reoxygenation (HR) injury of isolated cerebral basilar artery (BA) and erebral ischemia reperfusion (CIR) injury in rat models. In isolated rat BA rings, HR causes endothelial dysfunction (ED) and acetylcholine (ACh) induces endothelium-dependent vasodilation. The myography result showed that SCU (100 µM) was able to significantly improve the endothelium-dependent vasodilation induced by Ach. However, SCU did not affect the ACh-induced relaxation in normal BA. Further studies suggested that SCU (10–1000 µM) dose-dependently induced relaxation in isolated BA rings which were significantly blocked by the cGMP dependent protein kinase (PKG) inhibitor Rp-8-Br-cGMPs (PKGI-rp, 4 µM). Pre-incubation with SCU (500 µM) reversed the impairment of endothelium-dependent vasodilation induced by HR, but the reversing effect was blocked if PKGI-rp (4 µM) was added. The brain slice staining test in rats’ model of middle cerebral artery occlusion (MCAO) induced CIR proved that the administration of SCU (45, 90 mg/kg, iv) significantly reduced the area of cerebral infarction. The Western blot assay result showed that SCU (45 mg/kg, iv) increased brain PKG activity and PKG protein level after CIR surgery. In conclusion, our findings suggested that SCU possesses the ability of protecting brain cells against CIR injury through vascular endothelium protection and PKG signal.
Graphic Abstract
Graph convolutional and attention models for entity classification in multilayer networks
Authors: Zangari Lorenzo , Interdonato Roberto , Calió Antonio , Tagarelli Andrea 
Published: November 2021

AbstractGraph Neural Networks (GNNs) are powerful tools that are nowadays reaching state of the art performances in a plethora of different tasks such as node classification, link prediction and graph classification. A challenging aspect in this context is to redefine basic deep learning operations, such as convolution, on graph-like structures, where nodes generally have unordered neighborhoods of varying size. State-of-the-art GNN approaches such as Graph Convolutional Networks (GCNs) and Graph Attention Networks (GATs) work on monoplex networks only, i.e., on networks modeling a single type of relation among an homogeneous set of nodes. The aim of this work is to generalize such approaches by proposing a GNN framework for representation learning and semi-supervised classification in multilayer networks with attributed entities, and arbitrary number of layers and intra-layer and inter-layer connections between nodes. We instantiate our framework with two new formulations of GAT and GCN models, namely and , specifically devised for general, attributed multilayer networks. The proposed approaches are evaluated on an entity classification task on nine widely used real-world network datasets coming from different domains and with different structural characteristics. Results show that both our proposed and methods provide effective and efficient solutions to the problem of entity classification in multilayer attributed networks, being faster to learn and offering better accuracy than the competitors. Furthermore, results show how our methods are able to take advantage of the presence of real attributes for the entities, in addition to arbitrary inter-layer connections between the nodes in the various layers.
The role of higher education in spatial mobility
Authors: Kosztyán Zsolt Tibor , Csányi Vivien Valéria , Banász Zsuzsanna , Jakobi Ákos , Neumanné-Virág Ildikó , Telcs András 
Published: November 2021

AbstractThe role of higher education in social and spatial mobility has attracted considerable attention. However, there are very few countrywide databases that follow the career paths of graduates from their place of birth, through their enrollment in university, and ultimately to their workplace. However, in Hungary, there is an excellent source maintained by the government’s Education Authority containing information on career tracks, which allows one to follow all students from their place of birth, through their choice of higher education institution, to their workplace. With the combination of gravity-like economic models and the proposed mobility network, this paper examines the mediating and retaining role of institutions. This paper also proposes how to calculate the added value of location and institution in salaries and how to use these values to explain mobility between locations. The paper also shows how economic inequities influence revealed application preferences through the asymmetry of the mobility network.