bluuebunny/crossref_metadata_2025_split huggingface dataset:
From Dimeric to Octameric Metallo‐Supramolecular Macrocycles Based on Sterically Congested Ligand–assisted Self‐Assembly with Zn(II), Cd(II), and Fe(II)
Authors: Guan Shengwen , Yu Hao , Zhang Zhe , Jiang Xin , Shi Junjuan , Lu Tong , Wang Chunyu , Wang Pingshan , Wang Ming 
Published: April 2020

AbstractTwo sterically congested 2,2′:6′,2″‐terpyridine‐based ligands LA and LB, composed of asymmetrically contiguous terpyridine units, are designed and synthesized for metallo‐supramolecular architectures. The significant advantage of this design is that the terpyridines in these ligands have different chemical environments and show a selective coordination ability with each other. For ditopic ligand LA, the self‐assembly with Zn(II), Cd(II), and Fe(II) gave the rhombic dimers, which have the same sets of terpyridine signals as ligand LA. The self‐assembly behavior of tritopic ligand LB with Cd(II) and Zn(II) are observed for discrete tetramers under thermodynamic control, whereas ligand LB and Fe(II) are assembled to generate a mixture of tetramer, hexamer, and octamer, which are successfully isolated using regular chromatographic separation. Moreover, the sterically congested ligands and metal ions formed stable intermediates to drive the formation of discrete structures, which is also proved by mixing LB and Cd(II) with a precise stoichiometric ratio of 1:1. These supramolecular complexes are thoroughly characterized by NMR spectroscopy, electrospray ionization‐mass spectrometry, and 2D traveling‐wave ion mobility‐mass spectrometry. This conceptually new design of sterically congested ligands provides a novel strategy for precisely controlled supramolecular complexes with diverse architectures.
Pedicled perforator‐based flaps: Risk factor analysis, outcomes evaluation and decisional algorithm based on 130 consecutive reconstructions
Authors: Brunetti Beniamino , Barone Mauro , Tenna Stefania , Salzillo Rosa , Segreto Francesco , Persichetti Paolo 
Published: April 2020

AbstractIntroductionPedicled perforator flaps are widely used for soft tissue reconstruction, but evidence in literature about risk factors associated with complications is still controvert. The aim of this study is to evaluate risk factors and outcomes associated with pedicled perforator‐based flaps harvested at different anatomical sites.Patients and methodsSeventy‐one propeller and 59 V‐Y advancement flaps were performed to reconstruct defects of the face (24 cases), trunk (47 cases), and extremities (59 cases). Mean defect and flap area were 32.43 and 43.2 cm2, respectively. The average age recorded was 66 years. We statistically analyzed whether patient and flap‐related variables had an impact on flap vascular complications rate. Patients were asked to rate on a 5‐point Likert scale the aesthetic and functional outcomes of the surgery.ResultsOverall flap complications rate was 23.07%. Coronary heart disease was an independent risk factor for flap complications (p = .010), while hypertension was associated with a lower complication rate (p = .010). The increasing degree of pedicle rotation had a significant impact on the development of flap vascular complications (p = .008). Mean patients' aesthetic and functional ratings were 4.23 of 5 and 4.37 of 5, respectively.ConclusionsWe found a positive correlation between both coronary heart disease and increasing degree of pedicle rotation and complications. Other factors tested were not significantly associated with complications. Patients were overall satisfied with both the aesthetic and functional outcomes of the procedure. The decisional algorithm hereby suggested yields a 93.1% overall success rate and we believe it could be of help to plastic surgeons approaching soft tissue defects.
Development and testing of implanted carbon electrodes for electromagnetic field mapping during neuromodulation
Authors: Ashok Kumar Neeta , Chauhan Munish , Kandala Sri Kirthi , Sohn Sung‐Min , Sadleir Rosalind J. 
Published: April 2020

PurposeDeep brain stimulation electrodes composed of carbon fibers were tested as a means of administering and imaging magnetic resonance electrical impedance tomography (MREIT) currents. Artifacts and heating properties of custom carbon‐fiber deep brain stimulation (DBS) electrodes were compared with those produced with standard DBS electrodes.MethodsElectrodes were constructed from multiple strands of 7‐μm carbon‐fiber stock. The insulated carbon electrodes were matched to DBS electrode diameter and contact areas. Images of DBS and carbon electrodes were collected with and without current flow and were compared in terms of artifact and thermal effects in phantoms or tissue samples in 7T imaging conditions. Effects on magnetic flux density and current density distributions were also assessed.ResultsCarbon electrodes produced magnitude artifacts with smaller FWHM values compared to the magnitude artifacts around DBS electrodes in spin echo and gradient echo imaging protocols. DBS electrodes appeared 269% larger than actual size in gradient echo images, in sharp contrast to the negligible artifact observed in diameter‐matched carbon electrodes. As expected, larger temperature changes were observed near DBS electrodes during extended RF excitations compared with carbon electrodes in the same phantom. Magnitudes and distribution of magnetic flux density and current density reconstructions were comparable for carbon and DBS electrodes.ConclusionCarbon electrodes may offer a safer, MR‐compatible method for administering neuromodulation currents. Use of carbon‐fiber electrodes should allow imaging of structures close to electrodes, potentially allowing better targeting, electrode position revision, and the facilitation of functional imaging near electrodes during neuromodulation.
Lumbosacral ventral root avulsion alters reflex activation of bladder, urethra, and perineal muscles during micturition in female rabbits
Authors: Corona‐Quintanilla Dora Luz , Acosta‐Ortega Cesar , Flores‐Lozada Zamantha , López‐Juárez Rhode , Zempoalteca René , Castelán Francisco , Martínez‐Gómez Margarita 
Published: April 2020

AbstractAimTo determine the effect of the lumbosacral ventral root avulsion (VRA) on the reflex activation of bladder, urethra, and activation of perineal muscles during micturition in female rabbits.MethodsWe allocated 14 virgin female rabbits to evaluate, first, the gross anatomy of lumbosacral spinal cord root (n = 5) and, second, to determine the effect of VRA on perineal muscles during micturition (n = 9). We recorded cystometrograms, urethral pressure, and electromyograms of the bulbospongiosus (Bsm) and ischiocavernosus (Ism) muscles before and after the L6‐S2 VRA. Standard variables were measured from each recording and analyzed to identify significant differences (P < .05).ResultsWe found that the L6‐S2 VRA affected directly the bladder and urethral function and reduced the duration and the frequency of the bursting of Ism and Bsm muscles during voiding. The Ism and Bsm showed a phasic activation, of different frequencies, during the voiding phase and the L6‐S2 VRA inhibited the co‐contraction of the Ism and Bsm‐bladder‐urethra.ConclusionsThe Ism and Bsm are activated at different frequencies to trigger the voiding phase. The L6‐S2 VRA affected the activity pattern of both perineal muscles. These modifications affected the bladder and urethra function. It is possible that the restoration of the activation frequency of perineal muscles contributed for an efficient bladder contraction.
Normal range of values for contractility and relaxation parameters of inspiratory muscles in healthy children: An exploratory study
Authors: Lira Maria , Fregonezi Guilherme , Marcelino Ana A. , Sarmento Antonio , Resqueti Vanessa R. 
Published: April 2020

AbstractObjectivesTo estimate normal range of values for the contractility and relaxation parameters of inspiratory muscles and compare them by sex, age, nutritional status and level of physical activity in healthy children.Working HypothesisWe hypothesized that healthy children present similar range of values for the contractility and relaxation parameters of inspiratory muscles.Study DesignExploratory study conducted between 2017 and 2018.Patient‐Subject SelectionHealthy children aged 6 to 11 years without history of respiratory, cardiac, cerebrovascular or neuromuscular disease as well as no nasal congestion, influenza or known septum deviation were included.MethodologyAnthropometric, spirometry and respiratory muscle strength data were assessed. Maximum rate of pressure development (MRPD), maximum relaxation rate (MRR), time constant of decay curve (τ), contraction time (CT) and half‐relaxation time (½ RT) were calculated from the nasal inspiratory pressure curve.ResultsThe sample was composed of 110 children (55 boys) with 1.045 as mean z‐BMI‐score. MRPD range of values was 8.09% to 10.86% rise/10 ms, MRR range of values was 8.09% to 10.86% fall/10 ms, τ range of values was 36.41 to 49.88 ms, CT range of values was 200 to 276 ms, ½ RT range of values was 117.5 to 148 ms and MRPD/MRR range of values was 0.71 to 1.04. The contractility and relaxation parameters did not present significant differences among children when compared by sex, age, nutritional status, or level of physical activity groups (P > .05).ConclusionsThe contractility and relaxation parameters present similar values among children and they are not influenced by age, sex, nutritional status or physical activity level.
The Effect of the Co‐Solvent on the Aerogel Formation Directly in Supercritical CO2 Medium
Authors: Temnikov Maxim N. , Kononevich Yuriy N. , Popov Alexander Yu. , Vasil'ev Viktor G. , Muzafarov Aziz M. 
Published: April 2020

AbstractA series of flexible hydrophobic siloxane aerogels were obtained by the hydrothiolation reaction in supercritical CO2 medium in the presence of a co‐solvent. The effect of the co‐solvent nature on the aerogel morphology and physico‐mechanical properties were studied. n‐Pentane, a propane/n‐butane mixture, CH2Cl2, dimethyl ether (DME) and 1,1,2‐trichloro‐1,2,2‐trifluoro‐ethane were used as the co‐solvents. The morphology of aerogel particles was studied by SEM. In the case of n‐pentane, propane/n‐butane mixture, CH2Cl2, or DME as the co‐solvents, aerogels with a density of 0.18–0.21 g/cm3 and an average particle size of 0.15‐5.35 μm were obtained. Depending on the morphology, the mechanical properties of aerogels change in the range of 0.2–0.75 MPa (Young's modulus), 38–68 % (compressibility) and 0.11–0.42 MPa (stress rupture). In the case of 1,1,2‐trichloro‐1,2,2‐trifluoro‐ethane as the co‐solvent, the aerogel with an inhomogeneous structure was obtained. All the aerogels studied have a large water contact angle in the range of 142°‐151°.
A Facile One‐Pot Synthesis of 1,2,3,4‐Tetrahydroisoquinoline‐1‐carbonitriles via the Electrogenerated Cyanide Anions from Acetonitrile
Authors: Sbei Najoua , Titov Alexander A. , Markova Ekaterina B. , Elinson Michail N. , Voskressensky Leonid G. 
Published: April 2020

AbstractThe electrosynthesis of 1,2,3,4‐tetrahydroisoquinoline‐1‐carbonitriles by acetonitrile reduction is a green and safe strategy to replace the traditional cyanation. Herein, we have obtained the 1,2,3,4‐tetrahydroisoquinoline‐1‐carbonitrile in good yields by a simple reaction between dihydroisoquinolin‐2‐ium iodide and the electrogenerated acetonitrile formed under low temperature conditions, when a solution of dry acetonitrile is electrolyzed at a Carbon rod as cathode and a magnesium plate as anode in undivided cell.
Web buckling of high‐strength steel plate girders induced by bending curvature
Authors: de Deus Nascimento Sérgio Marcelo , Pedro José J. Oliveira , da Graça André Filipe Biscaya Semedo Pereira 
Published: April 2020

AbstractProfessor Eduardo de Arantes e Oliveira Award at XII Conference on Steel and Composite Construction in Coimbra 2019The simplified formula for the web slenderness limit given in EN 1993‐1‐5 to prevent flange‐induced buckling does not usually govern the web design other than for very slender class 4 plate girder webs in steel grades S235 to S355. However, the same formula applied to plate girders designed in S690 high‐strength steel (HSS) gives lower slenderness limits likely to govern web design and restrains the possibilities for reducing their thickness in order to profit from the high steel resistance. This paper reviews the background to the simplified formula currently used and compares the web slenderness limits obtained with numerical results from a full non‐linear analysis of slender high‐strength steel girders.
Hybrid functionals with system‐dependent parameters: Conceptual foundations and methodological developments
Authors: Zhang Min‐Ye , Cui Zhi‐Hao , Wang Yue‐Chao , Jiang Hong 
Published: April 2020

AbstractApproximate density‐functional theory (DFT) has become the major workhorse of modern computational chemistry and materials science, but the most widely used DFT approaches, local‐density approximation (LDA) and generalized gradient approximation (GGA), suffer from some fundamental deficiencies, including, in particular, the band gap problem. As a relatively cheap way to overcome the difficulty confronted by LDA/GGA, hybrid functional methods have attracted tremendous interest, first in molecular quantum chemistry, and more recently also in computational materials science. While early hybrid functionals use fixed parameters that are determined either by fitting some standard experimental database or based on theoretical arguments, recent studies have clearly indicated that the hybridization parameters carry on the physical significance and therefore should be system‐dependent. Developing theoretical methods to evaluate those parameters in a first‐principles manner has become one of the most active frontiers in theoretical chemistry community, and various schemes have been proposed. In this article, we aim at giving a systematic overview on the main theoretical concepts underlying various strategies and review major methodological developments in the recent years.This article is categorized under:
Structure and Mechanism > Computational Materials Science
Electronic Structure Theory > Ab Initio Electronic Structure Methods
Electronic Structure Theory > Density Functional Theory
Fully automated dried blood spot sample preparation enables the detection of lower molecular mass peptide and non-peptide doping agents by means of LC-HRMS
Authors: Lange Tobias , Thomas Andreas , Walpurgis Katja , Thevis Mario 
Published: April 2020

Abstract
The added value of dried blood spot (DBS) samples complementing the information obtained from commonly routine doping control matrices is continuously increasing in sports drug testing. In this project, a robotic-assisted non-destructive hematocrit measurement from dried blood spots by near-infrared spectroscopy followed by a fully automated sample preparation including strong cation exchange solid-phase extraction and evaporation enabled the detection of 46 lower molecular mass (< 2 kDa) peptide and non-peptide drugs and drug candidates by means of LC-HRMS. The target analytes included, amongst others, agonists of the gonadotropin-releasing hormone receptor, the ghrelin receptor, the human growth hormone receptor, and the antidiuretic hormone receptor. Furthermore, several glycine derivatives of growth hormone–releasing peptides (GHRPs), arguably designed to undermine current anti-doping testing approaches, were implemented to the presented detection method. The initial testing assay was validated according to the World Anti-Doping Agency guidelines with estimated LODs between 0.5 and 20 ng/mL. As a proof of concept, authentic post-administration specimens containing GHRP-2 and GHRP-6 were successfully analyzed. Furthermore, DBS obtained from a sampling device operating with microneedles for blood collection from the upper arm were analyzed and the matrix was cross-validated for selected parameters. The introduction of the hematocrit measurement method can be of great value for doping analysis as it allows for quantitative DBS applications by managing the well-recognized “hematocrit effect.”
Insights into trunks of Pinus cembra L.: analyses of hydraulics via electrical resistivity tomography
Authors: Losso Adriano , Sailer Julia , Bär Andreas , Ganthaler Andrea , Mayr Stefan 
Published: April 2020

Abstract
Key message
The lack of elevational changes in electrical resistivity in Pinus cembra trunks indicated consistent growth and hydraulics across elevations. Though, electrical resistivity tomograms exhibited pronounced temperature-driven seasonal changes.

Abstract
Alpine conifers growing at high elevation are exposed to low temperatures, which may limit xylogenesis and cause pronounced seasonal changes in tree hydraulics. Electrical resistivity (ER) tomography enables minimal invasive monitoring of stems in situ. We used this technique to analyze Pinus cembra trunks along a 400 m elevational gradient up to the timberline and over seasons. Furthermore, ER data of earlywood across tree rings were compared with the respective specific hydraulic conductivity (KS), measured on extracted wood cores. ER tomograms revealed pronounced changes over the year and a strong correlation between average ER (ERmean) and air and xylem temperatures. Surprisingly, no elevational changes in ERmean, earlywood ER or KS were observed. ER data corresponded to variation in earlywood KS, which decreased from the youngest (ca. 4–5 cm2s−1 MPa−1) to the oldest tree rings (0.63 ± 0.22 cm2s−1 MPa−1). The lack of changes in ER data and earlywood KS along the study transect indicated consistent growth patterns and no major changes in structural and functional hydraulic traits across elevation. The constant decrease in earlywood KS with tree ring age throughout all elevations highlights the hydraulic relevance of the outermost tree rings in P. cembra. Seasonal measurements demonstrated pronounced temperature effects on ER, and we thus recommend a detailed monitoring of trunk temperatures for ER tomography.
Ein bronzenes Griffzungenmesser aus dem Burgenland
Authors: Haubner Roland , Strobl Susanne , Thurner Manuela , Herdits Hannes 
Published: April 2020

ZusammenfassungIm Zuge der Untersuchung einer Bergbauhalde wurde in Redlschlag (Bezirk Oberwart) ein spätbronzezeitliches Griffzungenmesser gefunden.Die werkstoffkundliche Untersuchung ergab, dass das Messer aus einer Zinnbronze mit einem Sn Gehalt von etwa 10,5 Gew.% besteht. Das metallische Gefüge zeigt eine gleichmäßige dendritische Erstarrungsstruktur, wobei die Phasen Cu2S und Cu41Sn11 in den interdendritischen Bereichen vorliegen.Da keine auffälligen Verformungen festgestellt wurden, kann angenommen werden, dass keine mechanische Nachbearbeitung des Messers erfolgte. Die Oberfläche ist mit einer gleichmäßigen Patina überzogen, in der Sn angereichert wurde.
Cost-effectiveness analysis of treatment sequences containing tofacitinib for the treatment of rheumatoid arthritis in Spain
Authors: Navarro F. , Martinez-Sesmero J. M. , Balsa A. , Peral C. , Montoro M. , Valderrama M. , Gómez S. , de Andrés-Nogales F. , Casado M. A. , Oyagüez Itziar 
Published: April 2020

Abstract
Objective
To assess the cost-effectiveness of tofacitinib-containing treatment sequences versus sequences containing only standard biological therapies in patients with moderate-to-severe rheumatoid arthritis (RA) after the failure of conventional synthetic disease-modifying antirheumatic drugs (csDMARD-IR population) and in patients previously treated with methotrexate (MTX) who show an inadequate response to second-line therapy with any tumour necrosis factor inhibitor (TNFi-IR population).

Methods
A patient-level microsimulation model estimated, from the perspective of the Spanish Public NHS, lifetime costs and quality-adjusted life years (QALY) for treatment sequences starting with tofacitinib (5 mg twice daily) followed by biological therapies versus sequences of biological treatments only. Concomitant treatment with MTX was considered. Model’s parameters comprised demographic and clinical inputs (initial Health Assessment Questionnaire [HAQ] score and clinical response to short- and long-term treatment). Efficacy was measured by means of HAQ score changes using mixed treatment comparisons and data from long-term extension (LTE) trials. Serious adverse events (SAEs) data were derived from the literature. Total cost estimation (€, 2018) included drug acquisition, parenteral administration, disease progression and SAE management.

Results
In the csDMARD-IR population, sequences starting with tofacitinib proved dominant options (more QALYs and lower costs) versus the corresponding sequences without tofacitinib. In the TNFi-IR population, first-line treatment with tofacitinib+MTX followed by scAbatacept+MTX➔rituximab+MTX➔certolizumab+MTX proved dominant versus scTocilizumab+MTX➔scAbatacept+MTX➔rituximab+MTX➔certolizumab+MTX; and tofacitinib+MTX➔scTocilizumab+MTX➔scAbatacept+MTX➔rituximab+MTX versus scTocilizumab+MTX➔scAbatacept+MTX➔rituximab+MTX➔certolizumab+MTX was less effective but remained a cost-saving option.

Conclusions
Inclusion of tofacitinib seems a dominant strategy in moderate-to-severe RA patients after csDMARDs failure. Tofacitinib, as initial third-line therapy, proved a cost-saving strategy (€− 337,489/QALY foregone) in moderate-to-severe TNFi-IR RA patients.

Key points• Therapeutical approach in rheumatoid arthritis (RA) consisted in sequences of several therapies during patient lifetime.• Treatment sequences initiating with tofacitinib followed by biological drugs provided higher health effects in csDMARDs-IR population, compared with sequences containing only biological drugs.• In both csDMARD-IR and TNFi-IR RA populations, initiating treatment with tofacitinib was associated to lower treatment costs for the Spanish National Health System.
Prospects of insects as food and feed
Authors: van Huis Arnold 
Published: April 2020

AbstractIn the last 10 years, the interest to use insects as food and feed has increased exponentially. In tropical zones, insects are a common food item as they are more readily available as food in nature than in other climate zones. However, if we want to promote insects as food and feed, harvesting from nature is not an option and the farming of these animals is required. This can be done in environmentally controlled facilities. Insects are not only nutritionally excellent food; they may also have health benefits. When using organic side streams as substrate, chemical and biological contaminants need to be considered. People in western countries are not used to eating insects, and therefore, strategies to “convince” consumers of their hygienic safety, environmental sustainability, and tastiness are necessary. The insect sector is maturing fast, but still faces many challenges, which can only be met when all stakeholders cooperate closely.