bluuebunny/crossref_metadata_2025_split huggingface dataset:
α‐Asarone, β‐asarone, and γ‐asarone: Current status of toxicological evaluation
Authors: Uebel Thomas , Hermes Lena , Haupenthal Sabrina , Müller Lena , Esselen Melanie 
Published: November 2020

AbstractAsarone isomers are naturally occurring in Acorus calamus Linné, Guatteria gaumeri Greenman, and Aniba hostmanniana Nees. These secondary plant metabolites belong to the class of phenylpropenes (phenylpropanoids or alkenylbenzenes). They are further chemically classified into the propenylic trans‐ and cis‐isomers α‐asarone and β‐asarone and the allylic γ‐asarone.Flavoring, as well as potentially pharmacologically useful properties, enables the application of asarone isomers in fragrances, food, and traditional phytomedicine not only since their isolation in the 1950s. However, efficacy and safety in humans are still not known. Preclinical evidence has not been systematically studied, and several pharmacological effects have been reported for extracts of Acorus calamus and propenylic asarone isomers. Toxicological data are rare and not critically evaluated altogether in the 21st century yet.Therefore, within this review, available toxicological data of asarone isomers were assessed in detail. This assessment revealed that cardiotoxicity, hepatotoxicity, reproductive toxicity, and mutagenicity as well as carcinogenicity were described for propenylic asarone isomers with varying levels of reliability. The toxicodynamic profile of γ‐asarone is unknown except for mutagenicity.Based on the estimated daily exposure and reported adverse effects, officials restricted or published recommendations for the use of β‐asarone and preparations of Acorus calamus. In contrast, α‐asarone and γ‐asarone were not directly addressed due to a limited data situation.
Renal Phosphate Handling: Independent Effects of Circulating FGF23, PTH, and Calcium
Authors: McKenna Malachi J , Crowley Rachel K , Twomey Patrick J , Kilbane Mark T 
Published: November 2020

ABSTRACTExcess fibroblast growth factor 23 (FGF23), excess PTH, and an increase in extracellular calcium cause hypophosphatemia by lowering the maximum renal phosphate reabsorption threshold (TmP/GFR). We recently reported two cases of X‐linked hypophosphatemia (XLH) with severe tertiary hyperparathyroidism who had normalization of TmP/GFR upon being rendered hypoparathyroid following total parathyroidectomy, despite marked excess in both C‐terminal FGF23 (cFGF23) and intact FGF23 (iFGF23). We explored the effects of FGF23, PTH, and calcium on TmP/GFR in a cross‐sectional study (n = 74) across a spectrum of clinical cases with abnormalities in TmP/GFR, PTH, and FGF23. This comprised three groups: FGF23‐dependent hypophosphatemia (n = 27), hypoparathyroidism (HOPT; n = 17), and chronic kidney disease (n = 30). Measurements included TmP/GFR, cFGF23, PTH, ionized calcium, vitamin D metabolites, and bone turnover markers. The combined effect of cFGF23, PTH, and ionized calcium on TmP/GFR was modeled using hierarchical multiple regression and was probed by moderation analysis with PROCESS. Modeling analysis showed independent effects on TmP/GFR by cFGF23, PTH, and ionized calcium in conjunction with a weak but significant effect of the interaction term for PTH and FGF23; probing showed that the effect was most prominent during PTH deficiency. Teriparatide 20 μg daily was self‐administered for 28 days by one case of X‐linked hypophosphatemia with hypoparathyroidism (XLH‐HOPT) to assess the response of TmP/GFR, cFGF23, iFGF23, nephrogenous cyclic adenosine monophosphate (NcAMP), vitamin D metabolites, and bone turnover markers. After 28 days, TmP/GFR was lowered from 1.10 mmol/L to 0.48 mmol/L; this was accompanied by increases in NcAMP, ionized calcium, and bone turnover markers. In conclusion, the effect of FGF23 excess on TmP/GFR is altered by PTH such that the effect is ameliorated by hypoparathyroidism and the effect is augmented by hyperparathyroidism. © 2020 The Authors. JBMR Plus published by Wiley Periodicals LLC. on behalf of American Society for Bone and Mineral Research.
Prediction of lattice energy of benzene crystals: A robust theoretical approach
Authors: Nguyen Anh L. P. , Mason Thomas G. , Freeman Benny D. , Izgorodina Ekaterina I. 
Published: November 2020

AbstractWe present an inexpensive and robust theoretical approach based on the fragment molecular orbital methodology and the spin‐ratio scaled second‐order Møller–Plesset perturbation theory to predict the lattice energy of benzene crystals within 2 kJ⋅mol−1. Inspired by the Harrison method to estimate the Madelung constant, the proposed approach calculates the lattice energy as a sum of two‐ and three‐body interaction energies between a reference molecule and the surrounding molecules arranged in a sphere. The lattice energy converges rapidly at a radius of 13 Å. Adding the corrections to account for a higher correlated level of theory and basis set superposition for the Hartree Fock (HF) level produced a lattice energy of −57.5 kJ⋅mol−1 for the benzene crystal structure at 138 K. This estimate is within 1.6 kJ⋅mol−1 off the best theoretical prediction of −55.9 kJ⋅mol−1. We applied this approach to calculate lattice energies of the crystal structures of phase I and phase II—polymorphs of benzene—observed at a higher temperature of 295 K. The stability of these polymorphs was correctly predicted, with phase II being energetically preferred by 3.7 kJ⋅mol−1 over phase I. The proposed approach gives a tremendous potential to predict stability of other molecular crystal polymorphs.
Application of Microdosed Intravenous Omeprazole to Determine Hepatic CYP2C19 Activity
Authors: Mahmoudi Mazyar , Foerster Kathrin I. , Burhenne Jürgen , Weiss Johanna , Mikus Gerd , Haefeli Walter E. 
Published: November 2020

AbstractOmeprazole is an established probe drug to assess cytochrome P450 (CYP) 2C19 activity (phenotyping). Because it has nonlinear pharmacokinetics (PK) after oral administration (autoinhibition of metabolism), the true impact of coadministered perpetrators on CYP2C19 substrates might be underestimated after regular doses. We tested the dose linearity of an intravenous omeprazole microdose of 100 µg and compared it with a 20‐mg dose in 4 healthy poor metabolizers (PMs) and 6 extensive metabolizers (EMs) of CYP2C19 in the presence and absence of a strong inhibitor (voriconazole). Without voriconazole, omeprazole exposure was dose‐proportional irrespective of the genotype, but in PMs geometric mean ratios (GMRs) of AUC0‐∞ were 6.6‐fold higher and molar metabolic ratios of 5‐OH omeprazole/omeprazole approximately 10‐fold lower. Voriconazole increased omeprazole exposure in EMs approximately 5‐fold (AUC0‐4 GMR after 100 µg omeprazole, 4.61; 90% confidence interval [CI], 2.69‐7.89; AUC0‐4 GMR after 20 mg omeprazole, 5.5; 90%CI, 1.07‐1.46), whereas no clinically significant impact on PK in PMs was observed (GMR AUC0‐4 after 100 µg omeprazole, 1.29; 90%CI, 0.81‐2.04; GMR AUC0‐4 after 20 mg omeprazole, 1.25; 90%CI, 1.07‐1.46). Linear regression and Bland‐Altman analyses revealed excellent agreement between AUC0‐∞ and AUC0‐4 of omeprazole (r2 = 0.987; bias, 0.35%; 95%CI, −3.197% to 3.89%) and also the molar metabolic ratio, 5‐OH omeprazole/omeprazole (r2 = 0.987; bias, −3.939; 95%CI, −9.06% to −1.18%), suggesting that an abbreviated sampling protocol can be used for intravenous CYP2C19 phenotyping and drug interaction studies. In conclusion, the PK of intravenous omeprazole microdoses closely reflects the changes observed with regular omeprazole doses; however, to avoid autoinhibition of probe drugs, microdosing appears to be the favorable technique.
Alternative acetone–water separation process through the application of aqueous two‐phase systems
Authors: García Gómez José Omar , Rodríguez Olalde Nancy Eloisa , Vargas Tah Ana Alejandra , Rito‐Palomares Marco , Nápoles‐Rivera Fabricio , Castro Montoya Agustin Jaime 
Published: November 2020

AbstractBACKGROUNDThe central stage of biotechnological production is the transformation of renewable raw materials into bioproducts in a water‐based bioreactor. The fermentation broth usually has a low concentration (less than 10%) of the bioproduct, which requires the application of subsequent separation and purification processes. For many bioproducts, separation is complicated by the presence of non‐ideal thermodynamics or azeotropic points, which makes it impossible to purify the bioproduct by traditional methods, such as conventional distillation. In a search for alternative recovery methods for bioproducts or dehydration of organic mixtures this study proposes an alternative process for the dehydration of acetone by liquid–liquid extraction based on experimental results obtained using an aqueous two‐phase system (ATPS) for an acetone–water–potassium carbonate mixture.RESULTSThe experimental results of the liquid–liquid equilibrium for the acetone–water–potassium carbonate ternary system at 25 °C was fitted to an ELECNRTL thermodynamic model (binodal curve and distribution lines). A good correlation with the experimental data was observed. The Hunter–Nash method was applied to the experimental single‐stage liquid–liquid extraction, which operates at room temperature, and a concentration greater than 95 wt% of acetone was achieved starting from a mixture of 10 wt%. By simulation with the decanter block of Aspen Plus, results that were very close to the experimental results were obtained.CONCLUSIONThese findings suggest that in the foreseeable future ATPSs will have wide application both at the laboratory level and on a large scale for the dehydration of bioproducts and the separation of azeotropic mixtures. © 2020 Society of Chemical Industry
Molecular mechanism of Chinese alligator (Alligator sinensis) adapting to hibernation
Authors: Zhang Jihui , Cai Ruiqing , Liang Juanjuan , Izaz Ali , Shu Yilin , Pan Tao , Wu Xiaobing 
Published: November 2020

AbstractHibernation is a physiological state for Chinese alligators to cope with cold weather. In mammals, gene expression changes during hibernation and their regulatory mechanisms have been extensively studied, however, these studies in reptiles are still rare. Here, integrated analysis of messenger RNA (mRNA), microRNA (miRNA), and long noncoding RNA (lncRNA) reveals the molecular mechanisms of the hypothalamus, liver, and skeletal muscle in hibernating and active individuals. During hibernation, the number of genes increased in the hypothalamus, liver, and skeletal muscle was 585, 282, and 297, while the number of genes decreased was 215, 561, and 627, respectively, as compared with active individuals. Through Gene Ontology and Kyoto Encyclopedia of Genes and Genomes enrichment analysis, the differential expressed genes were mainly enriched in DNA damage repair, biological rhythm, energy metabolism, myoprotein degradation, and other related items and pathways. Besides, 4740 miRNAs were identified in three tissues. Through the comprehensive analysis of miRNA and mRNA abundance profiles, 12,291, 6997, and 8232 miRNA–mRNA pairs all showed a negative correlation in the hypothalamus, liver, and skeletal muscle, respectively. Some miRNA target genes were related tobiological rhythm and energy metabolism, suggesting that miRNA may play an important role in the physiological metabolism of the hibernating adaptability of Chinese alligators. Moreover, 402, 230, and 130 differentially expressed lncRNAs were identified in the hypothalamus, liver, and skeletal muscle, respectively. The targeting relationship of four lncRNA–mRNA pairs were predicted, with the main function of target genes involved in the amino acid transportation. These results are helpful to further understand the molecular regulatory basis of the hibernation adaptation in Chinese alligators.
Extremal digraphs on Woodall‐type condition for Hamiltonian cycles in balanced bipartite digraphs
Authors: Wang Ruixia 
Published: November 2020

AbstractAdamus et al proved that: a balanced bipartite digraph of order is Hamiltonian if whenever and belong to different partite sets and . They also showed that the bound is sharp. In this paper, we shall show that the extremal digraph of this condition is a digraph of six vertices.
Adult T cell leukaemia/lymphoma (ATL) in pregnancy: A UK case series
Authors: Motedayen Aval Leila , Boullier Mary , Lyall Hermione , Collins Graham P. , Ayto Robert , Kelly Dominic F. , Tedder Richard S. , Drysdale Simon B. , Taylor Graham P. , Cook Lucy B. 
Published: November 2020

AbstractIntroductionChronic infection with human T‐cell lymphotropic virus type‐1 (HTLV‐1) may result in aggressive adult T‐cell leukaemia/lymphoma (ATL) in 4‐6% carriers. The majority of this risk arises in carriers infected during infancy, and so each infant has ∼25% lifetime risk. Other risk factors include a family history of ATL. Antenatal HTLV‐1 screening is not undertaken in the UK.MethodsHere we describe four cases of ATL diagnosed during pregnancy and describe strategies to minimise HTLV‐1 transmission to neonates.Results/conclusionThese cases highlight undiagnosed HTLV‐1 in pregnancy which allows ongoing mother to child vertical transmission and risk of future ATL. We recommend the UK National Screening Committee incorporate HTLV‐1 serology into antenatal screening.
Quantile regression averaging‐based probabilistic forecasting of daily ambient temperature
Authors: Tripathy Debesh S. , Prusty B Rajanarayan 
Published: November 2020

AbstractThe inclusion of conductor temperature variations for numerous power system planning and operational studies has long been recognized in the literature. The conductor temperature is majorly affected by environmental factors such as the ambient temperature. An efficient forecasting technique for forecasting ambient temperature is the need of the hour to prevent unexpected hazards in power systems and other areas caused due to temperature variations. Numerous researches have proposed different point forecasting and probabilistic forecasting models for the forecasting of ambient temperature. The probabilistic forecasting of ambient temperature provides complete information about future uncertainties, therefore quantifying the effects of daily temperature variations. A forecast combination approach, such as the quantile regression averaging, has never been utilized in this context. The selection of suitable point forecasters that complement each other's effects by characterizing different aspects of the ambient temperature data for averaging and the use of frequency components that explain the daily and periodic seasonal variations of ambient temperature to construct a forecasting model are the significant features of this paper. The proposed model is used with four varieties, and each is compared with the others. It is found that the variant using all the complementary individual point forecasters performs better in making probabilistic forecasts than the other options as well as better than the popular quantile k‐nearest neighbors, quantile egression forests, and basic quantile regression as inferred from the quantile score, Winkler score, and reliability plots.
Antibiofilm effect of ozonized physiological saline solution on peri‐implant–related biofilm
Authors: Tonon Caroline C. , Panariello Beatriz H. D. , Spolidorio Denise M. P. , Gossweiler Ana G. , Duarte Simone 
Published: November 2020

AbstractBackgroundRemoval of dental plaque and local application of local chemical adjuncts, such as chlorhexidine (CHX), have been used to control and treat peri‐implant disease. However, these methods can damage the surface properties of the implants or promote bacterial resistance. The application of ozone as an adjunctive treatment represents a new approach in the management of peri‐implantitis. Thus, the purpose of this study was to evaluate the antimicrobial effect of ozonized physiological saline solution in different concentrations against oral biofilms developed on titanium surface.MethodsSingle and multi‐species biofilms of Porphyromonas gingivalis, Fusobacterium nucleatum, and Streptococcus oralis were formed on titanium specimens for 5 days in anaerobic conditions. Biofilms were treated with ozonized saline solution at different concentrations (25, 50, and 80 μg/NmL), for 30 seconds and 1 minute. CHX (0.12%) and saline solution (0.89% NaCl) were used as positive and negative controls, respectively. Bacterial viability was quantified by colony forming units (CFU mL−1), and biofilm images were acquired by confocal laser scanning microscopy (CLSM). Data were analyzed by parametric test (ANOVA) with Tukey post‐hoc test (P < 0.05).ResultsOzonized saline solution showed antibiofilm activity at a concentration of 80 μg/NmL for 30 seconds and 1 minute, reducing, mainly, Porphyromonas gingivalis viability, with 2.78 and 1.7 log10 CFU mL−1 of reduction in both single and multi‐species biofilms, respectively, when compared to the control (saline), whereas CHX reduced 1.4 and 1.2 log10 CFU mL−1.ConclusionOzonized saline solution has antibiofilm activity, with better effect when applied for 1 minute at 80 μg/NmL, being a promising candidate therapy for the treatment of peri‐implant diseases.
Chemical processing of interfacially assembled metal nanowires for surface‐enhanced Raman scattering detection of food contaminants
Authors: Duan Bo , Hou Shuai , Wang Peng , Chen Yonghao , Xiong Qirong , Das Paramita , Duan Hongwei 
Published: November 2020

AbstractWe report a new strategy for the fabrication of Ag–Au bimetallic nanowire (NW) arrays by taking advantage of interfacial assembly of plasmonic nanoparticles and galvanic replacement reactions. Galvanic replacement reactions led to the formation of nanospikes on NWs, giving rise to a high density of hotspots across the entire NW array. We employed this NW array as a surface‐enhanced Raman scattering (surface‐enhanced Raman spectroscopy [SERS]) substrate for the detection of two types of food contaminants: thiram (a pesticide) and melamine (an adulterant). Limits of detection (LODs) of 1 and 10 nM were achieved for thiram in juice samples and melamine in milk samples, respectively. Both LODs are lower than the maximum acceptable concentrations imposed by the US government. The results demonstrate tremendous practical potential of Ag–Au NW arrays as surface‐enhanced Raman scattering substrates for the detection of food contaminants.
Correlation between ferromagnetic and isotopic tracers for sentinel lymph node detection in cutaneous melanoma: IMINEM study
Authors: Piñero‐Madrona Antonio , Nicolás‐Ruiz Francisco , Rull‐Ortuño Ramón , Vidal‐Sicart Sergi , Cabañas‐Montero Jacobo , Rioja‐Martín Mª Eugenia , Rodríguez‐Fernández Roberto , Gil‐Olarte María Ángeles , González‐García Beatriz , Sánchez Jesús Hernández‐Gil 
Published: November 2020

AbstractBackgroundThe usefulness of sentinel lymph node biopsy (SLNB) in staging cutaneous melanoma has been proven. Therefore, different tracers have been used to identify the sentinel lymph nodes (SLNs). The use of isotopic tracers together with radioactivity detectors allowed a much more precise and direct approach to the SLNs. However, not all centres have access to a Nuclear Medicine department hindering sentinel lymph node detection (SLND) and consequently, other markers such as ferromagnetic tracers have been evaluated looking for the same advantages and effectiveness as isotopic tracers. Ferromagnetic tracers have proven their usefulness in other cancer entities such as breast, prostate and thyroid cancer. The objective was to assess the detection and concordance rates between isotopic and ferromagnetic techniques for SLNB in cutaneous melanoma.MethodIsotopic SLNB technique and ferromagnetic tracer were compared for cutaneous melanoma in a non‐inferiority multicentre prospective study carried out in six Spanish hospitals.ResultsA total of 60 patients were recruited and 133 lymph nodes removed. The detection rate was slightly higher with ferromagnetic tracer in head‐neck and trunk melanomas, and with isotopic tracer in limbs. The patients' and nodes' concordance rates between both techniques for ex vivo samples were 95% and 86% for head‐neck and trunk tumours and 97% and 93% for limbs tumours, respectively. The concordance rates for involved nodes were 100% and 88.2% for patients and nodes, respectively.ConclusionThe intraoperative detection and biopsy of SLN in cutaneous melanoma using a ferromagnetic was a reliable alternative method to the isotopic technique in cutaneous melanomas.
Effects of systemically administered abaloparatide, an osteoanabolic PTHrP analog, as an adjuvant therapy for spinal fusion in rats
Authors: Arlt Heike , Besschetnova Tatiana , Ominsky Michael S. , Fredericks Douglas C. , Lanske Beate 
Published: November 2020

AbstractBackgroundAbaloparatide is a parathyroid hormone receptor agonist that increases bone formation and reduces vertebral and nonvertebral fracture risk in women with postmenopausal osteoporosis. Animal studies indicate abaloparatide stimulates vertebral bone formation and enhances bony bridging and biomechanical stability of fracture calluses.AimsThe current study is evaluating the potential utility for abaloparatide as an adjunct therapy for spinal fusions.Material and MethodsThe effects of 14 or 28 days of daily subcutaneous injections of abaloparatide (20 μg/kg/d) or vehicle were evaluated in 32 male Sprague‐Dawley rats starting 1 day after noninstrumented posterolateral fusion (PLF) with bone autograft. Fusion mass microarchitecture was analyzed by micro‐computed tomography (micro‐CT) and serum markers of bone formation and bone resorption were evaluated. Motion segments were scored in a blinded manner as fused or unfused by postmortem radiography and manual palpation.ResultsAbaloparatide‐treated rats showed higher bone formation (serum osteocalcin) at day 14 and 28 compared with vehicle controls, without increases in the bone resorption marker serum TRACP‐5b. Micro‐CT showed greater trabecular number in fusion masses from the abaloparatide group vs vehicle controls at day 14. Manual palpation and radiography indicated no fusions in either group at day 14, whereas 25% of vehicle‐treated rats and 50% of abaloparatide‐treated rats had bilateral fusion at day 28.Discussion and ConclusionIn summary, this rat PLF model showed that abaloparatide treatment was associated with higher levels of the bone formation marker osteocalcin, improved fusion mass architecture, and a non‐ significant 2‐fold higher fusion rate compared with vehicle.
Dynamic modelling of inter‐relationship between tourism, energy consumption, CO2 emissions and economic growth in South Asia
Authors: Selvanathan Eliyathamby A. , Jayasinghe Maneka , Selvanathan Saroja 
Published: November 2020

AbstractTourism is an important economic driver and plays a critical role in the economic development of South Asian countries. However, tourism also brings about some inevitable consequences on the environmental quality of these countries. Using the Autoregressive Distributed Lags, Vector Error‐Correction Model and Panel frameworks, we investigate the inter‐relationships between tourism, energy consumption, CO2 emissions and gross domestic product (GDP) in South Asia, using data for the period 1990–2014. We find that, in the long‐run, tourism positively contributes to GDP, CO2 emissions and to the demand for energy; an increase in GDP improves tourism; and an increase in CO2 levels is not a deterrent for tourists to visit South Asia.