bluuebunny/crossref_metadata_2025_split huggingface dataset:
Neutrophils at the crossroads of innate and adaptive immunity
Authors: Rosales Carlos 
Published: March 2020

AbstractNeutrophils are the most abundant leukocytes in blood. From the circulation, they are quickly mobilized to sites of inflammation and/or infection. At the affected tissues, neutrophils display an impressive array of antimicrobial functions, including degranulation, production of reactive oxygen species (ROS), phagocytosis, and formation of neutrophil extracellular traps (NET). Because neutrophils are the first type of leukocytes to arrive at affected tissues and display potent microbicidal functions, they have been classically viewed as the first line of defense. In this view, neutrophils only destroy invading pathogens and then quietly die at the site of infection. However, in the last decade it has become increasingly evident that neutrophils are much more complex cells having not only effector functions in the innate immune response, but also the capacity of modulating the adaptive immune response, via direct interaction with, or by producing cytokines that affect dendritic cells and lymphocytes. In addition, neutrophil heterogeneity with clear different functional phenotypes has been recently described particularly in cancer and inflammation. This review provides an overview on the life of a neutrophil describing its beginnings, lifespan, and their principal functions in innate and adaptive immunity. Also, neutrophil heterogeneity and our current understanding of neutrophil contributions to health and disease are discussed.
Characterization of additives in plastics: From MS to MS10 multistep mass analysis and theoretical calculations of tris(2,4‐di‐tert‐butylphenyl)phosphate
Authors: Giorgi Gianluca , Bellani Lorenza , Giorgetti Lucia 
Published: March 2020

AbstractIn the analysis by electrospray (+) of an extract of hemp sprouts put in a polypropylene vial, we found a large contamination of a plastic additive. It was characterized by multiple‐stage MSn experiments (MS ÷ MS10) and identified as tris(2,4‐di‐tert‐butylphenyl)phosphate, also known with the synonyms F32IRS6B46, oxidized Naugard 524, and others. The MS2 ÷ MS7 spectra are characterized by consecutive eliminations of six isobutene molecules from the tert‐butyl moieties, some of them also occurring in the ion source. The first three are calculated to occur preferentially from the ortho positions, whereas eliminations from the para positions are estimated to be less favored at about 5–6 kcal/mol in each step. Once the first three isobutene molecules are eliminated, the remaining three are lost from the tert‐butyl moieties in para positions (MS5 ÷ MS7), yielding protonated triphenylphosphate, whose structure has been confirmed by the MS2 spectrum of triphenylphosphate standard: the latter spectrum is almost superimposable with the MS8 spectrum of the analyte under investigation. MS8 and MS9 spectra show main losses of water and C6H4 molecules. The MS10 spectrum of precursor ions at m/z 215 shows the gas‐phase addition of water and methanol and ions at m/z 168, attributable to the loss of a phosphorus oxide radical. Density functional theory (DFT) calculations (Becke 3LYP [B3LYP] 6‐311+G(2d,2p)) have been used to evaluate structure and stability of different ionic and neutral species involved in the decomposition pathways and to calculate thermochemical data of the decomposition reactions. This multistep mass analysis combined with theoretical calculations resulted to be particularly useful and effective, yielding chemical, thermochemical, and mechanistic data of significant utility in the structural characterization and identification of the unknown analyte as well as to define its gas‐phase reactivity under a multistep low‐energy collision‐induced dissociation regime.
New evidence for the intentional use of calomel as a white pigment
Authors: Crippa Mila , Legnaioli Stefano , Kimbriel Christine , Ricciardi Paola 
Published: March 2020

AbstractIn this work, we report the results of the in situ application of micro‐Raman spectroscopy to the analysis of two historic painted objects: a 15th‐century illuminated manuscript and a late 16th‐century portrait miniature. Both objects were unexpectedly found to contain calomel (Hg2Cl2), intentionally used as a white pigment. Calomel was a widespread and popular medicine until it fell out of use at the end of the 19th century due to its toxicity, and a material called ‘mercury white’ is referred to in 16th‐century technical literature on painting. However, although calomel has been recognised in the past as a degradation product of cinnabar in both wall and easel paintings, its deliberate use as a pigment on cultural heritage objects has only been documented recently in white areas painted on 17th‐century South American objects. The present study describes the first ever verified use of calomel as a white pigment on European works of art, both of which predate its documented use in South America.
A Phase 2a Trial Investigating the Safety and Tolerability of the Novel Cortical Enhancer IRL752 in Parkinson's Disease Dementia
Authors: Svenningsson Per , Odin Per , Dizdar Nil , Johansson Anders , Grigoriou Sotirios , Tsitsi Panagiota , Wictorin Klas , Bergquist Filip , Nyholm Dag , Rinne Juha , Hansson Fredrik , Sonesson Clas , Tedroff Joakim ,   for the IRL752 Collaborators
Published: March 2020

AbstractBackgroundIRL752 is a novel small‐molecule compound that acts to regioselectively enhance norepinephrine, dopamine, and acetylcholine neurotransmission in the cerebral cortex.ObjectiveThe primary objective of the trial was to investigate the safety and tolerability of IRL752 in patients with Parkinson's disease and dementia.MethodsPatients with Parkinson's disease and dementia were randomized to IRL752 or placebo treatment (3:1 ratio) for 28 days. The study drug was given as an adjunct treatment to the patients’ regular stable antiparkinsonian medication. Dosing was individually titrated for 14 days after which the dose was kept stable for an additional 14 days.ResultsA total of 32 patients were randomized to treatment, and 29 patients completed the 4‐week treatment. Adverse events were generally mild and transient and were mostly reported during the dose titration phase. There were 2 serious adverse events, and none of them were related to the experimental treatment. The average dose achieved in the stable dose phase was 600 mg daily, yielding a 2‐hour postdose plasma concentration of about 4 μM on day 28. Exploratory assessment of secondary outcomes indicated efficacy for symptoms and signs known to be poorly responsive to levodopa.ConclusionsIRL752 appears to be safe and well tolerated for a 4‐week treatment in patients with Parkinson's disease and dementia. © 2020 International Parkinson and Movement Disorder Society
Impact of ultrasonography on identifying noninvasive prenatal screening false‐negative aneuploidy
Authors: Li Wei , Zeng Fanwei , Fan Baitong , Yu Nan , Wu Jing , Yang Yun , Huang Hui , Li Sheng‐li , Peng Zhiyu 
Published: March 2020

AbstractBackgroundTo evaluate the impact of ultrasonography on identifying noninvasive prenatal screening (NIPS) false‐negative aneuploidy.MethodsAnalysis of large population‐based NIPS false‐negative aneuploidy data comprising karyotypes, clinical outcomes, and ultrasound results.ResultsFrom December 2010 to July 2018, a total of 3,320,457 pregnancies were screened by NIPS performed in BGI; among them, 69 NIPS false‐negative aneuploidy cases with informed consent were confirmed, and ultrasound examination data for 48 cases were not available. Of the 21 cases with ultrasound results, 19 (90.5%) had various abnormalities on ultrasound, and two (9.5%) cases were shown to be normal on ultrasound. Additionally, six of seven live‐born fetuses (approximately 85.7%) were found to have abnormalities on ultrasound. Ventricular septal defects constituted the most frequently observed ultrasound abnormality type among the 21 NIPS false‐negative aneuploidy cases.ConclusionApplication of NIPS has increased rapidly worldwide and now accounts for a large proportion of prenatal screening tests in China. This study suggests that ISUOG guideline should be followed practically, and structural abnormal ultrasound findings should not be neglected, even when NIPS produces a negative result. Combining NIPS with an ultrasound examination can further reduce the incidence of live births with aneuploidy.
Cheminformatics Analysis of Natural Product Scaffolds: Comparison of Scaffolds Produced by Animals, Plants, Fungi and Bacteria
Authors: Ertl Peter , Schuhmann Tim 
Published: March 2020

AbstractNatural products (NPs) have evolved over a very long natural selection process to form optimal interactions with biologically relevant macromolecules. NPs are therefore a very useful source of inspiration for the design of new drugs. In the present study we report the results of a cheminformatics analysis of a large database of NP structures focusing on their scaffolds. First, general differences between NP scaffolds and scaffolds from synthetic molecules are discussed, followed by a comparison of the properties of scaffolds produced by different types of organisms. Scaffolds produced by plants are the most complex and those produced by bacteria differ in many structural features from scaffolds produced by other organisms. The results presented here may be used as a guidance in selection of scaffolds for the design of novel NP‐like bioactive structures or NP‐inspired libraries.
High gain broadband stacked triangular microstrip antennas
Authors: Chopra Rinkee , Kumar Girish 
Published: March 2020

AbstractA low cost, broadband, and high gain stacked equilateral triangular microstrip antenna (ETMSA) is designed to cover the frequency band from 1700 to 2600 MHz with low cross polar level (X‐pol). The antenna consists of a metallic ETMSA at the bottom layer and three parasitically coupled ETMSAs (1B3T) are printed symmetrically on the bottom side of the top FR‐4 substrate layer, which is supported by foam inserted between the top and bottom layers. The bottom patch is shorted by a metallic via at its center. It improves the X‐pol in upper frequency band. The 1B3T ETMSA is further enclosed in a metallic cavity to improve the gain and front to back ratio (F/B). The fabricated 1B3T ETMSA provides 42.2% BW with peak gain of 10.8 dBi, F/B of more than 15.8 dB and X‐pol of less than −13.6 dB throughout the BW. The proposed antenna can be used for RF energy harvesting in 2G, 3G, 4G, and Wi‐Fi frequency bands.
Microwave imaging of breast cancer with factorization method: SPIONs as contrast agent
Authors: Coşğun Sema , Bilgin Egemen , Çayören Mehmet 
Published: March 2020

Female breast at macroscopic scale is a nonmagnetic medium, which eliminates the possibility of realizing microwave imaging of the breast cancer based on magnetic permeability variations. However, by administering functionalized, superparamagnetic iron oxide nanoparticles (SPIONs) as a contrast material to modulate magnetic permeability of cancer cells, a small variation on the scattered electric field from the breast is achievable under an external, polarizing magnetic field.PurposeWe demonstrate an imaging technique that can locate cancerous tumors inside the breast due to electric field variations caused by SPION tracers under different magnetic field intensities. Furthermore, we assess the feasibility of SPION‐enhanced microwave imaging for breast cancer with simulations performed on a multi‐static imaging configuration.MethodsThe imaging procedure is realized as the factorization method of qualitative inverse scattering theory, which is essentially a shape retrieval algorithm for inaccessible objects. The formulation is heuristically modified to accommodate the scattering parameters instead of the electric field to comply with the requirements of experimental microwave imaging systems.ResultsWith full‐wave electromagnetic simulations performed on an anthropomorphically realistic breast phantom, which is excited with a cylindrical imaging prototype of 18 dipole antenna arranged as a single row, the technique is able to locate cancerous tumors for a experimentally achievable doses.ConclusionsThe technique generates nonanatomic microwave images, which map the cancerous tumors depending on the concentration of SPION tracers, to aid the diagnosis of the breast cancer.
Cooperativity in alkane‐1,2‐ and 1,3‐polyols: NMR, QTAIM, and IQA study of O─H…OH and C─H…OH bonding interactions
Authors: Lomas John S. 
Published: March 2020

AbstractProton nuclear magnetic resonance chemical shifts and atom–atom interaction energies for alkanepolyols with 1,2‐diol and 1,3‐diol repeat units, and for their 1:1 pyridine complexes, are computed by density functional theory calculations. In the 1,3‐polyols, based on a tG'Gg' repeat unit, the only important intramolecular hydrogen bonding interactions are O─H…OH. By quantum theory of atoms in molecules analysis of the electron density, unstable bond and ring critical points are found for such interactions in 1,2‐polyols with tG'g repeat units, from butane‐1,2,3,4‐tetrol onwards and in their pyridine complexes from propane‐1,2,3‐triol onwards. Several features (OH proton shifts and charges, and interaction energies computed by the interacting quantum atoms approach) are used to monitor the dependence of cooperativity on chain length: This is much less regular in 1,2‐polyols than in 1,3‐polyols and by most criteria has a higher damping factor. Well defined C─H…OH interactions are found in butane‐1,2,3,4‐tetrol and higher members of the 1,2‐polyol series, as well as in their pyridine complexes: There is no evidence for cooperativity with O─H…OH bonding. For the 1,2‐polyols, there is a tenuous empirical relationship between the existence of a bond critical point for O─H…OH hydrogen bonding and the interaction energies of competing exchange channels, but the primary/secondary ratio is always less than unity.
Untargeted metabolomic profiling of accessory sex gland fluid from Morada Nova rams
Authors: Sousa Solange D. , Lucini Luigi , Ajmone‐Marsan Paolo , van Tilburg Maurício F. , Moura Arlindo A. 
Published: March 2020

AbstractThe present study was conducted to characterize the metabolome of accessory gland fluid (AGF) of locally adapted Morada Nova rams, raised in the Brazilian Northeast. AGF was collected by an artificial vagina from five vasectomized rams. Metabolites were identified by gas chromatography‐mass spectrometry (GC/MS) and high‐performance liquid chromatography‐mass spectrometry (LC/MS), with the support of Human Metabolome Database, PubChem, LIPID Metabolites, Pathways Strategy databases, and MetaboAnalyst platforms. There were 182 and 190 metabolites detected by GC/MS and LC/MS, respectively, with an overlap of one molecule. Lipids and lipid‐like molecules were the most abundant class of metabolites in the ram AGF (127 compounds), followed by amino acids, peptides, and analogs(103 metabolites). Considering all GC/MS and LC/MS, fructose, glycerol, citric acid, d‐mannitol, d‐glucose, and l‐(+)‐lactic acid were the most abundant single metabolites present in the ram AGF. Meaningful pathways associated with AGF metabolites included glycine, serine and threonine metabolism; pantothenate and CoA biosynthesis; galactose metabolism; glutamate metabolism and phenylalanine metabolism, and so forth. In conclusion, the combined use of LC/MS and GC/MS was essential for getting a holistic view of the compounds embedded in the ram AGF. Chemical analysis of the accessory sex gland secretion is relevant for understanding sperm function and fertilization.
Factors associated with discharge opioid prescription after hip fracture fixation
Authors: Fandino Luis B. , Bhashyam Abhiram , Harris Mitchel B. , Zhang Dafang 
Published: March 2020

AbstractObjectiveOpioid prescribing after hip fracture fixation is variable, but the factors that drive this prescribing variation are not well‐described. The purpose of this study was to determine independent factors associated with increased opioid prescription upon discharge after hip fracture fixation.MethodsA retrospective cohort study of 296 adult patients who underwent hip fracture fixation between January 2016 and December 2017 at two Level I trauma centers were included in our study. The primary outcome measurement was opioid prescription at discharge in morphine milligram equivalents (MME). Bivariate analysis was used to screen for factors, and multivariable regression analysis was used to identify independent factors associated with opioid prescription upon discharge from the hospital.ResultsDischarge opioid prescription amounts were available for 280 out of 296 patients (95%). The mean (±standard deviation) discharge opioid prescription was 212 (±319) MME. Multivariable regression analysis showed that younger age (p = 0.004), diabetes mellitus (p = 0.02), smoking (p < 0.001), treatment at hospital #2 (p < 0.001), and weekend discharge (p = 0.03) were associated with increased opioid prescription at discharge.ConclusionsIncreased opioid prescribing after hip fracture fixation is associated with patient‐ and system‐related factors. Prescriber education programs, prescription guidelines, and safe handoff practices that focus on these factors may help to decrease prescription variability and opioid overprescription across institutions.
A truly mesh‐distortion‐enabled implementation of cell‐based smoothed finite element method for incompressible fluid flows with fixed and moving boundaries
Authors: He Tao 
Published: March 2020

SummaryMesh‐free properties are part of the superiority of cell‐based smoothed finite element method (CS‐FEM), but have yet to be fully exploited for computational fluid dynamics. A novel implementation of CS‐FEM for incompressible viscous fluid flows in stationary and deforming domains discretized by severely distorted bilinear four‐node quadrilateral (Q4) elements is presented in this article. The negative determinant of the Jacobian transformation from the Cartesian coordinates to the natural coordinates is intentionally stipulated for the corresponding mesh over which FEM inevitably fails in practice. It is found that, without ad hoc modifications, CS‐FEM incurs unsatisfactory results and even a failure on fixed meshes. To cater for general computations on either a uniform or nonuniform mesh represented by these badly degenerated elements, four smoothing cells (SCs) are deployed in convex Q4 element whereas one SC in concave Q4 element. A simple hourglass control is introduced into those under‐integrated quadrilaterals for stabilizing the one‐SC quadrature in smoothed Galerkin weak form. Thanks to the adoption of characteristic‐based split (CBS) scheme for the fluid solution, a byproduct is the unfolded equivalence of the CBS stabilization and balancing tensor diffusivity under the incompressibility constraint. Several benchmark problems involving incompressible fluid flow and fluid‐structure interaction are solved. Numerical results show the good accuracy and robustness of the proposed approach that raises a seductive idea for resolving moving‐mesh problems.
Development and Validation of an Electronic Medical Record Algorithm to Identify Phenotypes of Rotator Cuff Tear
Authors: Gao Chan , Fan Run , Ayers Gregory D. , Giri Ayush , Harris Kindred , Atreya Ravi , Teixeira Pedro L. , Jain Nitin B. 
Published: March 2020

BackgroundA lack of studies with large sample sizes of patients with rotator cuff tears is a barrier to performing clinical and genomic research.ObjectiveTo develop and validate an electronic medical record (EMR)–based algorithm to identify individuals with and without rotator cuff tear.DesignWe used a deidentified version of the EMR of more than 2 million subjects. A screening algorithm was applied to classify subjects into likely rotator cuff tear and likely normal rotator cuff groups. From these subjects, 500 likely rotator cuff tear and 500 likely normal rotator cuff were randomly chosen for algorithm development. Chart review of all 1000 subjects confirmed the true phenotype of rotator cuff tear or normal rotator cuff based on magnetic resonance imaging and operative report. An algorithm was then developed based on logistic regression and validation of the algorithm was performed.ResultsThe variables significantly predicting rotator cuff tear included the number of times a Current Procedural Terminology code related to rotator cuff procedures was used (odds ratio [OR] = 3.3; 95% confidence interval [CI]: 1.6‐6.8 for ≥3 vs 0), the number of times a term related to rotator cuff lesions occurred in radiology reports (OR = 2.2; 95% CI: 1.2‐4.1 for ≥1 vs 0), and the number of times a term related to rotator cuff lesions occurred in physician notes (OR = 4.5; 95% CI: 2.2‐9.1 for 1 or 2 times vs 0). This phenotyping algorithm had a specificity of 0.89 (95% CI: 0.79‐0.95) for rotator cuff tear, area under the curve (AUC) of 0.842, and diagnostic likelihood ratios (DLRs), DLR+ and DLR− of 5.94 (95% CI: 3.07‐11.48) and 0.363 (95% CI: 0.291‐0.453).ConclusionOur informatics algorithm enables identification of cohorts of individuals with and without rotator cuff tear from an EMR‐based data set with moderate accuracy.
Contralateral prophylactic mastectomy for unilateral breast cancer in women at average risk: Systematic review of patient reported outcomes
Authors: Srethbhakdi Amilee , Brennan Meagan E. , Hamid Geaty , Flitcroft Kathy 
Published: March 2020

AbstractObjectiveThe rate of contralateral prophylactic mastectomy (CPM) in women with early, unilateral cancer is relatively high and is increasing around the world a previous study. Women choose this option for many reasons other than reducing their risk of future cancer, including symmetry, reasons related to breast reconstruction and attempting to manage fear of recurrence. This systematic review evaluated patient‐reported quality of life outcomes following CPM.MethodsA literature search of MEDLINE, PubMed and PsycINFO was performed to February 2019. Abstracts and full‐text articles were assessed for eligibility according to pre‐determined criteria. Data were extracted into evidence tables for analysis.ResultsA total of 19 articles met eligibility criteria and were included in analysis. These included patient‐reported data from 6088 women undergoing CPM. They reported high levels of satisfaction with the decision for surgery, low levels of decisional regret and high satisfaction with cosmesis and reconstruction. Breast‐specific and general quality of life was high overall but was even better in women choosing breast reconstruction after surgery. Fear of cancer recurrence was high after CPM. Depression, distress and a negative impact on body image were evident; however, levels were high in both CPM and non‐CPM groups.ConclusionsThis study provides information that can be used by surgeons and psychologists when counselling women about the potential benefits and harms of CPM. This process must include discussion about the trade‐offs such as body image issues and ongoing fear of recurrence in addition to the positive aspect of cancer risk reduction. Women are unlikely to regret their decision for CPM.