bluuebunny/crossref_metadata_2025_split huggingface dataset:
(S)‐4‐(4‐aminobenzyl)‐2‐oxazolidinone based 2‐azetidinones for antimicrobial application and luminescent sensing of divalent metal cations
Authors: Baruah Shyamal , Aier Merangmenla , Puzari Amrit 
Published: March 2020

AbstractThe impact of linezolid as an antibiotic against gram‐positive bacteria has inspired synthetic chemists to use oxazolidinones as substrate molecule in the synthesis of newer scaffolds with important pharmacological implication. The oxazolidin‐2‐ones are key intermediates in the synthesis of many interesting biologically active compounds. Design and synthesis of a new series of (S)‐4‐(4‐aminobenzyl)‐2‐oxazolidinone based multifunctional azetidinones were accomplished. Synthesis of the scaffolds was performed through a multi‐step reaction process involving protection of amine functional group, conversion of protected (S)‐4‐(4‐aminobenzyl)‐2‐oxazolidinone to its acetic acid derivative and then to acid chloride, and finally coupled with different substituted aromatic imines under mild reaction conditions in presence of an appropriate base. Structural characterization was carried out using conventional spectroscopic techniques. The compounds were screened for their antimicrobial activity against gram‐positive and gram‐negative bacteria and were found to possess better and promising antimicrobial property than some of the reported antimicrobial drugs like disulfonamide and tetracycline. Additionally, the scaffolds also exhibit prominent sensing property for divalent metal cations like Cu2+, Zn2+, and Ni2+, through fluorescence quenching effect.
N‐Hydroxy‐1,6‐methano[10]annulene‐3,4‐dicarboximide/Co(OAc)2: A novel catalytic system for the aerobic oxidation of alkylarenes
Authors: Zuo Shengli , Liu Jianjun , Zuo Ang 
Published: March 2020

AbstractAlkylbenzenes were aerobically oxidized to their oxygenated products via a novel catalytic system using N‐hydroxy‐1,6‐methano[10]annulene‐3,4‐dicarboximide (2) and cobalt(II) acetate under mild conditions. A radical mechanism has been proposed to account for the aerobic oxidation of these hydrocarbons. The 2/Co(OAc)2 catalytic system was optimized and the reaction scope was explored.
Epitope specificity of two anti‐morphine monoclonal antibodies: In vitro and in silico studies
Authors: Trofimov Alexander V. , Sokolov Alexey V. , Rak Alexandra Y. , Ischenko Alexander M. , Kudling Tatiana V. , Vakhrushev Andrey V. , Gorbunov Alexei A. 
Published: March 2020

AbstractMonoclonal antibodies (mAbs) against morphine are important in the development of immunotherapeutic and diagnostic methods for the treatment and prevention of drug addiction. By the surface plasmon resonance (SPR) and enzyme immunoassay techniques, we characterized two previously obtained mAbs 3K11 and 6G1 and showed their ability to recognize free morphine and morphine‐containing antigens in different ways because of the epitope specificity thereof. Using the defined amino acid sequences, we obtained three‐dimensional models of the variable regions of Fab fragments of these antibodies and compared them with the known sequence and spatial structure of the anti‐morphine antibody 9B1. Docking simulations are performed to obtain models of the antibodies complexes with morphine. Differences in the models of 3K11 and 6G1 complexes with morphine correlate with their experimentally detected epitope specificity. The results, in particular, can be used for the structure‐based design of the corresponding humanized antibodies. According to our modeling and docking results, the very different modes of morphine binding to mAbs 3K11 and 6G1 are qualitatively similar to those previously reported for cocaine and two anti‐cocaine antibodies. Thus, the obtained structural information brings more insight into the hapten recognition diversity.
Stability issues of RT‐PCR testing of SARS‐CoV‐2 for hospitalized patients clinically diagnosed with COVID‐19
Authors: Li Yafang , Yao Lin , Li Jiawei , Chen Lei , Song Yiyan , Cai Zhifang , Yang Chunhua 
Published: March 2020

AbstractIn this study, we collected a total of 610 hospitalized patients from Wuhan between February 2, 2020, and February 17, 2020. We reported a potentially high false negative rate of real‐time reverse‐transcriptase polymerase chain reaction (RT‐PCR) testing for SARS‐CoV‐2 in the 610 hospitalized patients clinically diagnosed with COVID‐19 during the 2019 outbreak. We also found that the RT‐PCR results from several tests at different points were variable from the same patients during the course of diagnosis and treatment of these patients. Our results indicate that in addition to the emphasis on RT‐PCR testing, clinical indicators such as computed tomography images should also be used not only for diagnosis and treatment but also for isolation, recovery/discharge, and transferring for hospitalized patients clinically diagnosed with COVID‐19 during the current epidemic. These results suggested the urgent needs for the standard of procedures of sampling from different anatomic sites, sample transportation, optimization of RT‐PCR, serology diagnosis/screening for SARS‐CoV‐2 infection, and distinct diagnosis from other respiratory diseases such as fluenza infections as well.
Prevalence of EBV, CMV, and HPV in oral squamous cell carcinoma patients in the Pakistani population
Authors: Naqvi Syeda Uzma , Khan Saeed , Ahmed Ayaz , Lail Amanullah , Gul Saima , Ahmed Sagheer 
Published: March 2020

AbstractMany studies have proposed an important role of viruses in the pathogenesis of oral cancer. The present study aimed to find out the prevalence of Epstein‐Barr virus (EBV), cytomegalovirus (CMV), and human papillomavirus (HPV) among patients with oral squamous cell carcinoma (OSCC) in a Pakistani cohort. We investigated tissue samples obtained from 58 patients with OSCC using the polymerase chain reaction assay. No sample was positive for HPV. EBV was identified in 15 patients (25.86%), and CMV in three patients (5.17%). Coinfection with one or more viruses was detected in two cases and was coinfection with EBV and CMV. These results suggest a low prevalence of these viruses in OSCC patients in the Pakistani population compared to most other countries where the prevalence of these viruses has been reported in the past. Nevertheless, further studies are necessary to determine the potential role of EBV and the possible importance of CMV as an infection cofactor in oral cancer.
Preferential Partitioning of Rumen‐Protected n‐3 and n‐6 Fatty Acids into Functionally Different Adipose Tissues
Authors: Wolf Christina , Gredig Nicole , Kreuzer Michael , Ulbrich Susanne E. , Berard Joël , Giller Katrin 
Published: March 2020

AbstractLipids are stored at various sites inside the body as adipose tissue (AT). These include subcutaneous, abdominal, and intermuscular locations. The AT substantially differ in their metabolic function. It is, however, unclear whether AT have specific requirements for individual essential n‐3 and n‐6 fatty acids (FA). If so, control mechanisms would partition FA from the blood. To investigate the hypothesis of a selective FA incorporation, 18 beef heifers were fed diets supplemented with 60 g/kg diet with lipids from either fish oil (FO) or sunflower oil (SO). The lipids had partially been rumen‐protected to ruminal biohydrogenation of n‐3 and n‐6 FA. The AT analyzed for n‐3 and n‐6 FA by gas chromatography were obtained from pericardial, longissimus thoracis (LT) intermuscular, perirenal, and subcutaneous sites. The greatest proportions of n‐3 and n‐6 FA were found in the pericardial AT. Despite generally low abundance, n‐3 FA proportions increased with FO compared to SO supplementation in all AT, but to a different extent. No such partitioning was found for the n‐6 FA when supplementing SO. Concomitantly, the n‐6/n‐3 FA ratio was reduced with FO in all AT, except in the pericardial AT. The latter has specific metabolic functions and thus appears to be quite resistant to diet‐induced changes in FA profile in order to maintain its function. The present findings showed the special role of specific n‐3 and n‐6 FA in bovine AT.
Phospholipid turnover rates suggest that bacterial community growth rates in the open ocean are systematically underestimated
Authors: Popendorf Kimberly J. , Koblížek Michal , Van Mooy Benjamin A. S. 
Published: March 2020

AbstractHeterotrophic bacteria in the surface ocean play a critical role in the global carbon cycle and the magnitude of this role depends on their growth rates. Although methods for determining bacterial community growth rates based on incorporation of radiolabeled thymidine and leucine are widely accepted, they are based on a number of assumptions and simplifications. We sought to independently assess these methods by comparing bacterial growth rates to turnover rates of bacterial membranes using previously published methods in a range of open‐ocean settings. We found that turnover rates for heterotrophic bacterial phospholipids averaged 0.80 ± 0.35 d−1. This was supported by independent measurements of turnover rates of a membrane‐bound pigment in photoheterotrophic bacteria, bacteriochlorophyll a (0.85 ± 0.09 d−1). By contrast, bacterial growth rates measured by uptake of radiolabeled thymidine and leucine were 0.12 ± 0.08 d−1, well within the range expected from the literature. We explored whether the discrepancies between phospholipid turnover rates and bacterial growth rate could be explained by membrane recycling/remodeling and other factors, but were left to conclude that the radiolabeled thymidine and leucine incorporation methods substantially underestimated actual bacterial growth rates. We use a simple model to show that the faster bacterial growth rates we observed can be accommodated within the constraints of the microbial carbon budget if bacteria are smaller than currently thought, grow with greater efficiency, or some combination of these two factors.
Factor Analysis and Clustering of the Movement Disorder Society–Non‐Motor Rating Scale
Authors: Martinez‐Martin Pablo , Rojo‐Abuín Jose Manuel , Weintraub Daniel , Chaudhuri Kallol Ray , Rodriguez‐Blázquez Carmen , Rizos Alexandra , Schrag Anette 
Published: March 2020

AbstractBackgroundThe primary validation of the Movement Disorder Society Non‐Motor Rating Scale was recently published, but 2 important structural analyses were not included. The objective of this study was to examine the structural characteristics of the Movement Disorder Society Non‐Motor Rating Scale by factor and cluster analyses.MethodsData came from the validation study, an international multicenter cross‐sectional study of 402 Parkinson's disease patients. Demographic and clinical data, the Movement Disorder Society Non‐Motor Rating Scale, and Hoehn and Yahr staging were used. Exploratory and confirmatory factor analysis and nonhierarchical cluster analysis were performed.ResultsThe exploratory factor analysis showed that all 13 domains of the Movement Disorder Society Non‐Motor Rating Scale, except 1, and the Non‐Motor Fluctuations subscale performed as unidimensional (variance explained: 0.36, sleep and wakefulness; −0.82, orthostatic hypotension). The confirmatory factor analysis could be carried out in 9 domains and showed that 6 of them and the Non‐Motor Fluctuations subscale adjusted to the model satisfactorily according to the root mean square error of approximation. Furthermore, all domains had comparative fit index values >0.95, except depression and pain (both, 0.94) and sleep and wakefulness (0.90). The Non‐Motor Fluctuations subscale showed satisfactory root mean square error of approximation (0.07), but a low comparative fit index value (0.91). A 5‐cluster solution, correctly classifying 96% of the cases, was found.ConclusionsOverall, most subscales of the Movement Disorder Society Non‐Motor Rating Scale are unidimensional, and although each subscale is distinct in terms of content covered, factors and clusters that are of clinical relevance are discernible and contribute to our understanding of possible nonmotor subtypes in Parkinson's disease. © 2020 International Parkinson and Movement Disorder Society
Hypoplastic and viscohypoplastic models for soft clays with strength anisotropy
Authors: Jerman Jan , Mašín David 
Published: March 2020

SummaryThis paper presents a new viscohypoplastic model for soft clays accounting for their typical features—strength anisotropy and rate dependency. The model is based on the hypoplastic model for clays enhanced by the anisotropic shape of the asymptotic state boundary surface. It has been shown that if the surface is skewed, the model predicts different ultimate strength in compression and in extension. Additional enhancement makes the tensor L bilinear in the strain rate, which more realistically predicts the stress paths ofK0consolidated samples. The new model has been evaluated by simulating laboratory experiments on soft marine clays (Singapore and Bangkok clays). The model can be easily calibrated using only undrained triaxial and odometer tests. The model is subsequently enhanced by the rate effects. The resulting viscohypoplastic model has been evaluated using experiments of remolded kaolin clay and St. Herblain clay. It is shown that the enhanced model can predict important features of soil viscous behavior, such as rate dependency of strength and preconsolidation pressure, relaxation, and creep.
Active and Passive Optical Fiber Metrology for Detonation Velocity Measurements
Authors: Quaresma Joana , Deimling Lukas , Campos Jose , Mendes Ricardo 
Published: March 2020

AbstractThe reaction rate of an explosive – also called detonation velocity – is the easiest parameter to measure, and also one of the most important in characterizing the process of detonation front propagation in a 1D approach. This paper presents some peculiarities that were observed during the testing of our passive/active optical methods to measure detonation velocity. Both methods were tested using bare optic fiber probes and optic fiber probes protected with a stainless steel tube. The active optical method uses a laser with a wavelength of 660 nm, and the recording system contains a window filter that blocks any radiation outside the wavelength range of 650 to 665 nm. A plastic‐bonded explosive based on PETN (seismoplast) was used to test both experimental methods. For rectangular cross‐section charges using the passive optical method with the two different probes, the detonation velocities obtained ranged from 7233 to 7324 m/s, with standard deviations between 1.1 and 6.0 %; for the active optical method, the experimental results for detonation velocity varied between 7261 and 7351 and were obtained with a standard deviation of 0.6 to 1.7 %.
Burden‐of‐illness vaccine efficacy
Authors: Callegaro Andrea , Curran Desmond , Matthews Sean 
Published: March 2020

SummaryIn recent years, many vaccines have been developed for the prevention of a variety of diseases. Although the primary objective of vaccination is to prevent disease, vaccination can also reduce the severity of disease in those individuals who develop breakthrough disease. Observations of apparent mitigation of breakthrough disease in vaccine recipients have been reported for a number of vaccine‐preventable diseases such as Herpes Zoster, Influenza, Rotavirus, and Pertussis. The burden‐of‐illness (BOI) score was developed to incorporate the incidence of disease as well as the severity and duration of disease. A severity‐of‐illness score S > 0 is assigned to individuals who develop disease and a score of 0 is assigned to uninfected individuals. In this article, we derive the vaccine efficacy statistic (which is the standard statistic for presenting efficacy outcomes in vaccine clinical trials) based on BOI scores, and we extend the method to adjust for baseline covariates. Also, we illustrate it with data from a clinical trial in which the efficacy of a Herpes Zoster vaccine was evaluated.
Islanded DC Microgrid Architecture with Dual Active Bridge Converter‐Based Power Management Units and Time Slot‐Based Control Interface
Authors: Chowdhury Dhiman , Hasan A. S. M. Khalid , Khan Md. Ziaur Rahman 
Published: March 2020

AbstractThis article presents an efficient design architecture of an islanded and scalable DC microgrid comprising several power management units (PMUs) and a time slot‐based control interface. There are two primary sections in this manuscript—performance analysis of a microgrid design with phase shift modulation (PSM)‐controlled dual active bridge (DAB) converter‐based PMUs to charge Li‐ion battery energy systems and design of a time slot‐based control scheme to regulate the operation of PMUs for future applications. The batteries can act as the power sources in home energy management systems, transactive energy systems and so on. The PMUs are connected in parallel to a capacitive bus, which is supplied power by a photovoltaic (PV) energy source. There is a maximum power point tracking (MPPT) control block, which is constituted by a perturb and observe (P & O) algorithm and boost converter average model. For performance evaluations, the DAB‐based microgrid design is developed and tested in MATLAB/Simulink [textregistered]. In the second section, the control interface design is illustrated and explained with the constituent algorithms. © 2020 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.
Supervised Human-Guided Data Exploration
Authors: Oikarinen Emilia , Puolamäki Kai , Khoshrou Samaneh , Pechenizkiy Mykola 
Published: March 2020

Abstract
An exploratory data analysis system should be aware of what a user already knows and what the user wants to know of the data. Otherwise it is impossible to provide the user with truly informative and useful views of the data. In our recently introduced framework for human-guided data exploration (Puolamäki et al. [20]), both the user’s knowledge and objectives are modelled as distributions over data, parametrised by tile constraints. This makes it possible to show the users the most informative views given their current knowledge and objectives. Often the data, however, comes with a class label and the user is interested only of the features informative related to the class. In non-interactive settings there exist dimensionality reduction methods, such as supervised PCA (Barshan et al. [1]), to make such visualisations, but no such method takes the user’s knowledge or objectives into account. Here, we formulate an information criterion for supervised human-guided data exploration to find the most informative views about the class structure of the data by taking both the user’s current knowledge and objectives into account. We study experimentally the scalability of our method for interactive use, and stability with respect to the size of the class of interest. We show that our method gives understandable and useful results when analysing real-world datasets, and a comparison to SPCA demonstrates the effect of the user’s background knowledge. The implementation will be released as an open source software library.
The effect of cutting tool coating on the form and dimensional errors of machined holes in GLARE® fibre metal laminates
Authors: Giasin K. , Hawxwell J. , Sinke J. , Dhakal H. , Köklü U. , Brousseau E. 
Published: March 2020

AbstractFibre metal laminates (FMLs) are multilayered metal composite materials currently used in aeronautical structures, especially where fatigue and impact resistance are required. FMLs are produced in large panels and often require assembly using the drilling process for riveting purposes. Hole making is a critical machining process in the joining and assembly of aeronautical components, which has to meet stringent tolerance requirements. This paper reports a systematic analysis of hole integrity when drilling an FML known as GLARE®. In particular, the primary objective is to investigate the impact of three different drill coatings (TiAlN, TiN and AlTiN/TiAlN), against several important hole parameters: thrust force, hole size, circularity, cylindricity and perpendicularity. The results show that TiAlN-coated drills produced the highest thrust force, while TiN-coated drills produced holes with the lowest deviation between the hole diameter measured at the entry and the exit and that the drill coating was the most influential parameter for the resulting hole size. TiAlN-coated drills resulted in the highest circularity at the upper part of the hole, while hole cylindricity tended to be best when using AlTiN/TiAlN- and TiN-coated drills. The ANOVA analysis shows that the drill coating and the spindle speed had a significant influence on hole size and circularity, while drill coating was the only influential parameter on hole cylindricity, and spindle speed was the only contributing parameter on hole perpendicularity. Finally, scanning electron microscopy analyses showed two distinct hole wall surface damage phenomenon due to broken fibres and evacuated metallic chips.
The lexicographic method in preference theory
Authors: Mandler Michael 
Published: March 2020

AbstractLexicographically ordered sets of binary criteria provide a uniform measure of how concisely a preference can be represented and how efficiently an agent can make decisions. This measure leads to: (1) sharper conclusions about which preferences are easy to represent than the economics test of checking if a preference has a utility representation, (2) a generalization of the classical result that a preference has a utility representation if and only if it has a countable order-dense subset. Lexicographically ordered binary criteria can also generate preferences that strictly order every pair of bundles in $${\mathbb {R}}^{n}$$

R

n

and have utility representations, thus reconciling utility theory with behavioral theories that rule out indifference. Finally, the lexicographic method provides simple proofs that transitive orders can be extended to linear orders.
Calretinin is a novel candidate marker for adverse ovarian effects of early life exposure to mixtures of endocrine disruptors in the rat
Authors: Johansson Hanna Katarina Lilith , Svingen Terje , Boberg Julie , Fowler Paul A. , Stead David , Vinggaard Anne Marie , Filis Panagiotis 
Published: March 2020

AbstractDisruption of sensitive stages of ovary development during fetal and perinatal life can have severe and life-long consequences for a woman’s reproductive life. Exposure to endocrine disrupting chemicals may affect ovarian development, leading to subsequent reproductive disorders. Here, we investigated the effect of early life exposure to defined mixtures of human-relevant endocrine disrupting chemicals on the rat ovary. We aimed to identify molecular events involved in pathogenesis of ovarian dysgenesis syndrome that have potential for future adverse outcome pathway development. We therefore focused on the ovarian proteome. Rats were exposed to a mixture of phthalates, pesticides, UV-filters, bisphenol A, butyl-paraben, and paracetamol during gestation and lactation. The chemicals were tested together or in subgroups of chemicals with anti-androgenic or estrogenic potentials at doses 450-times human exposure. Paracetamol was tested separately, at a dose of 360 mg/kg. Using shotgun proteomics on ovaries from pup day 17 offspring, we observed exposure effects on the proteomes. Nine proteins were affected in more than one exposure group and of these, we conclude that calretinin is a potential key event biomarker of early endocrine disruption in the ovary.