bluuebunny/crossref_metadata_2025_split huggingface dataset:
Use of organogel‐based emulsions (o/w) as a tool to increase the bioaccessibility of lupeol, curcumin, and quercetin
Authors: Rocha‐Guzmán Nuria Elizabeth , Cháirez‐Ramírez Manuel Humberto , Pérez‐Martínez Jamie David , Rosas‐Flores Walfred , Ornelas‐Paz José de Jesús , Moreno‐Jiménez Martha Rocio , González‐Laredo Rubén Francisco , Gallegos‐Infante Jose Alberto 
Published: August 2021

AbstractLupeol, curcumin, and quercetin are naturally occurring compounds present in plants, with some beneficial health effects. In the present study, organogel‐based emulsions (o/w) were obtained from edible oils to increase their bioaccessibility and intestinal permeability. Particle size analysis, rheology test, optical microscopy, in vitro digestibility, and permeability of nutraceuticals by cell culture and UPLC‐MS/MS were performed. Particle hydrodynamic diameters obtained in organogel‐based emulsions loaded with nutraceuticals were <200 nm, polydispersity index was around 0.25–0.4, and zeta potential was about −19 to −25 mV. Droplets in emulsions presented spherical shapes and adjusted to the Herschel–Bulkley model. Interestingly, bioaccessibility and intestinal permeability of lupeol was increased compared with its crystalline form, opposite to the observed for curcumin and quercetin; therefore, organogel‐based emulsions loaded with lupeol have potential for controlled oral delivery of this nutraceutical.
Effects of sample thickness on the combustion and smoke characteristics of chlorinated polyvinyl chloride
Authors: Li Ang , Huang Biqing , Wu Hongmei , Zhang Wenlong , Zhou Ru , Ding Yanming 
Published: August 2021

AbstractChlorinated polyvinyl chloride (CPVC), as an important engineering plastic, its combustion and smoke characteristics were studied based on different thicknesses using cone calorimeter. The main combustion parameters including thermal thickness, ignition time, mass loss rate (MLR), heat release rate (HRR), fire performance index (FPI), fire growth index (FGI), smoke production rate (SPR), and CO/CO2 were discussed. Results show that the thermal thickness increases with the decrease of external heat flux. The first or second peaks of MLR and HRR curves based on three thicknesses have a good linear relationship with the external heat flux. The heat of gasification is estimated as 8.09 kJ/g according to slope by the first and second MLR curves as a function of the external heat flux. The calculation results of effective heat of combustion show that thickness can affect the heat release during combustion. In addition, the positive correlation between the first peak SPR and the first peak HRR not only indicates that CPVC is a combustible material, but also shows there is a correlation between the heat release and smoke emission of CPVC during combustion.
Analysis of histamine and sisomicin in gentamicin: Search for the causative agents of adverse effects
Authors: Wohlfart Jonas , Holzgrabe Ulrike 
Published: August 2021

AbstractIn 1998, the aminoglycoside antibiotic gentamicin sulfate caused several cases of deaths in the United States, after the switch from twice‐ to once‐daily application. Endotoxins were discussed as the cause for the adverse effects and sisomicin was identified as the lead impurity; batches containing sisomicin were contaminated with more impurities and were responsible for the fatalities. In 2016, anaphylactic reactions in horses, and later in humans with one fatality, were observed after application of gentamicin sulfate contaminated with histamine. To determine whether histamine was responsible for the 1990s death cases as well, histamine was quantified by means of liquid chromatography–tandem mass spectrometry (LC‐MS/MS) in 30 samples of gentamicin sulfate analyzed in previous studies. Furthermore, a relative quantification of sisomicin was performed to check for a correlation between histamine and the lead impurity. A maximum amount of 11.52 ppm histamine was detected, which is below the limit for anaphylactic reactions of 16 ppm, and no correlation of the two impurities was observed. However, the European Medicines Agency recommends a stricter limit with regard to the maximum single dose of gentamicin sulfate to reach a greater gap between the maximum histamine exposition of 4.3 µg and the quantity known to cause hypotension of 7 µg. The low amounts of histamine and the fact that there is no connection with the contamination with sisomicin showed that histamine was not the cause for the death cases in the United States in 1998, and endotoxins remain the most probable explanation.
Classification and analysis of PubPeer comments: How a web journal club is used
Authors: Ortega José Luis 
Published: August 2021

AbstractThis study explores the use of PubPeer by the scholarly community, to understand the issues discussed in an online journal club, the disciplines most commented on, and the characteristics of the most prolific users. A sample of 39,985 posts about 24,779 publications were extracted from PubPeer in 2019 and 2020. These comments were divided into seven categories according to their degree of seriousness (Positive review, Critical review, Lack of information, Honest errors, Methodological flaws, Publishing fraud, and Manipulation). The results show that more than two‐thirds of comments are posted to report some type of misconduct, mainly about image manipulation. These comments generate most discussion and take longer to be posted. By discipline, Health Sciences and Life Sciences are the most discussed research areas. The results also reveal “super commenters,” users who access the platform to systematically review publications. The study ends by discussing how various disciplines use the site for different purposes.
Gram‐Scale Production of Photothermally Active Tetrahedrite Nanoparticles for Solar‐Driven Water Evaporation
Authors: Regulacio Michelle D. , Heng Jerry Z. X. , Toh Yongming , Tang Karen Yuanting , Lin Ming , Ye Enyi 
Published: August 2021

AbstractPristine and substituted tetrahedrite nanoparticles have shown immense potential as low‐cost and sustainable materials for energy conversion applications. However, the commonly used synthetic methods for their production are cumbersome and are not easily scalable. In this work, we report a facile colloidal synthetic protocol for the preparation of phase‐pure samples of pristine (Cu12Sb4S13) and Zn‐substituted (Cu11ZnSb4S13) tetrahedrite nanoparticles on the gram scale. Both tetrahedrite compositions were found to be photothermally responsive, enabling their use in solar‐driven water evaporation.
Quantification of per‐ and polyfluoroalkyl substances with a modified total organic carbon analyzer and ion chromatography
Authors: Wang Junli , Abusallout Ibrahim , Song Mingrui , Marfil‐Vega Ruth , Hanigan David 
Published: August 2021

AbstractQuantification of per‐ and polyfluoroalkyl substances (PFAS) via mass spectrometry is highly sensitive but targets a limited number of compounds and the instrumentation is not available in many laboratories. We developed a methodology to determine total organofluorine by modifying a total organic carbon analyzer, which is common in laboratories across disciplines. Evolved hydrogen fluoride was captured in an impinger and analyzed by ion chromatography. Recovery of fluorine from 20 PFAS was dependent on terminal functional group and alkyl chain length. The method detection limit based on perfluorooctanoic acid (PFOA) spiked samples was 36 μg‐F/L (52 μg PFOA/L). Fluorine recoveries of spiked PFAS in river water and wastewater were similar to those spiked in deionized water. The recovery of inorganic fluorine present in sodium fluoride was 91%. Therefore, researchers should be cautious when applying methods that pre‐combust samples to differentiate organo‐ and inorganic fluorine, because the combustion process may cause inadvertent losses of inorganic fluorine, resulting in an overestimation of organofluorine.Article Impact StatementResults enable the quantification of per‐ and polyfluoroalkyl substances using equipment present in a greater number of laboratories than mass spectrometry‐based methods.
Supervised Learning of Synthetic Big Data for Li‐Ion Battery Degradation Diagnosis
Authors: Mayilvahanan Karthik S. , Takeuchi Kenneth J. , Takeuchi Esther S. , Marschilok Amy C. , West Alan C. 
Published: August 2021

AbstractModels to understand and predict degradation can play a key role in improving the utility of Li‐ion batteries. While classical mechanistic models can describe the complex physics of degradation, more recently, data‐driven machine learning models have been increasingly utilized for state estimation and lifetime prediction. In this study, the physical grounding of mechanistic models is combined with the power of machine learning via the analysis of published synthetic low rate charge curves generated by a mechanistic model for different thermodynamic degradation modes. The analysis is applied to LFP, NMC, and NCA cells. A step‐by‐step procedure for developing interpretable machine learning models, including data set splitting, featurization, and model fitting for regression and classification tasks is outlined. Random forest regressors trained on features from incremental capacity analysis of the low rate charge curves can estimate degradation modes with a root mean squared error of 5 %. Further discussion is provided on what can be learned about feature importances, and these leanings are cross‐checked with expert defined features.
Einsatz kontinuierlicher faseroptischer Sensoren zum Monitoring von Bestandsbrücken
Authors: Novák Balthasar , Stein Franziska , Reinhard Jochen , Dudonu Andrian 
Published: August 2021

AbstractHinsichtlich der alternden Infrastruktur und fehlender Kapazitäten für Instandsetzungen und Neubauten werden aktuell und in Zukunft Maßnahmen notwendig, die Nutzungsdauer von Infrastrukturbauwerken mit rechnerischen und baulichen Defiziten zu verlängern. Ein Ansatz hierfür ist der Einsatz von Monitoringsystemen zur Zustandsüberwachung des Tragwerks und frühen Schadensdetektion. Durch Weiterentwicklungen der faseroptischbasierten Überwachungsmethoden besteht nach aktuellem Stand der Technik die Möglichkeit, Brückenbauwerke über die gesamte Bauwerkslänge mit faseroptischen Dehnmesskabeln zu überwachen. An der Universität Stuttgart wurden hierfür in enger Kooperation mit dem Ingenieurbüro Schömig‐Plan, Kleinostheim/Stuttgart Oberflächenapplikationen für die Anwendung kontinuierlicher Dehnmessfasern als Dauermonitoring zur Rissdetektion und Rissüberwachung an Bestandsbrücken in Massivbauweise untersucht, in Feldversuchen unter praxisrelevanten Randbedingungen installiert und die Leistungsfähigkeit getestet.
Nonparametric estimation of recursive point processes with application to mumps in Pennsylvania
Authors: Kaplan Andrew , Park Junhyung , Kresin Conor , Schoenberg Frederic 
Published: August 2021

AbstractThe self‐exciting Hawkes point process model (Hawkes, 1971) has been used to describe and forecast communicable diseases. A variant of the Hawkes model, called the recursive model, was proposed by Schoenberg et al. (2019) and has been shown to fit well to various epidemic disease datasets. Unlike the Hawkes model, the recursive model allows the productivity to vary as the overall rate of incidence of the disease varies. Here, we extend the data‐driven nonparametric expectation‐maximization method of Marsan and Lengliné (2008) in order to fit the recursive model without assuming a particular functional form for the productivity. The nonparametric recursive model is trained to fit to weekly reported cases of mumps in Pennsylvania during the January 1970–September 1990 time frame and then assessed using one week forecasts for the October 1990–December 2001 time period. Both its training and predictive ability are evaluated compared to that of other candidate models, such as Hawkes and SVEILR (susceptible, vaccinated, exposed, infected, lightly infected, recovered) compartmental models.
Malic enzyme 2 promotes the progression of hepatocellular carcinoma via increasing triglyceride production
Authors: Zhang Shuai , Cheng Zhi‐Mei , Yu Jia‐LI , Lu Kai , Xu Sheng‐Jie , Lu Yuan , Liu Ting , Xia Bai‐Juan , Huang Zhi , Zhao Xu‐Ya , He Wei , Li Jun‐Xiang , Cao Wei , Huang Yu , Wang Ling , Zeng Zhu , Zou Xun , Liu Rong , Zhang Yu‐Sui , Wu Xiao‐Ping , Jiang Tian‐Peng , Zhou Shi 
Published: August 2021

AbstractThe incidence and mortality of hepatocellular carcinoma (HCC) are gradually increasing during the past years. Recently, some studies have reported that malic enzyme (ME) plays an important role in cancer development, while the involvement of ME2 in HCC remains still undetermined. Here, we demonstrated that ME2 played an oncogenic role in HCC. ME2 was overexpressed in HCC tissues. TCGA database showed that the ME2 transcript level was inversely associated with the survival of HCC patients. Loss‐of‐function and gain‐of‐function assays showed that ME2 promoted HCC cell growth and migration. Furthermore, the xenografted tumorigenesis of MHCC97H cells was retarded by ME2 knockdown. ME2 silencing also suppressed the cell cycle process and induced apoptosis. Mechanistically, ME2 potentiated triglyceride synthesis, inhibition of which suppressed the proliferation and migration. We propose that ME2 promotes HCC progression by increasing triglyceride production.
COVID‐19 was found in a patient's cerebrospinal fluid who presented with a severe form of Guillain‐Barre syndrome; A successful Sudanese story: Case report
Authors: Ibrahim Etedal Ahmed A. , Mohamed Ahmed Khabab Abbasher Hussien , Salah Elmuntasir Taha , Omer Mohammed Eltahier Abdalla 
Published: August 2021

AbstractCOVID‐19 is a mysterious disease presented in different ways, so we have to deal with each patient nowadays thoroughly, including COVID‐19 testing as routine test. The Case report discusses the rare finding of COVID‐19 in CSF of GBS patient.
Rare clinical presentations of hyper‐IgE syndrome in a patient with dental abnormalities: A case report
Authors: Heidarzadeh Arani Marzieh , Ramezanali Yakhchali Atena , Gharagozlou Mohammad , Darougar Sepideh , Chavoshzadeh Zahra , Jamee Mahnaz , Motedayyen Hossein 
Published: August 2021

AbstractAsthma and anaphylaxis are two atypical presentations of hyper‐IgE syndrome (HIES). Early diagnosis and management of HIES can improve quality of life of patients through minimizing orthodontic problems and other complications related to this disorder.
Convenient and Reusable Manganese‐Based Nanocatalyst for Amination of Alcohols
Authors: Subaramanian Murugan , Ramar Palmurukan M. , Sivakumar Ganesan , Kadam Ravishankar G. , Petr Martin , Zboril Radek , Gawande Manoj B. , Balaraman Ekambaram 
Published: August 2021

AbstractThe development of new sustainable nanocatalytic systems for green chemical synthesis is a growing area in chemical science. Herein, a reusable heterogeneous N‐doped graphene‐based manganese nanocatalyst (Mn@NrGO) for selective N‐alkylation of amines with alcohols is described. Mechanistic studies illustrate that the catalytic reaction follows a domino dehydrogenation‐condensation‐hydrogenation sequence of alcohols and amines with the formation of water as the sole by‐product. The scope of the reaction is extended to the synthesis of pharmaceutically important N‐alkylated amine intermediates. The heterogeneous nature of the catalyst made it easy to separate for long‐term performance, and the recycling study revealed that the catalyst was robust and retained its activity after several recycling experiments.
Dirhodium Carboxylate Catalysts from 2‐Fenchyloxy or 2‐Menthyloxy Arylacetic Acids: Enantioselective C−H Insertion, Aromatic Addition and Oxonium Ylide Formation/Rearrangement
Authors: Buckley Aoife M. , Crowley Daniel C. , Brouder Thomas A. , Ford Alan , Rao Khandavilli U. B. , Lawrence Simon E. , Maguire Anita R. 
Published: August 2021

AbstractA new class of dirhodium carboxylate catalysts have been designed and synthesized from 2‐fenchyloxy or 2‐menthyloxy arylacetic acids which display excellent enantioselectivity across a range of transformations of α‐diazocarbonyl compounds. The catalysts were successfully applied to enantioselective C−H insertion reactions of aryldiazoacetates and α‐diazo‐β‐oxosulfones affording the respective products in up to 93 % ee with excellent trans diastereoselectivity in most cases. Furthermore, efficient desymmetrization in an intramolecular C−H insertion was achieved. In addition, these catalysts prove highly enantioselective for intramolecular aromatic addition with up to 88 % ee, and oxonium ylide formation and rearrangement with up to 74 % ee.
Alkali Metal Complexes of a Bis(diphenylphosphino)methane Functionalized Amidinate Ligand: Synthesis and Luminescence
Authors: Zovko Christina , Schoo Christoph , Feuerstein Thomas J. , Münzfeld Luca , Knöfel Nicolai D. , Lebedkin Sergei , Kappes Manfred M. , Roesky Peter W. 
Published: August 2021

AbstractA novel bis(diphenylphosphino)methane (DPPM) functionalized amidine ligand (DPPM−C(N‐Dipp)2H) (Dipp=2,6‐diisopropylphenyl) was synthesized. Subsequent deprotonation with suitable alkali metal bases resulted in the corresponding complexes [M{DPPM−C(N‐Dipp)2}(Ln)] (M=Li, Na, K, Rb, Cs; L=thf, Et2O). The alkali metal complexes form monomeric species in the solid state, exhibiting intramolecular metal‐π‐interactions. In addition, a caesium derivative [Cs{PPh2CH2‐C(N‐Dipp)2}]6 was obtained by cleavage of a diphenylphosphino moiety, forming an unusual six‐membered ring structure in the solid state. All complexes were fully characterized by single crystal X‐ray diffraction, NMR spectroscopy, IR spectroscopy as well as elemental analysis. Furthermore, the photoluminescent properties of the complexes were thoroughly investigated, revealing differences in emission with regards to the respective alkali metal. Interestingly, the hexanuclear [Cs{PPh2CH2‐C(N‐Dipp)2}]6 metallocycle exhibits a blue emission in the solid state, which is significantly red‐shifted at low temperatures. The bifunctional design of the ligand, featuring orthogonal donor atoms (N vs. P) and a high steric demand, is highly promising for the construction of advanced metal and main group complexes.
Risk of prostate cancer for men with prior negative biopsies undergoing magnetic resonance imaging compared with biopsy‐naive men: A prospective evaluation of the PLUM cohort
Authors: Patel Hiten D. , Koehne Elizabeth L. , Shea Steven M. , Bhanji Yasin , Gerena Marielia , Gorbonos Alex , Quek Marcus L. , Flanigan Robert C. , Goldberg Ari , Gupta Gopal N. 
Published: August 2021

BackgroundMen with prior negative prostate biopsies have a lower risk of being diagnosed with prostate cancer in comparison with biopsy‐naive men. However, the relative clinical utility of identified lesions on multiparametric magnetic resonance imaging (mpMRI) is uncertain between the 2 settings.MethodsPatients from the Prospective Loyola University mpMRI (PLUM) Prostate Biopsy Cohort (January 2015 to June 2020) were examined. The detection of any prostate cancer and clinically significant prostate cancer (Gleason score ≥ 3 + 4) was stratified by Prostate Imaging–Reporting and Data System (PI‐RADS) scores in the prior negative and biopsy‐naive settings. Multivariable logistic regression models (PLUM models) assessed predictors, and decision curve analyses were used to estimate the clinical utility of PI‐RADS cutoffs relative to the models.ResultsNine hundred men (420 prior negative patients and 480 biopsy‐naive patients) were included. Prior negative patients had lower risks of any prostate cancer (27.9% vs 54.4%) and clinically significant prostate cancer (20.0% vs 38.3%) in comparison with biopsy‐naive patients, and this persisted when they were stratified by PI‐RADS (eg, PI‐RADS 3: 13.6% vs 27.4% [any prostate cancer] and 5.2% vs 15.4% [clinically significant prostate cancer]). The rate of detection of clinically significant prostate cancer was 5.3% among men with prior negative biopsy and PI‐RADS ≤ 3. Family history and Asian ancestry were significant predictors among biopsy‐naive patients. PLUM models demonstrated a greater net benefit and reduction in biopsies (45.8%) without missing clinically significant cancer in comparison with PI‐RADS cutoffs (PI‐RADS 4: 34.0%).ConclusionsPatients with prior negative biopsies had lower prostate cancer detection by PI‐RADS score category in comparison with biopsy‐naive men. Decision curve analyses suggested that many biopsies could be avoided by the use of the PLUM models or a PI‐RADS 4 cutoff without any clinically significant cancer being missed.Lay Summary

Men with a prior negative prostate biopsy had a lower risk of harboring prostate cancer in comparison with those who never had a biopsy.

This was true even when patients in each group had similar multiparametric magnetic resonance imaging (mpMRI) findings in terms of Prostate Imaging–Reporting and Data System (PI‐RADS)–graded lesions.

Decision curve analyses showed that many biopsies could be avoided by the use of the Prospective Loyola University mpMRI prediction models or a PI‐RADS 4 cutoff for patients with prior negative biopsies.
Methodologies for Measuring Protein Trafficking across Cellular Membranes
Authors: Lyu Ziqi , Genereux Joseph C. 
Published: August 2021

AbstractNearly all proteins are synthesized in the cytosol. The majority of this proteome must be trafficked elsewhere, such as to membranes, to subcellular compartments, or outside of the cell. Proper trafficking of nascent protein is necessary for protein folding, maturation, quality control and cellular and organismal health. To better understand cellular biology, molecular and chemical technologies to properly characterize protein trafficking (and mistrafficking) have been developed and applied. Herein, we take a biochemical perspective to review technologies that enable spatial and temporal measurement of protein distribution, focusing on both the most widely adopted methodologies and exciting emerging approaches.
Exchanging data between computational fluid dynamic and thermodynamic models for improving numerical analysis of Stirling engines
Authors: Cheng Chin‐Hsiang , Phung Duc‐Thuan 
Published: August 2021

AbstractIn a numerical analysis of a Stirling engine, the thermal and flow fields in the cylinder are three‐dimensional and periodically varying. Therefore, a computational fluid dynamic (CFD) analysis may provide detailed solution but it takes a long computation time to simulate enough number of cycles toward the final stable oscillatory regime. On the contrary, a thermodynamic model is relatively time‐effective; however, it is not sufficiently accurate because it is built under some ideal assumptions. In this study, a method of exchanging data between the two models is proposed to facilitate the simulation of Stirling engines. In this method, the CFD model provides some coefficients required by the thermodynamic model. The simulation is then advanced to the stable oscillatory regime by the thermodynamic model. The information of the stable oscillatory regime predicted by the thermodynamic model is introduced back to the CFD model to renew its initial guesses. Then, the CFD model corrects the required coefficients for the thermodynamic model. The iteration of prediction‐and‐correction continues until the exchanged information converges. Since the predicted initial guesses of the CFD analysis by the thermodynamic model are actually very close to the solutions in the stable oscillatory regime, the CFD model can achieve detailed solutions for the stable oscillatory regime in just a finite number of cycles. In this manner, the overall time consumption can be dramatically reduced and accuracy of the CFD analysis can be improved as well.