bluuebunny/crossref_metadata_2025_split huggingface dataset:
Plasma Metabolomics Profiles are Associated with the Amount and Source of Protein Intake: A Metabolomics Approach within the PREDIMED Study
Authors: Hernández‐Alonso Pablo , Becerra‐Tomás Nerea , Papandreou Christopher , Bulló Mònica , Guasch‐Ferré Marta , Toledo Estefanía , Ruiz‐Canela Miguel , Clish Clary B. , Corella Dolores , Dennis Courtney , Deik Amy , Wang Dong D. , Razquin Cristina , Drouin‐Chartier Jean‐Philippe , Estruch Ramon , Ros Emilio , Fitó Montserrat , Arós Fernando , Fiol Miquel , Serra‐Majem Lluís , Liang Liming , Martínez‐González Miguel A , Hu Frank B , Salas‐Salvadó Jordi 
Published: May 2020

ScopeThe plasma metabolomics profiles of protein intake have been rarely investigated. The aim is to identify the distinct plasma metabolomics profiles associated with overall intakes of protein as well as with intakes from animal and plant protein sources.Methods and resultsA cross‐sectional analysis using data from 1833 participants at high risk of cardiovascular disease is conducted. Associations between 385 identified metabolites and the intake of total, animal protein (AP), and plant protein (PP), and plant‐to‐animal ratio (PR) are assessed using elastic net continuous regression analyses. A double 10‐cross‐validation (CV) procedure is used and Pearson correlations coefficients between multi‐metabolite weighted models and reported protein intake in each pair of training‐validation datasets are calculated. A wide set of metabolites is consistently associated with each protein source evaluated. These metabolites mainly consisted of amino acids and their derivatives, acylcarnitines, different organic acids, and lipid species. Few metabolites overlapped among protein sources (i.e., C14:0 SM, C20:4 carnitine, GABA, and allantoin) but none of them toward the same direction. Regarding AP and PP approaches, C20:4 carnitine and dimethylglycine are positively associated with PP but negatively associated with AP. However, allantoin, C14:0 SM, C38:7 PE plasmalogen, GABA, metronidazole, and trigonelline (N‐methylnicotinate) behave contrarily. Ten‐CV Pearson correlation coefficients between self‐reported protein intake and plasma metabolomics profiles range from 0.21 for PR to 0.32 for total protein.ConclusionsDifferent sets of metabolites are associated with total, animal, and plant protein intake. Further studies are needed to assess the contribution of these metabolites in protein biomarkers’ discovery and prediction of cardiometabolic alterations.
Estimation of pharmacokinetic parameters from DCE‐MRI by extracting long and short time‐dependent features using an LSTM network
Authors: Zou Jiaren , Balter James M. , Cao Yue 
Published: May 2020

PurposeT1‐weighted dynamic contrast‐enhanced Magnetic Resonance Imaging (DCE‐MRI) is typically quantified by least squares (LS) fitting to a pharmacokinetic (PK) model to yield parameters of microvasculature and perfusion in normal and disease tissues. Such fitting is both time‐consuming as well as subject to inaccuracy and instability in parameter estimates. Here, we propose a novel neural network approach to estimate the PK parameters by extracting long and short time‐dependent features in DCE‐MRI.MethodsA Long Short‐Term Memory (LSTM) network, widely used for processing sequence data, was employed to map DCE‐MRI time‐series accompanied with an arterial input function to parameters of the extended Tofts model. Head and neck DCE‐MRI from 103 patients were used for training and testing the LSTM model. Arterial input functions (AIFs) from 78 patients were used to generate synthetic DCE‐MRI time‐series for training, during which data augmentation was used to overcome the limited size of in vivo data. The model was tested on independent synthesized DCE data using AIFs from 25 patients. The LSTM performance was optimized for the numbers of layers and hidden state features. The performance of the LSTM was tested for different temporal resolution, total acquisition time, and contrast‐to‐noise ratio (CNR), and compared to the conventional LS fitting and a CNN‐based method.ResultsCompared to LS fitting, the LSTM model had comparable accuracy in PK parameter estimations from fully temporal‐sampled DCE‐MRI data (~3 s per frame), but much better accuracy for the data with temporally subsampling (4s or greater per frame), total acquisition time truncation by 48%‐16%, or low CNR (5 and 10). The LSTM reduced normalized root mean squared error by 40.4%, 46.9%, and 53.0% for sampling intervals of 4s, 5s, and 6s, respectively, compared to LS fitting. Compared to the CNN model, the LSTM model reduced the error in the parameter estimates up to 55.2%. Also, the LSTM improved the inference time by ~ 14 times on CPU compared to LS fitting.ConclusionOur study suggests that the LSTM model could achieve improved robustness and computation speed for PK parameter estimation compared to LS fitting and the CNN based network, particularly for suboptimal data.
In vivo comparison of MRI‐based and MRS‐based quantification of adipose tissue fatty acid composition against gas chromatography
Authors: Trinh Lena , Peterson Pernilla , Leander Peter , Brorson Håkan , Månsson Sven 
Published: May 2020

PurposeTo compare MR‐based fatty acid composition (FAC) quantification methods against the gold standard technique, gas chromatography (GC), with comparison of a free and a constrained signal model. The FAC was measured in the healthy and edematous legs of lymphedema patients.MethodsIn vivo MRS and MRI data were acquired from 19 patients at 3 T. Biopsies were collected from subcutaneous adipose tissue of both thighs during liposuction. The saturated, monounsaturated, and polyunsaturated fatty acid fractions (fSFA, fMUFA and fPUFA, respectively) were estimated with the MR‐based methods using two signal models: free and constrained (number of methylene‐interrupted double bonds expressed in number of double bonds, based on GC data). Linear regression, Bland–Altman plots, and correlation coefficients were used to evaluate the MR methods against the GC of the biopsies. Paired t‐test was used to compare the FAC difference between edematous and healthy legs.ResultsThe estimated parameters correlated well with the GC data (rSFA, rMUFA, and rPUFA = 0.82, 0.81 and 0.89, respectively) using the free model MRI‐based approach. In comparison, the MRS‐based method resulted in weaker correlations and larger biases compared with MRI. In both cases, correct estimation of fMUFA and fPUFA fractions were not possible using the constrained model. The difference in FAC of healthy and edematous legs were estimated to 0.008 (P = .01), −0.009 (P = .005), and 0.002 (P = .03) for fSFA, fMUFA, and fPUFA.ConclusionIn this study, MRI‐based FAC quantification was highly correlated, although slightly biased, compared with GC, whereas the MRS‐based approach resulted in weaker correlations. Small but significant differences could be found between the healthy and edematous legs of lymphedema patients using GC analysis.
Trajectories of BMI Before Diagnosis of Type 2 Diabetes: The Rotterdam Study
Authors: Nano Jana , Dhana Klodian , Asllanaj Eralda , Sijbrands Eric , Ikram M. Arfan , Dehghan Abbas , Muka Taulant , Franco Oscar H. 
Published: May 2020

ObjectivePeople with diabetes show great variability in weight

gain and duration of obesity at the time of diagnosis. BMI trajectories and other cardiometabolic risk factors prior to type 2 diabetes

were investigated.MethodsA total of 6,223 participants

from the Rotterdam Study cohort were included. BMI patterns before diagnosis of diabetes were identified through latent class

trajectories.ResultsDuring a mean follow‐up of

13.7 years, 565 participants developed type 2 diabetes. Three distinct trajectories of BMI were identified, including the

“progressive overweight” group (n = 481, 85.1%), “progressive weight loss” group

(n = 59, 10.4%), and “persistently high BMI” group (n = 25, 4.4%). The

majority, the progressive overweight group, was characterized by a steady increase of BMI in the overweight range 10 years before

diabetes diagnosis. The progressive weight loss group had fluctuations of glucose and marked beta cell function loss. The

persistently high BMI group was characterized by a slight increase in insulin levels and sharp increase of insulin resistance

accompanied by a rapid decrease of beta cell function.Conclusions

Heterogeneity of BMI changes prior to type 2 diabetes was found in a middle‐aged and elderly white population.

Prevention strategies should be tailored rather than focusing only on high‐risk individuals.
Fabrication of very effective ferroferric oxide and multiwalled carbon nanotubes@polyetherimide/poly(ether ether ketone) electromagnetic interference shielding composites
Authors: Jiang Botao , Luan Jiashuang , Qin Shi , Wu Tonghua , Wang Guibin , Zhang Shuling 
Published: May 2020

AbstractThis article reports fabrication of very efficient electromagnetic interference (EMI) shielding composites prepared by melt blending of polyether‐ether ketone (PEEK), multiwalled carbon nanotubes (MWCNTs) covered with polyetherimide (PEI), and ferroferric oxide (Fe3O4) nanoparticles as a matrix, dielectric and magnetic loss fillers, respectively. The surface of MWCNTs was modified with PEI to improve their dispersion in the PEEK matrix as well as interfacial adhesion. Fe3O4 nanoparticles were then deposited onto the surface of MWCNTs coated with PEI (MWCNTs@PEI). In this case, MWCNTs@PEI filler served as a carrier for Fe3O4 nanoparticles for their even dispersion in PEEK. Additionally, combination of Fe3O4 nanoparticles and MWCNTs@PEI (Fe3O4 and MWCNTs@PEI) provided the resulting EMI materials with the enhanced electromagnetic absorption ability. This property was then utilized to fabricate PEEK‐based (Fe3O4 and MWCNTs@PEI/PEEK) EMI shielding composites. Specific shielding effectiveness (SSE) of this composite was ~54.4 dB mm−1 in the X band (8.2‐12.4 GHz). Tensile strength and the temperature at 5% weight loss of this novel EMI shielding materials were 117 MPa and 600°C, respectively.
Safety of clozapine use during pregnancy: Analysis of international pharmacovigilance data
Authors: Beex‐Oosterhuis Marieke M. , Samb Amadou , Heerdink Eibert R. , Souverein Patrick C. , Van Gool Arthur R. , Meyboom Ronald H. B. , van Marum Rob J. 
Published: May 2020

AbstractPurposeSafety data on clozapine use during pregnancy are limited. The aim of this study was to determine disproportionality in case safety reports on adverse pregnancy outcomes between clozapine and other antipsychotics (OAP) used during pregnancy.MethodsWe included all reports of suspected adverse drug reactions (ADRs) to antipsychotics registered in the World Health Organization global individual case safety report (ICSR) database (VigiBase) in children younger than 2 years and women aged 12‐45 years. A case/non‐case approach was used to evaluate the association between several pregnancy‐related ADRs and clozapine exposure during pregnancy, using 2×2 contingency tables to investigate disproportionality and Standard MedDRA Queries to select cases. Clozapine exposure was defined as all ICSR‐ADR combinations with clozapine as (one of) the suspected drug(s). Non‐exposure was defined as all ICSR‐ADR combinations with OAP as (one of) the suspected drug(s).ResultsWe identified 42 236 unique ICSR‐ADR combinations related with clozapine exposure and 170 710 with OAP exposure. Of these, 494 and 4645 ICSR‐ADR combinations involved adverse pregnancy outcomes related with clozapine exposure and OAP exposure respectively. Overall, no signal of disproportionate reporting associating clozapine with the studied adverse pregnancy outcomes was found compared with OAP exposure.ConclusionBased on global pharmacovigilance data, we did not find any evidence that clozapine is less safe during pregnancy than OAP. Although this is not automatically equivalent to the relative safety of clozapine during pregnancy, these findings add to the convergence of proofs to allow final conclusions and decisions regarding the treatment of pregnant women with clozapine.
Effect of mixed solvents on phase inversion of polymeric membranes
Authors: Kurada Krishnasri V , Agarwal Amit , De Sirshendu 
Published: May 2020

AbstractThe thermodynamics of phase inversion of polyvinylidene fluoride membrane with mixed solvents (N,N‐dimethyl formamide (DMF) and acetone) were modeled using Flory–Huggins theory. The kinetics of phase inversion were studied by measuring solvent concentration in the precipitation bath. A model was proposed to predict the time‐dependent solvent concentration profile in the precipitation bath. Depending on solvent volatility, the duration of the kinetics‐dominated regime and the evaporation‐dominated regime varies. A comparative analysis of thermodynamic and kinetic factors was used to predict membrane morphology and it was observed that the system under consideration was thermodynamics dominated. The membrane porosity exhibited decreasing porosity up to the Ac60 membrane (acetone to DMF ratio 60) and thereafter the membrane sublayer showed small pores. Addition of acetone resulted in increased crystallinity and surface hydrophilicity. The mean flow pore diameter measured using a liquid–liquid porometer decreased from 105 nm for an Ac0 membrane (acetone to DMF ratio 0) to 17 nm for an Ac60 membrane. Correspondingly, the molecular weight cut‐off of the membranes decreased from 135 kDa (for the Ac0 membrane) to 104 kDa (for the Ac60 membrane). The model proposed in this work can be used as a tool to predict the properties of intermediate compositions and prepare tailor‐made membranes with desired properties. © 2020 Society of Chemical Industry
Smart Colorimetric Chemosensors for Multi‐Analyte Signaling: Recognition of Heavy Metal Ions in an Aqueous Medium and DFT Studies
Authors: Tekuri Venkatadri , Mohan Makesh , Trivedi Darshak R. 
Published: May 2020

AbstractA Schiff's base colorimetric chemosensors R1–R3 consist of carbohydrazide, and heterocyclic aldehydes have been designed and synthesized for sensing of heavy metal ions. Synthesized receptors were well characterized by various standard spectroscopic techniques. The receptor R1 exhibited multi‐ion selectivity for Cd2+, Hg2+, Pb2+, Cu2+ ions and showed lowest detection limit of 1.9 ppb, for Cd2+ & Hg2+ ions. The receptors R2 and R3 displayed dual ion selectivity (R2 for Hg2+, Cu2+, and R3 for Cu2+, AsO2– ions) in an aqueous medium at ppb levels. The UV–Vis and colorimetric studies confirmed the selectivity and sensitivity of chemosensors R1–R3 in the presence of other interfering metal ions. Further, using the B–H plot, FT‐IR, and mass analysis data, the binding modes, stoichiometric ratios of receptors R1–R3 with the metal ions were investigated. The estimated association constant values were found to be 104 to 105 M–1/M–2. The experimental results are well concordant with that of calculated theoretical DFT results. The receptors R1–R3 exhibited good sensitivity and selectivity compared to literature reports and successfully demonstrated for test strip applications.
Structural, Quantum Chemical and Spectroscopic Investigations on Photophysical Properties of Fluorescent Saccharide Sensor: Theoretical and Experimental Studies
Authors: Khamees Hussien A. , Revanna Bhavya N. , Madegowda Mahendra , Sebastian Jeyaseelan , Haruvegowda Doreswamy B. , Kumar Shamantha 
Published: May 2020

AbstractStructure, Hirshfeld surface, spectra and photophysical properties of boronic acid‐based carbohydrate sensor (5‐fluoro‐2‐methoxyphenyl) boronic acid (BA8) has been reported by experimental methods (XRD/FT‐IR/UV/steady state fluorescence) and theoretically by Density functional theory (DFT) model with most accurate functionals (B3LYP/CAM−B3LYP/ M06‐2X). The comparison of theoretical and experimental data exhibited good agreement. Natural bond orbital (NBO) and frontier molecular orbitals (FMOs) have been analysed. The sensing ability of the compound with carbohydrates (D‐glucose and D‐fructose) were studied by UV/fluorescence spectra. The variation of absorbance and fluorescence on pH was rationale with the estimated acid‐base dissociation constants (pKa). Quantum yield (Φ) and fluorescence lifetimes (τ) for the compound and its esters with sugars were calculated. The results of absorbance, fluorescence measurements and calculated photophysical properties indicated fairly selectivity of BA8 with fructose more than the glucose, which is ascertained from both experimental and theoretical results.
ATP Suppression by pH‐Activated Mitochondria‐Targeted Delivery of Nitric Oxide Nanoplatform for Drug Resistance Reversal and Metastasis Inhibition
Authors: Deng Yongyan , Jia Fan , Chen Xiaohui , Jin Qiao , Ji Jian 
Published: May 2020

AbstractMitochondria, which are important mediators for cancer initiation, growth, metastasis, and drug resistance, have been considered as a major target in cancer therapy. Herein, an acid‐activated mitochondria‐targeted drug nanocarrier is constructed for precise delivery of nitric oxide (NO) as an adenosine triphosphate (ATP) suppressor to amplify the therapeutic efficacy in cancer treatments. By combining α‐cyclodextrin (α‐CD) and acid‐cleavable dimethylmaleic anhydride modified PEG conjugated mitochondria‐targeting peptide, the nanocarrier shows prolonged blood circulation time and enhanced cellular uptake together with selectively restoring mitochondria‐targeting capability under tumor extracellular pH (6.5). Such specific mitochondria‐targeted delivery of NO proves crucial in inducing mitochondria dysfunction through facilitating mitochondrial membrane permeabilization and downregulating ATP level, which can inhibit P‐glycoprotein‐related bioactivities and formation of tumor‐derived microvesicles to combat drug resistance and cancer metastasis. Therefore, this pioneering acid‐activated mitochondria‐targeted NO nanocarrier is supposed to be a malignant tumor opponent and may provide insights for diverse NO‐relevant cancer treatments.
A 16‐year Longitudinal Cohort Study of Incidence and Bacteriology of Necrotising Fasciitis in England
Authors: Bodansky David M. S. , Begaj Irena , Evison Felicity , Webber Mark , Woodman Ciaran B. , Tucker Olga N. 
Published: May 2020

AbstractBackgroundNecrotising fasciitis (NF) is a rapidly progressive, destructive soft tissue infection with high mortality. The primary aim of this study was to evaluate the incidence and mortality of NF amongst patients admitted to English National Health Service (NHS) hospitals. The secondary aims included the identification of risk factors for mortality and causative pathogens.MethodsThe Hospital Episodes Statistics database identified patients with NF admitted to English NHS Trusts from 1/1/2002 to 31/12/2017. Information on patient demographics, co‐morbid conditions, microbiology specimens, surgical intervention and in‐hospital mortality was collected. Uni‐ and multivariable analyses were performed to investigate factors related to in‐hospital mortality.ResultsA total of 11,042 patients were diagnosed with NF. Age‐standardised incidence rose from 9 per million in 2002 to 21 per million in 2017 (annual percentage change = 6.9%). Incidence increased with age and was higher in men. Age‐standardised mortality rate remained at 16% over the study period, while in‐hospital mortality declined. On multivariable analysis, the following factors were associated with increased risk of in‐hospital mortality: emergency admission, female sex, history of congestive heart failure, peripheral vascular disease, chronic kidney disease and cancer. Admission year and diabetes, which was significantly prevalent at 27%, were not associated with increased risk of mortality. Gram‐positive pathogens, particularly Staphylococci, decreased over the study period with a corresponding increase in Gram‐negative pathogens, predominantly E. coli.ConclusionThe incidence of NF increased markedly from 2002 to 2017 although in‐hospital mortality did not change. There was a gradual shift in the causative organisms from Gram‐positive to Gram‐negative.
Asthenosphere-induced melting of diverse source regions for East Carpathian post-collisional volcanism
Authors: Bracco Gartner Antoine J. J. , Seghedi Ioan , Nikogosian Igor K. , Mason Paul R. D. 
Published: May 2020

AbstractThe occurrence of post-subduction magmatism in continental collision zones is a ubiquitous feature of plate tectonics, but its relation with geodynamic processes remains enigmatic. The nature of mantle sources in these settings, and their interaction with subduction-related components, are difficult to constrain using bulk rocks when magmas are subject to mixing and assimilation within the crust. Here we examine post-collisional magma sources in space and time through the chemistry of olivine-hosted melt inclusions and early-formed minerals (spinel, olivine and clinopyroxene) in primitive volcanic rocks from the Neogene–Quaternary East Carpathian volcanic range in Călimani (calc-alkaline; 10.1–6.7 Ma), Southern Harghita (calc-alkaline to shoshonitic; 5.3–0.03 Ma) and the Perșani Mountains (alkali basaltic; 1.2–0.6 Ma). Călimani calc-alkaline parental magma compositions indicate a lithospheric mantle source metasomatised by ~ 2% sediment-derived melts, and are best reproduced by ~ 2–12% melting. Mafic K-alkaline melts in Southern Harghita originate from a melt- and fluid-metasomatised lithospheric mantle source containing amphibole (± phlogopite), by ~ 5% melting. Intraplate Na-alkaline basalts from Racoș (Perșani) reflect small-degree (1–2%) asthenosphere-derived parental melts which experienced minor interaction with metasomatic components in the lithosphere. An important feature of the East Carpathian post-collisional volcanism is that the lithospheric source regions are located in the lower plate (distal Europe-Moesia), rather than the overriding plate (Tisza-Dacia). The volcanism appears to have been caused by (1) asthenospheric uprise following slab sinking and possibly south-eastward propagating delamination and breakoff, which induced melting of the subduction-modified lithospheric mantle (Călimani to Southern Harghita); and (2) decompression melting as a consequence of minor asthenospheric upwelling (Perșani).