bluuebunny/crossref_metadata_2025_split huggingface dataset:
Discovery of a Cell‐Active SuTEx Ligand of Prostaglandin Reductase 2
Authors: Toroitich Emmanuel K. , Ciancone Anthony M. , Hahm Heung Sik , Brodowski Skylar M. , Libby Adam H. , Hsu Ku‐Lung 
Published: April 2021

AbstractSulfonyl‐triazoles have emerged as a new reactive group for covalent modification of tyrosine sites on proteins through sulfur‐triazole exchange (SuTEx) chemistry. The extent to which this sulfur electrophile can be tuned for developing ligands with cellular activity remains largely underexplored. Here, we performed fragment‐based ligand discovery in live cells to identify SuTEx compounds capable of liganding tyrosine sites on diverse protein targets. We verified our quantitative chemical proteomic findings by demonstrating concentration‐dependent activity of SuTEx ligands, but not inactive counterparts, against recombinant protein targets directly in live cells. Our structure‐activity relationship studies identified the SuTEx ligand HHS‐0701 as a cell‐active inhibitor capable of blocking prostaglandin reductase 2 (PTGR2) biochemical activity.
Is the effect of atorvastatin 60 mg on stabilization of lipid‐rich plaque equivalent to that of rosuvastatin 10 mg? A serial optical coherence tomography combined with intravascular ultrasound imaging
Authors: Xu Maoen , Demuyakor Abigail , Hu Sining , Liu Huimin , Zhao Chen , Chen Tao , Qin Yuhan , Xu Yishuo , Feng Xue , Zeng Ming , Weng Ziqian , Gao Zhanqun , Hou Jingbo , Jia Haibo , Zhang Shuo , Yu Bo 
Published: April 2021

AbstractObjectivesThis study aimed to compare the effect of atorvastatin 60 (AT60) mg to that of rosuvastatin 10 (RT10) mg on the morphological changes in lipid‐rich plaques (LRPs) and plaque volume, using serial optical coherence tomography (OCT) and intravascular ultrasound imaging (IVUS).BackgroundIntensive lipid lowering therapy by statin provides more clinical benefit compared to that of moderate lipid lowering therapy.MethodsFifty patients who underwent OCT and IVUS at baseline, 6, and 12 months were grouped by statin therapy into the AT60 mg (n = 27) and RT10 mg (n = 23) groups. The relationships between absolute and percentage changes in biomarkers and fibrous cap thickness (FCT) during follow‐up were investigated using a simple regression analysis.ResultsAt 6 months, the mean low‐density lipoprotein cholesterol level reduced from 113.5 to 65.5 mg/dl (AT60 mg group) and 100.2 to 72.2 mg/dl (RT10 mg groups). A continuous increase in FCT from baseline to 12 months was observed in both groups (p < .001, p < .001, respectively). Mean lipid arc significantly decreased in both AT60 mg (189.0 ± 55.9°, 170.9 ± 60.2°, 155.6 ± 50.6°, p < .001) and RT10 mg (160.0 ± 45.6°, 151.2 ± 48.5°, 141.1 ± 52.9°, p = .010) groups. Plaque burden did not change significantly in both groups.ConclusionsLipid‐lowering therapy effect with AT60 mg was equivalent to that of RT10 mg in terms of change in plaque morphology. AT60 mg showed more intensive low‐density lipid cholesterol level reduction compared to RT10 mg while RT10 mg was effective in increasing the high‐density lipid cholesterol level. Both statin therapies could effectively stabilize LRPs.
An efficient and accurate numerical determination of the cluster resolution metric in two dimensions
Authors: Armstrong Michael Sorochan , de la Mata A. Paulina , Harynuk James J. 
Published: April 2021

AbstractCluster resolution (CR) is a useful metric for guiding automated feature selection of classification models. CR is a measure of class separation in a linear subspace for variable subsets via the determination of maximal, non‐intersecting confidence ellipses. Feature selection by cluster resolution (FS‐CR) is most commonly used to extract panels of useful, discriminating features from sparsely populated chromatographic peak tables, optimizing models from raw signals, or when working with datasets with many more variables than samples. The absence of a numerical method for calculating CR necessitates a great deal of dynamic programming and algorithmic complexity. In this work, we present a numerical determination of the CR metric, which reduces computation time by about 65 times when compared with the dynamic programming approach and simplifies the operating principles of FS‐CR algorithm.
The contributions of Prof. Kenneth F. O'Driscoll to radical copolymerization kinetics
Authors: Hutchinson Robin A. , Klumperman Bert , Russell Gregory T. , Van Herk Alexander M. 
Published: April 2021

AbstractAmong the many contributions that Kenneth “Ken” O'Driscoll made to advance the understanding of radical polymerization kinetics was the implementation of proper statistical procedures for extracting (monomer) reactivity ratios from experimental data for copolymer composition. He emphasized the importance of experimental design, using non‐linear regression, and a proper error analysis to construct reliable joint confidence intervals. He disseminated his views on this topic in many conferences, including the influential Santa Margherita Ligure series which he initiated, and which helped kickstart the renaissance of radical polymerization kinetics. This brief retrospective honours both Ken's scientific contributions and his humanity.
Pharmacokinetics of Opicapone and Its Metabolites in Healthy White and Chinese Subjects
Authors: Xue Wei , Tan Yan , Liu Yue , Xu Changjiang , Cong Duanduan , Zhong Liping , Song Jie , Hui Aimin , Qi Wenyuan , Wang Juan , Liu Xiaohui , Li Kexin 
Published: April 2021

AbstractOpicapone (OPC) is a third‐generation catechol‐O‐methyltransferase inhibitor developed to treat Parkinson disease and motor fluctuations. This open‐label, single‐center, phase 1 study aimed to evaluate the pharmacokinetics (PK) of OPC and its metabolites when administered as single and multiple doses in healthy White and Chinese subjects. The study enrolled a total of 30 White and Chinese healthy subjects, equally balanced among groups. The first dose of OPC was administered orally as a single dose of 50 mg on day 1, followed by a 10‐day once‐daily treatment from day 5 to day 14. Plasma concentrations of OPC and its metabolites were measured at 0 to 72 and 0 to 144 hours after dosing for single dose and multiple dose, respectively. Moreover, urine concentrations of OPC and its metabolite were measured 0 to 24 hours after dosing. PK parameters were derived from noncompartmental analysis. Geometric mean ratios and 90% confidence intervals for the main PK parameters were conducted to evaluate the ethnic difference between White and Chinese subjects. The plasma and urine exposure of OPC and its metabolites in Chinese subjects were similar to those in White subjects. These results indicated that ethnicity had no significant impact on PK of OPC between White and Chinese subjects.
Adverse childhood experiences and repetitive negative thinking in adulthood: A systematic review
Authors: Mansueto Giovanni , Cavallo Chiara , Palmieri Sara , Ruggiero Giovanni Maria , Sassaroli Sandra , Caselli Gabriele 
Published: April 2021

AbstractBackgroundIt has been proposed that repetitive negative thinking (worry and rumination) may be more common among adults who have been exposed to childhood adverse experiences, leading to emotional disorders and other adverse outcomes. The current study aims to present a comprehensive evaluation of the literature examining the relationship between the exposure to childhood adversities, repetitive negative thinking and clinical outcomes in adulthood.MethodsIn accordance with Preferred Reporting Items for Systematic Reviews and Meta‐Analyses (PRISMA) criteria, a search was conducted on PubMed and Ebsco. A manual search of reference lists was also run. Search terms were ‘childhood adversity/childhood abuse/childhood neglect/early loss event AND worry or rumination’.ResultsA total of 18 studies met the inclusion criteria. In both non‐clinical and clinical populations, worry and rumination seem to be common among adults exposed to childhood abuse or childhood neglect. Among adults who have been exposed to childhood adversities, rumination seems to be associated with worse clinical outcomes such as severe psychiatric symptoms, depression, dysphoria, suicidal ideation, cognitive complaints, post‐traumatic stress symptoms and aggression.ConclusionEarly experiences of abuse and neglect may be associated with a tendency to engage in repetitive negative thinking, such as worry and rumination, in adulthood. Among adults, with a history of childhood adversities, tailored treatment to reduce repetitive negative thinking should be considered.
Coumarin‐Pyronin Hybrid Dyes: Synthesis, Fluorescence Properties and Theoretical Calculations**
Authors: Renault Kévin , Chevalier Arnaud , Bignon Jérôme , Jacquemin Denis , Richard Jean‐Alexandre , Romieu Anthony 
Published: April 2021

AbstractA novel class of rosamine dyes bearing a 7‐substituted 4‐hydroxycoumarin unit as meso‐heteroaryl ring is presented. The latent C‐nucleophilic character of 4‐hydroxycoumarin derivatives (i. e., their C‐3 position as a nucleophilic center) has been drawn on in the design of two unprecedented synthetic routes towards these atypical xanthene dyes. The syntheses are based on an effective formal Knoevenagel condensation with either pyronin derivatives or a mixed bis‐aryl ether bearing both an aldehyde and a masked phenylogous amine, possibly applicable to a wide range of latent cyclic C‐nucleophiles. We also report experimental and theoretical photophysical investigations of these unique coumarin‐pyronin hybrid structures and particularly they form low‐lying quenching states, some dark and demonstrating a twisted intramolecular charge transfer (TICT) nature, depending on the medium (CHCl3 and water). Furthermore, two fluorophore compounds have been applied for imaging in paraformaldehyde‐fixed A549 cells to gain insights into their permeation and localization.
Mapping Interactions between Glycans and Glycan‐Binding Proteins by Live Cell Proximity Tagging
Authors: Joeh Eugene , Reeves Abigail E. , Parker Christopher G. , Huang Mia L. 
Published: April 2021

AbstractInteractions between glycans and glycan‐binding proteins (GBPs) consist of weak, noncovalent, and transient binding events, making them difficult to study in live cells void of a static, isolated system. Furthermore, the glycans are often presented as protein glycoconjugates, but there are limited efforts to identify these proteins. Proximity labeling permits covalent tagging of the glycoprotein interactors to query GBP in live cells. Coupled with high‐resolution mass spectrometry, it facilitates determination of the proteins bearing the interacting glycans. In this method, fusion protein constructs of a GBP of interest with a peroxidase enzyme allows for in situ spatiotemporal radical‐mediated tagging of interacting glycoproteins in living cells that can be enriched for identification. Using this method, the capture and study of glycan‐GBP interactions no longer relies on weak, transient interactions, and results in robust capture and identification of the interactome of a GBP while preserving the native cellular environment. This protocol focuses on (1) expression and characterization of a recombinant fusion protein consisting of a peroxidase and the GBP galectin‐3, (2) corresponding in situ labeling and visualization of interactors, (3) and proteomic workflow and analysis of captured proteins for robust identification using mass spectrometry. © 2021 Wiley Periodicals LLC.Basic Protocol 1: Expression, purification, and characterization of recombinant fusion proteinAlternate Protocol 1: Manual Ni‐NTA purification of recombinant fusion proteinBasic Protocol 2: In situ proximity labeling and evaluation by fluorescence microscopyAlternate Protocol 2: Western blot analysis of in situ proximity labelingBasic Protocol 3: Proximity labeling of cells for quantitative MS‐based proteomics with tandem mass tags
Scale‐free topology security mechanism of wireless sensor network against cascade failure
Authors: Gao Zhiyang , Liu Yaqi , Qi Feng , Chen Huaijin 
Published: April 2021

SummaryAs the basic architecture of the Internet of things, wireless sensor networks are the most important technical means to detect data on the Internet of things, and their security is essential to the development and implementation of the Internet of things. The wireless sensor network based on the scale‐free theory has strong fault tolerance when random nodes fail and can better adapt to the unsupervised and complex environment of wireless sensor networks. However, in a wireless sensor network with scale‐free function, the unevenness of its degree distribution causes some nodes to be very critical in the network. Once attacked, it will cause major damage to the network. Selective promotion attacks are relatively common. At the network level, the attacker destroys the normal collection of network data by selectively losing information or not forwarding sensitive information, which is extremely harmful to the network using this function. In order to overcome the influence of excessive dependence on a single path on the balance performance of the network, starting from the entire network, a secure multi‐path routing algorithm for wireless sensor networks based on scale‐free topology is proposed. Through the analysis of the network topology, the highest degree network node can be found. Optimize the load factor, use digital watermarking technology to locate the network path packet loss rate, and perform Gaussian modeling on the packet loss rate. Then the routing loading function and the routing packet loss rate are used as the confidence model factors to create the routing confidence model. We must first establish a model, select the transmission path according to the received function, and then obtain the global optimal security sensor routing algorithm. Through the algorithm in this thesis, the security of the wireless sensor network is improved by 17%.
Neuronal androgen receptor is required for activity dependent enhancement of peripheral nerve regeneration
Authors: Ward Patricia J. , Davey Rachel A. , Zajac Jeffrey D. , English Arthur W. 
Published: April 2021

AbstractNeuronal activity after nerve injury can enhance axon regeneration and the restoration of function. The mechanism for this enhancement relies in part on hormone receptors, and we previously demonstrated that systemic androgen receptor antagonism blocked the effect of exercise or electrical stimulation on enhancing axon regeneration after nerve injury in both sexes. Here, we tested the hypothesis that the site of this androgen receptor signaling is both neuronal and involves the classical, genomic signaling pathway. In vivo, dorsal root ganglion neurons successfully regenerate in response to activity‐dependent neuronal activation, and conditional deletion of the DNA‐binding domain of the androgen receptor in adults blocks this effect in males and females. Motoneurons in males and females also respond in this manner, but we also observed a sex difference. In vitro, cultured sensory dorsal root ganglion neurons respond to androgens via traditional androgen receptor signaling mechanisms leading to enhanced neurite growth and did not respond to a testosterone conjugate that is unable to cross the cell membrane. Given our previous observation of a requirement for activity‐dependent androgen receptor signaling to promote regeneration in both sexes, we interpret our results to indicate that genomic neuronal androgen receptor signaling is required for activity‐dependent axon regeneration in both sexes.
Re‐evaluation of combined ((ES/EG)/(TS/TG)) ratio as a marker of testosterone intake in men
Authors: Schulze Jenny , Pettersson‐Bohlin Kim , Thörngren John‐Olof , Ekström Lena 
Published: April 2021

AbstractTo detect doping with pseudo‐endogenous anabolic steroids in sports, a urinary steroid profile with glucuronidated plus unconjugated androgens is used. In addition to analyze androgen glucuronide metabolites, it can be of interest to also include sulfate metabolites in the urinary steroid profile. The combined ratios of epitestosterone sulfate/epitestosterone glucuronide to the ratios of testosterone sulfate/testosterone glucuronide ((ES/EG)/(TS/TG)) have previously been investigated as a complementary biomarker for testosterone doping. In this restudy, the aim was to evaluate this biomarker in a larger study sample population. A single dose of 500‐mg testosterone enanthate was administered to 54 healthy male volunteers. Urine was collected prior to (Day 0) administration and throughout 15 days and analyzed for the sulfate and glucuronide conjugates of testosterone and epitestosterone. The results show that the combined ratio increased to a larger extent than the traditional T/E ratio in all subjects. This increase was independent on UGT2B17 gene polymorphism. Moreover, a delayed peak of the combined ratio was observed in ~60% of the participants. The results confirm that complementary analyses of the sulfate metabolites may be a useful approach to detect testosterone doping in men.
Lipids and Fatty Acids of the Gonads of Sea Urchin Diadema setosum (Echinodermata) From the Coastal Area of the Nha Trang Bay, Central Vietnam
Authors: Murzina Svetlana A. , Dgebuadze Polina Yu. , Pekkoeva Svetlana N. , Voronin Viktor P. , Mekhova Elena S. , Thanh Nguyen T. H. 
Published: April 2021

AbstractThe sea urchin Diadema setosum is edible and desirable as food by locals in central Vietnam and a promising target for potential fishing. The lipid profiles of the gonads of the sea urchin inhabiting the coastal area in Nha Trang Bay are studied for the first time. The determination of the content of the total lipids (TL), total phospholipids (PL), monoacylglycerols (MAG), diacylglycerols (DAG), triacylglycerols (TAG), cholesterol (Chol), sterol esters, and free fatty acids (FFA) is analyzed by high‐performance thin layer chromatography (HPTLC); the phosphatidylserine (PS), phosphatidylethanolamine (PE), phosphatidylinositol (PI), phosphatidylcholine (PC), lysophosphatidylcholine (LPC), and sphingomyelin (SM) are determined by high‐pressure liquid chromatography (HPLC); and the fatty acid levels of TLs are identified using gas chromatography (GC). Non‐polar TAG, FFA, Chol, and DAG dominated. The content of total PL is significant. PC is abundant among PL fractions, followed by PE, PI, and PS. The TLs contain a high proportion of PUFA, mainly due to arachidonic fatty acid and eicosapentanoic fatty acid. The (n−6)/(n−3) ratio is 1.68, and the atherogenic and thrombogenic indexes of D. setosum are 1.13 and 0.73. The results can be used in the development of marine bioprospecting and methodological approaches for the creation of functional substances.
Cognitive agency in music interventions: Increased perceived control of music predicts increased pain tolerance
Authors: Howlin Claire , Rooney Brendan 
Published: April 2021

AbstractBackgroundSelf‐selected music is consistently found to be the strongest predictor for successful music listening interventions in pain management contexts, but the specific cognitive mechanisms that mediate these effects are currently unknown.ObjectivesThe aim of this study was to isolate the role of cognitive agency on pain tolerance in music listening interventions, independently from parallel effects related to enjoyment. Additionally, the study examines the role of intramusical features and individual attributes related to musical engagement.MethodsFifty‐two participants completed a repeated measures experiment, which involved listening to six different pieces of music while completing the cold pressor task. Cognitive agency was operationalized by giving participants different degrees of perceived control over the music selection, when in fact it was pre‐determined by the experimenter.ResultsA generalized linear mixed model was used to analyse the impact of perceived choice and intramusical features on pain tolerance measured in terms of duration on the cold pressor task, pain intensity and pain unpleasantness. Increased levels of perceived choice predicted increases in pain tolerance when enjoyment was accounted for. Individual levels of trait empathy and sophisticated emotional engagement with music also contributed to the effects. Intramusical features did not predict increases in pain tolerance.ConclusionsThis study demonstrates that the reason self‐selected music is particularly effective in reducing pain is related to the act of making a choice over the music itself. This study provides support for the cognitive vitality model and emphasizes the importance of giving people as much control as possible in music interventions.SignificanceThis study identifies that the act of selecting music contributes to increases in pain tolerance in parallel with the independent factor of enjoyment. This provides support for the role of cognitive agency in mediating the analgesic effects of music interventions, which suggests that people should be given as much control as possible in music interventions. Additionally, this study identifies specific individual attributes related to emotional engagement and empathy that amplify the effect of cognitive agency.
Self‐reported prognostic factors in adults reporting neck or low back pain: An umbrella review
Authors: Mansell Gemma , Corp Nadia , Wynne‐Jones Gwenllian , Hill Jonathan , Stynes Siobhán , van der Windt Daniëlle 
Published: April 2021

AbstractBackgroundNumerous systematic reviews have attempted to synthesize evidence on prognostic factors for predicting future outcomes such as pain, disability and return‐to‐work/work absence in neck and low back pain populations.Databases and datatreatmentAn umbrella review of systematic reviews was conducted to summarize the magnitude and quality of the evidence for each prognostic factor investigated. Searches were limited to the last 10 years (2008‐11th April 2018, updated 28th September 2020). A two‐stage approach was undertaken: in stage one, data on prognostic factors was extracted from systematic reviews identified from the systematic search that met the inclusion criteria. Where a prognostic factor was investigated in ≥1 systematic review and where 50% or more of those reviews found an association between the prognostic factor and one of the outcomes of interest, it was taken forward to stage two. In stage two, additional information extracted included the strength of association found, consistency of effects and risk of bias. The GRADE approach was used to grade confidence in the evidence.ResultsStage one identified 41 reviews (90 prognostic factors), with 35 reviews (25 prognostic factors) taken forward to stage two. Seven prognostic factors (disability/activity limitation, mental health; pain intensity; pain severity; coping; expectation of outcome/recovery and fear‐avoidance) were judged as having moderate confidence for robust findings.ConclusionsAlthough there was conflicting evidence for the strength of association with outcome, these factors may be used for identifying vulnerable subgroups or people able to self‐manage. Further research can investigate the impact of using such prognostic information on treatment/referral decisions and patient outcomes.