bluuebunny/crossref_metadata_2025_split huggingface dataset:
Design of 3‐Phenylcoumarins and 3‐Thienylcoumarins as Potent Xanthine Oxidase Inhibitors: Synthesis, Biological Evaluation, and Docking Studies
Authors: Fais Antonella , Pintus Francesca , Era Benedetta , Floris Sonia , Kumar Amit , Sarmadhikari Debapriyo , Sogos Valeria , Uriarte Eugenio , Asthana Shailendra , Matos Maria João 
Published: October 2023

AbstractCoumarin scaffold has proven to be promising in the development of bioactive agents, such as xanthine oxidase (XO) inhibitors. Novel hydroxylated 3‐arylcoumarins were designed, synthesized, and evaluated for their XO inhibition and antioxidant properties. 3‐(3’‐Bromophenyl)‐5,7‐dihydroxycoumarin (compound 11) proved to be the most potent XO inhibitor, with an IC50 of 91 nM, being 162 times better than allopurinol, one of the reference controls. Kinetic analysis of compound 11 and compound 5 [3‐(4’‐bromothien‐2’‐yl)‐5,7‐dihydroxycoumarin], the second‐best compound within the series (IC50 of 280 nM), has been performed, and both compounds showed a mixed‐type inhibition. Both compounds present good antioxidant activity (ability to scavenge ABTS radical) and are able to reduce reactive oxygen species (ROS) levels in H2O2‐treated cells. In addition, they proved to be non‐cytotoxic in a Caco‐2 cells viability assay. Molecular docking studies have been carried out to correlate the compounds’ theoretical and experimental binding affinity to the XO binding pocket.
Integrating Electron Paramagnetic Resonance Spectroscopy and Computational Modeling to Measure Protein Structure and Dynamics
Authors: Bogetti Xiaowei , Saxena Sunil 
Published: October 2023

AbstractElectron paramagnetic resonance (EPR) has become a powerful probe of conformational heterogeneity and dynamics of biomolecules. In this Review, we discuss different computational modeling techniques that enrich the interpretation of EPR measurements of dynamics or distance restraints. A variety of spin labels are surveyed to provide a background for the discussion of modeling tools. Molecular dynamics (MD) simulations of models containing spin labels provide dynamical properties of biomolecules and their labels. These simulations can be used to predict EPR spectra, sample stable conformations and sample rotameric preferences of label sidechains. For molecular motions longer than milliseconds, enhanced sampling strategies and de novo prediction software incorporating or validated by EPR measurements are able to efficiently refine or predict protein conformations, respectively. To sample large‐amplitude conformational transition, a coarse‐grained or an atomistic weighted ensemble (WE) strategy can be guided with EPR insights. Looking forward, we anticipate an integrative strategy for efficient sampling of alternate conformations by de novo predictions, followed by validations by systematic EPR measurements and MD simulations. Continuous pathways between alternate states can be further sampled by WE‐MD including all intermediate states.
A Human Neuron/Astrocyte Co‐culture to Model Seeded and Spontaneous Intraneuronal Tau Aggregation
Authors: Batenburg Kevin Llewelyn , Rohde Susan Karijn , Cornelissen‐Steijger Paulien , Breeuwsma Nicole , Heine Vivi Majella , Scheper Wiep 
Published: October 2023

AbstractCommunication and contact between neurons and astrocytes is important for proper brain physiology. How neuron/astrocyte crosstalk is affected by intraneuronal tau aggregation in neurodegenerative tauopathies is largely elusive. Human induced pluripotent stem cell (iPSC)‐derived neurons provide the opportunity to model tau pathology in a translationally relevant in vitro context. However, current iPSC models inefficiently develop tau aggregates, and co‐culture models of tau pathology have thus far utilized rodent astrocytes. In this article, we describe the co‐culture of human iPSC‐derived neurons with primary human astrocytes in a 96‐well format compatible with high‐content microscopy. By lentiviral overexpression of different mutated tau variants, this protocol can be flexibly adapted for the efficient induction of seeded or spontaneous tau aggregation. We used this novel co‐culture model to identify cell type–specific disease mechanisms and to provide proof of concept for intervention by antisense therapy. These results show that this human co‐culture model provides a highly translational tool for target discovery and drug development for human tauopathies. © 2023 The Authors. Current Protocols published by Wiley Periodicals LLC.This article was corrected on 28 January 2025. See the end of the full text for details.Basic Protocol: Human neuron/astrocyte co‐culture for seeded and spontaneous intraneuronal tau aggregationSupport Protocol 1: Human induced pluripotent stem cell cultureSupport Protocol 2: Human primary astrocyte culture
Shared resource lab (SRL) strategies for supporting high‐dimensional cytometry data analysis
Authors: Gravano David M. , Rieger Aja M. , Nettenstrom Lauren , Hall Christopher , Ferrer‐Font Laura 
Published: October 2023

AbstractWith the increase in the number of parameters that can be detected at the single‐cell level using flow and mass cytometry, there has been a paradigm shift when handling and analyzing data sets. Cytometry Shared Resource Laboratories (SRLs) already take on the responsibility of ensuring users have resources and training in experimental design and operation of instruments to promote high‐quality data acquisition. However, the role of SRLs downstream, during data handling and analysis, is not as well defined and agreed upon. Best practices dictate a central role for SRLs in this process as they are in a pivotal position to support research in this context, but key considerations about how to effectively fill this role need to be addressed. Two surveys and one workshop at CYTO 2022 in Philadelphia, PA, were performed to gain insight into what strategies SRLs are successfully employing to support high‐dimensional data analysis and where SRLs and their users see limitations and long‐term challenges in this area. Recommendations for high‐dimensional data analysis support provided by SRLs will be offered and discussed.
Remote management of worsening heart failure to avoid hospitalization in a real‐world setting
Authors: Ploux Sylvain , Strik Marc , Ramirez F. Daniel , Buliard Samuel , Chauvel Rémi , Dos Santos Pierre , Haïssaguerre Michel , Jobbé‐Duval Antoine , Picard François , Riocreux Clément , Eschalier Romain , Bordachar Pierre 
Published: October 2023

AbstractAimsFrom a patient and health system perspective, managing worsening heart failure (WHF) as an outpatient has become a priority. Remote management allows early detection of WHF, enabling timely intervention with the aim of preventing hospitalization. The objective of the study was to evaluate the feasibility and safety of remotely managing WHF events using a multiparametric platform.Methods and resultsAll patients enrolled in the heart failure remote management programme of the Bordeaux University Hospital Telemedicine Center between 1 January and 31 December 2021 were included in the study. Follow‐up data were collected until 1 March 2022. Inclusion criteria were chronic heart failure (HF) with New York Heart Association ≥II symptoms and an elevated B‐type natriuretic peptide (BNP > 100 pg/mL or N‐terminal‐pro‐BNP > 1000 pg/mL). Patient assessments were performed remotely and included measurements of body weight, blood pressure, heart rate, symptoms, biochemical parameters, and data from cardiac implantable electronic devices when available. In total, 161 patients (71 ± 11 years old, 79% male) were followed for a mean of 291 ± 66 days with a mean adherence to the remote monitoring system of 80 ± 20%. Over this period, 52 (32.3%) patients had 105 WHF events, of which 66 (63%) were successfully managed remotely, the remaining requiring hospitalization. Freedom from WHF events and hospitalization at 300 days were 66% and 85%, respectively (P < 0.001 for the difference). Increased level of BNP was associated with an increased risk of WHF event [hazard ratio (HR) per unit increase in BNP: 1.001; 95% confidence interval (CI) 1–1.002; P = 0.001] and hospitalization (HR 1.002; 95% CI 1.002–1.003; P = 0.002). A decrease in the level of glomerular filtration rate was associated with an increased risk of hospitalization (HR per unit decrease in estimated glomerular filtration rate: 0.946; 95% CI 0.906–0.989; P = 0.014). WHF event recurrence and (re)hospitalization rates at 1‐month were similar among patients managed remotely (18% and 12%, respectively) and those requiring hospitalization (21% and 10%, respectively). Iatrogenic complications occurred more often during hospitalization than remote management (26% vs. 3%, P < 0.001).ConclusionsOur study suggests that remote management of WHF events based on a multiparametric approach led by a telemedical centre is feasible and safe. Adopting such a strategy for patients with chronic HF could reduce HF‐related hospitalizations with expected benefits for patients, care providers, and health care systems.
Multianalyte analysis of volatile compounds in virgin olive oils using SPME‐GC with FID or MS detection: results of an international interlaboratory validation
Authors: García‐González Diego L. , Casadei Enrico , Aparicio‐Ruiz Ramón , Ortiz Romero Clemente , Valli Enrico , Brereton Paul , Koidis Anastasios , Korytkowska Martyna , Servili Maurizio , Selvaggini Roberto , Lacoste Florence , Escobessa Julien , Vichi Stefania , Quintanilla‐Casas Beatriz , Tres Alba , Golay Pierre‐Alain , Lucci Paolo , Moret Erica , Bendini Alessandra , Gallina Toschi Tullia 
Published: October 2023

AbstractThe organoleptic assessment (Panel test) is the only procedure within the official methods for determining the quality of virgin olive oils that involves an expert panel. There is an urgent need for analytical methodology that can reliably measure volatile compounds in virgin olive oils that is capable of supporting and anticipating the official Panel test. For this reason, a new method based on solid‐phase microextraction–gas chromatography with the choice of two possible detectors (FID or MS) was subjected to a large international interlaboratory validation study. The study involved a two‐stage process: first, a pretrial phase in which 7 participants were exposed to the method for the first time to identify any initial problems with the methodology; then, a formal validation stage (trial proper), which involved 20 laboratories from Europe, USA, Japan and China. The performance of the different detectors was investigated. While both methods have advantages, the method using FID provided better results for 11 compounds, in terms of reproducibility, compared to MS. This information will allow to implement the method with accurate information of the method performance depending on the detector used.Practical Applications: This study provides information from an interlaboratory validation of a method for measuring volatile compounds in virgin olive oils conducted with laboratories (from industry and academia) working in the olive oil sector. The information on the expected analytical errors in the determination of each volatile compound is necessary to apply this method for supporting the official Panel test (sensory analysis). The SPME‐GC‐MS/FID methods proposed in this work can be used for the internal quality control of a company/distributor/quality control laboratory and could also be used in cases of difficult/contradictory organoleptic assessment, or to confirm results from sensory panels in cases of disputes/disagreement (Reg. EU 2022/2105).
Globally Distributed Production and the Pricing of CME Commodity Futures
Authors: Merener Nicolas 
Published: October 2023

AbstractI investigate how local supply shocks in the globally distributed production of commodities are incorporated into Chicago Mercantile Exchange (CME) futures prices. I exploit that the soybean market share of the United States (Argentina) decreased (increased) between 1996 and 2010, and use rain, which tends to increase output, as a source of exogenous supply shocks. I find a significantly negative response of CME soybean prices to daily rain across regions and time. Moreover, the impact of local rain on the CME price is approximately linear in the time‐varying local share of global output. Therefore, traders of CME contracts seem to aggregate supply in a globally integrated manner and are exposed to globally distributed shocks. © 2013 Wiley Periodicals, Inc. Jrl Fut Mark 35:1–30, 2015
Neural correlates of cognitive control deficits in pediatric mild traumatic brain injury
Authors: van der Horn Harm J. , Dodd Andrew B. , Wick Tracey V. , Robertson‐Benta Cidney R. , McQuaid Jessica R. , Hittson Anne K. , Ling Josef M. , Zotev Vadim , Ryman Sephira G. , Erhardt Erik B. , Phillips John P. , Campbell Richard A. , Sapien Robert E. , Mayer Andrew R. 
Published: October 2023

AbstractThere is a growing body of research showing that cerebral pathophysiological processes triggered by pediatric mild traumatic brain injury (pmTBI) may extend beyond the usual clinical recovery timeline. It is paramount to further unravel these processes, because the possible long‐term cognitive effects resulting from ongoing secondary injury in the developing brain are not known. In the current fMRI study, neural processes related to cognitive control were studied in 181 patients with pmTBI at sub‐acute (SA; ~1 week) and early chronic (EC; ~4 months) stages post‐injury. Additionally, a group of 162 age‐ and sex‐matched healthy controls (HC) were recruited at equivalent time points. Proactive (post‐cue) and reactive (post‐probe) cognitive control were examined using a multimodal attention fMRI paradigm for either congruent or incongruent stimuli. To study brain network function, the triple‐network model was used, consisting of the executive and salience networks (collectively known as the cognitive control network), and the default mode network. Additionally, whole‐brain voxel‐wise analyses were performed. Decreased deactivation was found within the default mode network at the EC stage following pmTBI during both proactive and reactive control. Voxel‐wise analyses revealed sub‐acute hypoactivation of a frontal area of the cognitive control network (left pre‐supplementary motor area) during proactive control, with a reversed effect at the EC stage after pmTBI. Similar effects were observed in areas outside of the triple‐network during reactive control. Group differences in activation during proactive control were limited to the visual domain, whereas for reactive control findings were more pronounced during the attendance of auditory stimuli. No significant correlations were present between task‐related activations and (persistent) post‐concussive symptoms. In aggregate, current results show alterations in neural functioning during cognitive control in pmTBI up to 4 months post‐injury, regardless of clinical recovery. We propose that subacute decreases in activity reflect a general state of hypo‐excitability due to the injury, while early chronic hyperactivation represents a compensatory mechanism to prevent default mode interference and to retain cognitive control.
Veterinary assessment of behaviour cases in cats and dogs
Authors: Mills Daniel , Zulch Helen 
Published: October 2023

Background: Clients typically turn to their local veterinary practice as the first point of call when they are concerned about their pet's behaviour, unless they think it is purely a training problem. Therefore, it is essential that the whole veterinary team are aware of the medical considerations that can affect behaviour (including routine training). Many cases involve medical aspects which should be addressed as part of a multimodal approach to problem behaviour management, which may be the most efficient and effective way to support these cases.Aim of the article: This article outlines the medical considerations that should be made in first‐opinion practice when presented with a behaviour case in cats and dogs. It also discusses the role of the first‐opinion vet in case management and how good collaboration between the vet, a behavioural specialist and the pet owner can aid successful resolution.
Diagnosis and treatment of sheep scab
Authors: Burgess Stew , Stubbings Lesley 
Published: October 2023

Background: Sheep scab is a highly contagious disease which has a high economic and animal welfare impact on the UK sheep industry. Some resistance of the Psoroptes ovis mite to current endectocide treatments highlights the importance of identifying infection and then implementing targeted treatment.Aim of the article: This article describes the current situation and control options for sheep scab, highlighting the tools available for dealing with the disease and providing the latest best practice advice to enable effective scab control.
Asthma‐COPD overlap syndrome—Coexistence of chronic obstructive pulmonary disease and asthma in elderly patients and parameters for their differentiation
Authors: Tochino Yoshihiro , Asai Kazuhisa , Shuto Taichi , Hirata Kazuto 
Published: October 2023

AbstractJapan is an aging society, and the number of elderly patients with asthma and chronic obstructive pulmonary disease (COPD) is consequently increasing, with an estimated incidence of approximately 5 million. In 2014, asthma‐COPD overlap syndrome (ACOS) was defined by a joint project of Global Initiative for Asthma (GINA) committee and the Global Initiative for Chronic Obstructive Lung Disease (GOLD) committee. The main aims of this consensus‐based document are to assist clinicians, especially those in primary care or nonpulmonary specialties. In this article, we discussed parameters to differentiate asthma and COPD in elderly patients and showed prevalence, clinical features and treatment of ACOS on the basis of the guidelines of GINA and GOLD. Furthermore, we showed also referral for specialized investigations.
Effect of ultrasonic frequency on the structural and functional properties of pea protein isolation
Authors: Liu Libo , Miao Yu , Hu Chengwen , Gao Lu , He Weijia , Chu Hong , Zhang Tong , Li Chun , Guo Wenkui 
Published: October 2023

AbstractBACKGROUNDPea protein, as a by‐product of peas (Pisum sativum L.), is rich in a variety of essential amino acids that can meet the body's protein needs and is a valuable source of protein. Since the function of pea protein is closely related to its structure, pea protein has been subjected to different modifications in recent years to improve its application in food and to develop new products.RESULTSThe effects of sonication frequency (primary and secondary time) on pea protein isolate's (PPI's) structural and functional properties were investigated. Sodium dodecyl sulfate polyacrylamide gel electrophoresis demonstrated that different sonication frequencies at the same power (600 W) treatment had no effect on PPI's molecular weight. Fourier‐transform infrared spectroscopy revealed that treatment at different sonication frequencies caused secondary structural changes in PPI. The particle size distribution, foaming, stability, surface hydrophobicity, emulsification, and oxidation resistance of PPI were improved after primary and secondary sonication, but secondary sonication was not more effective than primary sonication for an extended period of time.CONCLUSIONOverall, ultrasound is able to improve the structural and functional properties of pea proteins within a suitable range. It provides a theoretical basis for elucidating the modification of the structure and function of plant proteins by ultrasound and lays the foundation for the development of plant proteins in food applications as well as development. © 2023 Society of Chemical Industry.
Rapid detection and quantification of adulteration in saffron by excitation–emission matrix fluorescence combined with multi‐way chemometrics
Authors: Chen Yue , Wu Hai‐Long , Wang Tong , Wu Juan‐Ni , Liu Bing‐Bing , Ding Yu‐Jie , Yu Ru‐Qin 
Published: October 2023

AbstractBACKGROUNDSaffron has gained people's attention and love for its unique flavor and valuable edible value, but the problem of saffron adulteration in the market is serious. It is urgent for us to find a simple and rapid identification and quantitative estimation of adulteration in saffron. Therefore, excitation–emission matrix (EEM) fluorescence combined with multi‐way chemometrics was proposed for the detection and quantification of adulteration in saffron.RESULTSThe fluorescence composition analysis of saffron and saffron adulterants (safflower, marigold and madder) were accomplished by alternating trilinear decomposition (ATLD) algorithm. ATLD and two‐dimensional principal component analysis combined with k‐nearest neighbor (ATLD‐kNN and 2DPCA‐kNN) and ATLD combined with data‐driven soft independent modeling of class analogies (ATLD‐DD‐SIMCA) were applied to rapid detection of adulteration in saffron. 2DPCA‐kNN and ATLD‐DD‐SIMCA methods were adopted for the classification of chemical EEM data, first with 100% correct classification rate. The content of adulteration of adulterated saffron was predicted by the N‐way partial least squares regression (N‐PLS) algorithm. In addition, new samples were correctly classified and the adulteration level in adulterated saffron was estimated semi‐quantitatively, which verifies the reliability of these models.CONCLUSIONATLD‐DD‐SIMCA and 2DPCA‐kNN are recommended methods for the classification of pure saffron and adulterated saffron. The N‐PLS algorithm shows potential in prediction of adulteration levels. These methods are expected to solve more complex problems in food authenticity. © 2023 Society of Chemical Industry.
Persistent underuse of extended venous thromboembolism prophylaxis in patients undergoing major abdominal cancer operations
Authors: Herb Joshua N. , Iwai Yoshiko , Dunham Lisette N. , Stitzenberg Karyn B. 
Published: October 2023

AbstractBackgroundGuidelines recommend extended venous thromboembolism (VTE) prophylaxis for high‐risk populations undergoing major abdominal cancer operations. Few studies have evaluated extended VTE prophylaxis in the Medicare population who are at higher risk due to age.MethodsWe performed a retrospective study using a 20% random sample of Medicare claims, 2012–2017. Patients ≥65 years with an abdominal cancer undergoing resection were included. Primary outcome was the proportion of patients receiving new extended VTE prophylaxis prescriptions at discharge. Secondary outcomes included postdischarge VTE and hemorrhagic events.ResultsThe study included 72 983 patients with a mean age of 75. Overall, 8.9% of patients received extended VTE prophylaxis. This proportion increased (7.2% in 2012, 10.6% in 2017; p < 0.001). Incidence of postdischarge hemorrhagic events was 1.0% in patients receiving extended VTE prophylaxis and 0.8% in those who did not. The incidence of postdischarge VTE events was 5.2% in patients receiving extended VTE prophylaxis and 2.4% in those who did not.ConclusionAdherence to guideline‐recommended extended VTE prophylaxis in high‐risk patients undergoing major abdominal cancer operations is low. The higher rate of VTE in the prophylaxis group may suggest we captured some therapeutic anticoagulation, which would mean the actual rate of thromboprophylaxis is lower than reported herein.