bluuebunny/crossref_metadata_2025_split huggingface dataset:
Untargeted metabolomics reveals the mechanism of quercetin enhancing the bioavailability of ticagrelor
Authors: Zhang Weijie , Sun Yaxin , Wei Shuangyan , Wei Bo , Xu Xia , Tang Youcai 
Published: June 2021

AbstractTicagrelor is a first‐line clinical drug for the treatment of acute coronary syndrome, but its oral bioavailability is relatively low. Flavonoids (polyphenol compounds commonly found in plant foods) seriously affect human metabolism and health. This study compared the effects of quercetin, luteolin and catechin on the pharmacokinetic parameters of ticagrelor and found that quercetin can significantly increase the Cmax and area under the curve from time zero to 36 h (AUC0–36) of ticagrelor, that is, quercetin can enhance the bioavailability of ticagrelor, but luteolin and catechin cannot. The difference between the ticagrelor group and the combination of quercetin and ticagrelor was analyzed through untargeted metabolomics methods and multivariate data analysis, which identified changes in the levels of seven metabolites (deoxycholic acid, taurocholic acid, glycocholic acid, glycoursodeoxycholic acid, tryptophan, phenylalanine and kynurenine). Based on the changes of these metabolites, we found that the metabolic pathways of phenylalanine, tyrosine and tryptophan and the biosynthetic pathway of bile acids were changed. A metabolomics study revealed that quercetin improves the oral bioavailability of ticagrelor and that this might rely on changing the metabolic pathways of phenylalanine, tyrosine and tryptophan and the biosynthetic pathway of bile acids. The research results at the metabolic level provide us with a strong basis and direction for further exploring the mechanism underlying quercetin’s ability to enhance the bioavailability of ticagrelor, and this may be useful for finding new agents that enhance the bioavailability.
Recent Developments and Challenges for the Industrial Implementation of Polyphosphate Kinases
Authors: Tavanti Michele , Hosford Joseph , Lloyd Richard C. , Brown Murray J. B. 
Published: June 2021

AbstractPolyphosphate kinases (PPKs) have emerged as valuable candidates to address the unmet need for scalable recycling of the common enzyme cofactor adenosine‐5’‐triphosphate (ATP) because they use cheap, freely available and stable polyphosphate (polyP) salts as the phosphate donor. The aim of this review is not only to present recent efforts in the characterisation of PPKs but also to provide an overview of the challenges associated with their implementation in chemical manufacturing. In assessing the current status of polyP‐driven biocatalysts, we identify gaps that need to be filled for successful adoption of these biocatalysts in industry. Guidelines for a wider adoption of PPKs are also provided.
Enantioselective Construction of Tertiary C(sp3)−P Bonds by Thiourea‐based Bifunctional Phosphonium Salt‐catalyzed Hydrophosphonylation of Ketone Compounds
Authors: Feng Zhenghuai , Zhang Hongkui , Ren Xiaoyu , Jiang Chunhui , Gao Guowei , Wang Tianli 
Published: June 2021

AbstractAsymmetric hydrophosphonylation of carbonyl compounds to generate a variety of optically pure quaternary α‐hydroxy phosphonate molecules is herein described by thiourea‐derived bifunctional phosphonium salt catalysis. This new synthetic protocol has an excellent functional group tolerance, and particularly both aromatic, heteroaromatic and aliphatic α‐ketoesters and 1,2‐diketones were readily transferred into phosphonate products in high yields (up to 99 %) with excellent enantioselectivities (up to 97 % ee). The mechanistic results suggested that both ion pair and hydrogen‐bonding interactions were crucial in asymmetric induction.
Factors Controlling the Aluminum(I)‐meta‐Selective C−H Activation in Arenes
Authors: Cabrera‐Trujillo Jorge Juan , Fernández Israel 
Published: June 2021

AbstractThe so far poorly understood factors controlling the completemeta‐selectivity observed in the C−H activation reactions of alkylarenes promoted by aluminyl anions have been explored in detail by means of Density Functional Theory calculations. To this end, a combination of state‐of‐the‐art computational methods, namely the activation strain model of reactivity and energy decomposition analysis, has been applied to quantitatively unveil the origin of the selectivity of the transformation as well as the influence of the associated potassium cation. It is found that the selectivity takes place during the initial nucleophilic addition step where the key LP(Al)→π*(C=C) molecular orbital interaction is more stabilizing for themeta‐pathway, which results in a stronger interaction between the reactants along the entire transformation.
Artificial intelligence‐based process control in chemical, biochemical, and biomedical engineering
Authors: Dutta Debaprasad , Upreti Simant R. 
Published: June 2021

AbstractIn the last three decades, artificial intelligence (AI) has been increasingly and vigorously utilized for process control in chemical, biochemical, and biomedical engineering. These disciplines frequently involve fairly sophisticated processes under risks of operational upsets, and thus have an ever increasing demand of superior control strategies. As the deployment of AI in process control pushes the limits in this regard, the research advances, which are multitudinous and varied, need to be assimilated and organized to help promote further utilization and progress in the field. To that end, we examine more than 280 relevant research publications, and systematically collate the information. The AI‐based technologies are classified, and their over‐arching control paradigm is presented. Common AI‐based control technologies are then presented, which are based on expert systems, fuzzy logic, artificial neural networks, nature‐inspired algorithms, and hybrid approaches. Their working principles, types, and implementations are summarized along with advantages, limitations, and comparisons, if available. Important applications in the above disciplines are included with the help of tables that capture important details. A discussion is also provided on advanced and newly emerging AI‐based control technologies with pertinent applications. Overall trends are analyzed, and future prospects are identified based on the survey.
Interaction between race and prostate cancer treatment benefit in the Veterans Health Administration
Authors: Rude Temitope , Walter Dawn , Ciprut Shannon , Kelly Matthew D. , Wang Chan , Fagerlin Angela , Langford Aisha T. , Lepor Herbert , Becker Daniel J. , Li Huilin , Loeb Stacy , Ravenell Joseph , Leppert John T. , Makarov Danil V. 
Published: June 2021

BackgroundStudies have demonstrated that Black men may undergo definitive prostate cancer (CaP) treatment less often than men of other races, but it is unclear whether they are avoiding overtreatment of low‐risk disease or experiencing a reduction in appropriate care. The authors' aim was to assess the role of race as it relates to treatment benefit in access to CaP treatment in a single‐payer population.MethodsThe authors used the Veterans Health Administration (VHA) Corporate Data Warehouse to perform a retrospective cohort study of veterans diagnosed with low‐ or intermediate‐risk CaP between 2011 and 2017.ResultsThe authors identified 35,427 men with incident low‐ or intermediate‐risk CaP. When they controlled for covariates, Black men had 1.05 times the odds of receiving treatment in comparison with non‐Black men (P < .001), and high‐treatment‐benefit men had 1.4 times the odds of receiving treatment in comparison with those in the low‐treatment‐benefit group (P < .001). The interaction of race and treatment benefit was significant, with Black men in the high‐treatment‐benefit category less likely to receive treatment than non‐Black men in the same treatment category (odds ratio, 0.89; P < .001).ConclusionsAlthough race does appear to influence the receipt of definitive treatment in the VHA, this relationship varies in the context of the patient's treatment benefit, with Black men receiving less definitive treatment in high‐benefit situations. The influence of patient race at high treatment benefit levels invites further investigation into the driving forces behind this persistent disparity in this consequential group.
Retracted: An integrated framework for COVID‐19 classification based on classical and quantum transfer learning from a chest radiograph
Authors: Umer Muhammad Junaid , Amin Javeria , Sharif Muhammad , Anjum Muhammad Almas , Azam Faisal , Shah Jamal Hussain 
Published: June 2021

SummaryCOVID‐19 is a quickly spreading over 10 million persons globally. The overall number of infected patients worldwide is estimated to be around 133,381,413 people. Infection rate is being increased on daily basis. It has also caused a devastating effect on the world economy and public health. Early stage detection of this disease is mandatory to reduce the mortality rate. Artificial intelligence performs a vital role for COVID‐19 detection at an initial stage using chest radiographs. The proposed methods comprise of the two phases. Deep features (DFs) are derived from its last fully connected layers of pre‐trained models like AlexNet and MobileNet in phase‐I. Later these feature vectors are fused serially. Best features are selected through feature selection method of PCA and passed to the SVM and KNN for classification. In phase‐II, quantum transfer learning model is utilized, in which a pre‐trained ResNet‐18 model is applied for DF collection and then these features are supplied as an input to the 4‐qubit quantum circuit for model training with the tuned hyperparameters. The proposed technique is evaluated on two publicly available x‐ray imaging datasets. The proposed methodology achieved an accuracy index of 99.0% with three classes including corona virus‐positive images, normal images, and pneumonia radiographs. In comparison to other recently published work, the experimental findings show that the proposed approach outperforms it.
Photoactivatable Small‐Molecule Inhibitors for Light‐Controlled TAM Kinase Activity
Authors: Le Bescont Julie , Mouawad Liliane , Boddaert Thomas , Bombard Sophie , Piguel Sandrine 
Published: June 2021

AbstractThe TAM kinase family arises as a promising therapeutic target for cancer therapy, as well as auto‐immune and viral diseases. In this study, we report the first photoactivatable caged inhibitors of Tyro3 and Mer. This strategy enables spatial and temporal control of the biological activity of the inhibitor upon irradiation with UV light. We describe the design, synthesis, photocleavage properties, and inhibitory activities of four Tyro3 and Mer photoactivatable small molecules. The proof of concept on the TAM kinase family was achieved in vitro, since irradiation by UV light restored the full inhibitory activity of two prodrugs.
Role of microRNAs in oncogenesis: Insights from computational and systems‐level modeling approaches
Authors: Govindaraj Vinodhini , Kar Sandip 
Published: June 2021

AbstractMicroRNAs (miRNAs) often govern the cell fate decision‐making events associated with oncogenesis. miRNAs repress the target genes either by degrading the target mRNA or inhibiting the process of translation. However, mathematical and computational modeling of miRNA‐mediated target gene regulation in various cellular network motifs indicates that miRNAs play a much more complex role in cellular decision‐making events. In this review, we give an overview of the quantitative insights obtained from mathematical modeling of miRNA‐mediated gene regulations by highlighting the various factors associated with it that are pivotal in diversifying the cell fate decisions related to oncogenesis. Intriguingly, recent experiments suggest that under certain circumstances, miRNAs can lead to more complex gene regulatory dynamics by causing target gene upregulation. We discuss these modeling approaches that can help in understanding the subtleties of miRNA effects in oncogenesis.
Bactericidal fully human single‐chain fragment variable antibodies protect mice against methicillin‐resistant Staphylococcusaureus bacteraemia
Authors: Soltanmohammadi Behnoush , Piri‐Gavgani Somayeh , Basardeh Eilnaz , Ghanei Mostafa , Azizi Masoumeh , Khaksar Zabihollah , Sharifzadeh Zahra , Badmasti Farzad , Soezi Mahdieh , Fateh Abolfazl , Azimi Parisa , Siadat Seyed Davar , Shooraj Fahimeh , Bouzari Saeid , Omrani Mir Davood , Rahimi‐Jamnani Fatemeh 
Published: June 2021

AbstractObjectivesThe increasing prevalence of antibiotic‐resistant Staphylococcus aureus, besides the inadequate numbers of effective antibiotics, emphasises the need to find new therapeutic agents against this lethal pathogen.MethodsIn this study, to obtain antibody fragments against S. aureus, a human single‐chain fragment variable (scFv) library was enriched against living methicillin‐resistant S. aureus (MRSA) cells, grown in three different conditions, that is human peripheral blood mononuclear cells with plasma, whole blood and biofilm. The antibacterial activity of scFvs was evaluated by the growth inhibition assay in vitro. Furthermore, the therapeutic efficacy of anti‐S. aureus scFvs was appraised in a mouse model of bacteraemia.ResultsThree scFv antibodies, that is MEH63, MEH158 and MEH183, with unique sequences, were found, which exhibited significant binding to S. aureus and reduced the viability of S. aureus in in vitro inhibition assays. Based on the results, MEH63, MEH158 and MEH183, in addition to their combination, could prolong the survival rate, reduce the bacterial burden in the blood and prevent inflammation and tissue destruction in the kidneys and spleen of mice with MRSA bacteraemia compared with the vehicle group (treated with normal saline).ConclusionThe combination therapy with anti‐S. aureus scFvs and conventional antibiotics might shed light on the treatment of patients with S. aureus infections.
Fluoxetine results in misleading conclusions on fish behavior
Authors: Grzesiuk Malgorzata , Pawelec Alicja 
Published: June 2021

AbstractFluoxetine is an antidepressant medicine causing relaxation and mood improvement in people, with silencing certain personality traits in some cases. The question arise if such phenomena can be observed in nontarget organisms such as fish. Fluoxetine affects fishes behavior; however, it is not known if the medicine affects its “personality.” This study aimed to evaluate the reaction of the invasive Neogobius fluviatilis and native Gobio gobio individuals to fluoxetine at environmental concentration of 360 ng/L. We prepared three variants of the experiments: (a) behavioral trials with unexposed fishes, (b) behavioral trials with the same fishes after 21 days of fluoxetine exposure, and (c) behavioral trials with the same fishes after 21‐day depuration period, that is, without fluoxetine. The fishes reaction time (RT), that is, difference in time spent on reaching food with and without the necessity of overcoming the obstacle, was analyzed. Additionally, the personality, bold or shy, traits of each fish individual, was assigned. The results indicated that environmental concentrations of the antidepressant influenced RT. The average RT of the fishes cultured with fluoxetine was by 7‐min shorter in comparison with the nonexposed control. Share of individuals exposed to fluoxetine assigned as bold raised to 71.4% in comparison with 46.4% in nonexposed control. This sheds new light on wild fishes behavior caught from freshwater. Environmental concentrations of the antidepressant influenced the time of fishes reaction and share individuals assigned as bold. Moreover, 21‐day recovery lasting might be not enough to get fluoxetine effect on fishes.
Incongruent long‐term trends of a marine consumer and primary producers in a habitat affected by nutrient pollution
Authors: Long Christopher A. , Chabot Ryan M. , El‐Khazen Mia N. , Kelley Jake R. , Mollet‐Saint Benoît Céline , Mansfield Katherine L. 
Published: June 2021

AbstractNutrient pollution, defined as excess nitrogen and phosphorus related to human activities, is a widespread anthropogenic impact that decreases water quality and limits light penetration in estuarine habitats. These factors can lead to shifts in primary producer communities, but the association between these changes and marine consumer patterns of abundance and growth is relatively unknown. Understanding these relationships is necessary for herbivorous species of conservation concern like the green turtle (Chelonia mydas). We used generalized additive models to analyze concurrent 18‐yr data sets of seagrass cover, drift macroalgae cover, juvenile green turtle abundance, and growth to (1) evaluate long‐term trends in primary producer cover and green turtle demographics; and (2) gain insights into their interrelatedness at a study site known to be affected by nutrient pollution throughout the study period. We found that seagrass cover sharply declined during our study period while macroalgae cover was more resilient with trends varying over time. Juvenile green turtle abundance slowly declined throughout the study period with altered intra‐annual trends, while growth rates remained relatively stable. The incongruence of these trends suggests that relationships between marine consumers and nutrient pollution are more complex than effects on food availability alone. Our results focus on the green turtle but highlight the need for greater understanding of relationships between marine consumer species and nutrient pollution at both local and regional scales.
Multiparameter diagnostic sensor measurements in heart failure patients presenting with SARS‐CoV‐2 infection
Authors: Gardner Roy S. , Capodilupo Robert C. , Ahmed Rezwan , Stolen Craig M. , An Qi , Averina Viktoria , Hernandez Adrian F. , Boehmer John P. 
Published: June 2021

AbstractAimsImplantable device‐based sensor measurements including heart sounds, markers of ventilation, and thoracic impedance have been shown to predict heart failure (HF) hospitalizations. We sought to assess how these parameters changed prior to COVID‐19 (Cov‐19) and how these compared with those presenting with decompensated HF or pneumonia.Methods and resultsThis retrospective analysis explores patterns of changes in daily measurements by implantable sensors in 10 patients with Cov‐19 and compares these findings with those observed prior to HF (n = 88) and pneumonia (n = 12) hospitalizations from the MultiSENSE, PREEMPT‐HF, and MANAGE‐HF trials. The earliest sensor changes prior to Cov‐19 were observed in respiratory rate (6 days) and temperature (5 days). There was a three‐fold to four‐fold greater increase in respiratory rate, rapid shallow breathing index, and night heart rate compared with those presenting with HF or pneumonia. Furthermore, activity levels fell more in those presenting with Cov‐19, a change that was often sustained for some time. In contrast, there were no significant changes in 1st or 3rd heart sound (S1 and S3) amplitude in those presenting with Cov‐19 or pneumonia compared with the known changes that occur in HF decompensation.ConclusionsMulti‐sensor device diagnostics may provide early detection of Cov‐19, distinguishable from worsening HF by an extreme and fast rise in respiratory rate along with no changes in S3.
Perfluorooctane Sulfonate in US Ambient Surface Waters: A Review of Occurrence in Aquatic Environments and Comparison to Global Concentrations
Authors: Jarvis Amanda L. , Justice James R. , Elias Michael C. , Schnitker Brian , Gallagher Kathryn 
Published: June 2021

Abstract
Perfluorooctane sulfonate (PFOS) is one of the dominant perfluoroalkyl substances (PFAS) detected in aquatic ecosystems. It has been used in a wide range of industrial and consumer products for decades. The unique properties of PFOS, including its stability and resistance to degradation, have made it highly persistent in the aquatic environment. Because of its persistence, potential toxicity, and occurrence in aquatic ecosystems, interest in PFOS has increased in recent decades. Despite this interest, current information on the environmental distribution of PFOS in ambient surface waters of the United States is fairly limited. This critical review summarizes the currently available literature on PFOS occurrence in surface waters across the United States and highlights existing data gaps. Available data are largely from a handful of study areas with known PFAS manufacturing or industrial uses, with much of the data collected from freshwater systems in eastern states and the upper Midwest. Measured PFOS concentrations in surface waters vary widely, over 8 orders of magnitude, with the highest concentrations occurring downstream from manufacturing and industrial use plants, areas near aqueous film-forming foam–use sites, and sites where PFOS precursors were used in textile treatment. Non–point source–related occurrences are highest near urbanized areas with high population densities. Current data illustrate the occurrence of PFOS in surface waters across multiple US states. Additional data are needed to better understand PFOS occurrence in US aquatic ecosystems, particularly in estuarine and marine systems and where monitoring data are not available (e.g., southwestern, central, and western United States). Additional PFOS occurrence data would provide valuable information on potential spatial and temporal variability in surface waters and possible risks posed to aquatic ecosystems. Environ Toxicol Chem 2021;40:2425–2442. Published 2021. This article is a U.S. Government work and is in the public domain in the USA.
A fog‐based fault‐tolerant and QoE‐aware service composition in smart cities
Authors: Hosseini Bidi Arshia , Movahedi Zahra , Movahedi Zeinab 
Published: June 2021

AbstractNowadays, the smart city trend has attracted an important number of municipalities, enabling to control and manage smartly the city environment and provide the citizens with value‐added urban services. In this regard, Internet of Things and fog computing play a key role in providing smart city services, simplifying the decision making for city authorities and improving the quality of experience (QoE) for citizens. In this article, we address the problem of selecting appropriate urban service providers and their sequencing given the citizen request for a set of urban services (eg, banks, laundries, carwashes, gas stations, bakeries) considering a number of quality metrics. This latter can be translated into a service composition problem with the aim of optimizing the QoE of citizens, the load of service providers and the roads traffic. In such a context, the first contribution of this article consists of proposing a fog‐based fault‐tolerant architecture capable to address the scalability and reliability issues of smart cities, while processing efficiently and reactively the service composition requests of citizens. In addition, we map the QoE‐aware service composition problem in smart cities to a generalized traveling salesman problem and propose three metaheuristics based on genetic algorithms, particle swarm optimization, and artificial bee colony to solve this problem in a timely manner. The results obtained based on the developed prototype of our proposal demonstrate the superiority of our proposed approach compared with other existing service composition alternatives.