bluuebunny/crossref_metadata_2025_split huggingface dataset:
US patterns of care for urodynamic evaluation for BPH
Authors: Sze Christina , Zhang Tenny R. , Dreyfuss Leo , DeMeo Gina , Thorogood Samantha L. , Chughtai Bilal , Te Alexis E. , Lee Richard K. , Hu Jim C. 
Published: July 2023

AbstractIntroductionPractice patterns around the use of urodynamic evaluation (UDS) for benign prostatic hyperplasia (BPH) surgery are largely undefined. As such, we investigated factors associated with the use of UDS for BPH.MethodsWe used American Board of Urology case log data from 2008 to 2020, to compare patient‐ and surgeon‐sided factors associated with UDS utilization and BPH surgeries. We performed logistic regression models to identify factors independently associated with UDS usage for BPH.ResultsAmong urologists performing UDS, the majority (80%) self‐identified as general urologists and practiced in a private practice group (69%). Compared with urologists who performed no UDS, urologists who performed any UDS for BPH were more likely to be from the Mid‐Atlantic (20.3% vs. 10.6%, p < 0.01) and practice in regions with populations of >1 000 000 (34.7% vs. 28.5%, p < 0.01). Overall, UDS utilization declined over time (odds ratio [OR]: 0.95 year‐to‐year, 95% confidence interval [CI]: 0.91–0.99). In adjusted analyses, the odds of performing UDS was higher among male (OR: 2.19, 95% CI: 1.17–4.09), older (OR: 1.05, 95% CI: 1.03–1.06), and female pelvic medicine and reconstructive surgery subspecialty (OR: 3.23, 95% CI: 2.01–5.2) urologists. Additionally, performing UDS for BPH was associated with higher BPH surgical case volume (OR: 1.004, 95% CI: 1.001–1.008).ConclusionThere is a significant practice variation in use of UDS for BPH. Although overall BPH surgeries are increasing, urologists are increasingly less likely to perform UDS for BPH. Specifically, urologists who perform UDS have significantly higher BPH case volume than those who do not perform UDS, suggesting that UDS usage may not factor into BPH surgery decision‐making.
An in‐silico‐based study identified peptide inhibitors that can block the egression of the monkeypox virus by inhibiting the p37 protein target
Authors: Singh Swati , Srivastava Varshita , Godara Priya , Banavath Hemanth Naick , Tak Harshita , Nayak Arya , Kumari Deepika , Naik Biswajit , Prusty Dhaneswar 
Published: July 2023

AbstractMonkeypox is a zoonotic disease caused by the Poxviridiea family virus Monkeypox. According to the Centers for Disease Control and Prevention, 70,420 monkeypox virus infections had been reported in 107 countries as of October 6, 2022. New studies have concluded that the monkeypox outbreak is caused by a strain with a unique mutation, increasing the possibility that the virus may develop resistance to current medicines by accumulating mutations in therapeutic targets. As peptide‐based therapeutics impede the drug target through multiple interactions, it may offer a better therapeutic solution to the possible drug resistance issue related to monkeypox treatment. Therefore, in this work, we screened an antiviral peptide library, the CPP site 2.0 database, against the p37 target protein using molecular docking approaches. The p37 is required for the viral pathogen's successful egression and spread. The allergenicity and physicochemical properties of the peptides were thoroughly analyzed before the molecular docking studies for selecting druggable candidates. The interactions of the peptides bearing the highest docking score were validated further by using molecular dynamics (MD) simulation studies. Our investigation revealed that two cell‐penetrating peptides of the CPP site 2.0 database might effectively prevent the egression and spread of the MPXV by inhibiting p37. Following more testing, these peptides can be explored in developing peptide‐based therapies against the MPX therapy.
Use of insect pest thresholds in oilseed rape and cereals: is it worth it?
Authors: Thiel Lukas , Mergenthaler Marcus , Wutke Martin , Haberlah‐Korr Verena 
Published: July 2023

AbstractBackgroundIntegrated pest management (IPM) uses thresholds to minimize pesticide use, and field monitoring of damaging organisms is an important component to evaluate whether or not thresholds have been breached. However, monitoring requires time and knowledge which impacts costs and benefits. In this study, we evaluated the effects of using insect pest thresholds on time effort, frequency of insecticide treatment and economics in comparison with common farm practices (business as usual) in winter wheat (WW), winter barley (WB) and winter oilseed rape (OSR). This study was done over 2 years (2018 to 2020) on 24 conventionally managed farms in North Rhine‐Westphalia (Germany).ResultsFarmers spent significantly more time (42 min ha−1/season) monitoring insect pests in OSR than in WW (16 min ha−1/season) and WB (19 min ha−1/season). The use of insecticides in OSR was significantly reduced by 42% in comparison to business as usual. In cereal crops, the use of insecticide treatment was reduced by 50% but this was not significantly different to business as usual. Yields were not significantly reduced when crops were managed in accordance with IPM, and negative differences were small and not significant. However, economically, the costs of monitoring can only be recovered when labor costs and commodity prices are low and insecticide cost is high.ConclusionInsect pest thresholds can help link the policy and environmental goals of insecticide reduction and the agronomic goal of production security. In the future, the time and cost required for monitoring should be reduced through intelligent solutions and tools, increasing the economic viability of monitoring and IPM. © 2023 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Seasonal influence on respiratory tract infection severity including COVID‐19 quantified through Markov Chain modeling
Authors: van Wijk Rob C. , Mockeliunas Laurynas , Upton Caryn M. , Peter Jonathan , Diacon Andreas H. , Simonsson Ulrika S. H. 
Published: July 2023

AbstractRespiratory tract infections (RTIs) are a burden to global health, but their characterization is complicated by the influence of seasonality on incidence and severity. The Re‐BCG‐CoV‐19 trial (NCT04379336) assessed BCG (re)vaccination for protection from coronavirus disease 2019 (COVID‐19) and recorded 958 RTIs in 574 individuals followed over 1 year. We characterized the probability of RTI occurrence and severity using a Markov model with health scores (HSs) for four states of symptom severity. Covariate analysis on the transition probability between HSs explored the influence of demographics, medical history, severe acute respiratory syndrome‐coronavirus 2 (SARS‐CoV‐2), or influenza vaccinations, which became available during the trial, SARS‐CoV‐2 serology, and epidemiology‐informed seasonal influence of infection pressure represented as regional COVID‐19 pandemic waves, as well as BCG (re)vaccination. The infection pressure reflecting the pandemic waves increased the risk of RTI symptom development, whereas the presence of SARS‐CoV‐2 antibodies protected against RTI symptom development and increased the probability of symptom relief. Higher probability of symptom relief was also found in participants with African ethnicity and with male biological gender. SARS‐CoV‐2 or influenza vaccination reduced the probability of transitioning from mild to healthy symptoms. Model diagnostics over calendar‐time indicated that COVID‐19 cases were under‐reported during the first wave by an estimated 2.76‐fold. This trial was performed during the initial phase of the COVID‐19 pandemic in South Africa and the results reflect that situation. Using this unique clinical dataset of prospectively studied RTIs over the course of 1 year, our Markov Chain model was able to capture risk factors for RTI development and severity, including epidemiology‐informed infection pressure.
Regioselectivity of CH activation in cytochrome P450‐catalyzed intramolecular cyclization of alkylamine compounds
Authors: Qin Dan , Dong Lu , Jiang Xue , Yang Lijun 
Published: July 2023

AbstractThe reaction mechanism of cytochrome P450‐mediated intramolecular cyclization of 2‐aminoamide compounds to imidazolinone was studied by density functional theory. The cyclization reaction involves three steps: hydrogen abstraction, dehydration of intermediates to zwitterions and final ring closure. Interestingly, high spin (HS) state P450‐catalyzed dehydration exhibits a mechanism distinct from conventional processes such as in low spin state. In HS pathways, the hydroxyl group after hydrogen abstraction does not rebound but produce an intermediate, which makes the second hydrogen abstraction regioselective. Regioselectivity leads to diverse intermediates and mechanisms to zwitterion, which implies different functions of the high and low spin states P450. The alkylamine nitrogen and amide group are key groups to enables regioselectivity of in HS pathway. Small changes of molecular structure can affect the molecular transformation process, indicating the complex regulation of electronic state to reaction process. The results lay the theoretical basis for the regioselectivity determined by P450 enzyme and substrate structure together. The research establishes a foundation for the drug design, drug metabolite, and synthesis of nitrogen‐containing heterocyclic drugs.
Flexible Control of Phase and Polarization based on All‐Dielectric Metamaterials
Authors: Ke Lan , Li Chenxia , Zhang Simeng , Fang Bo , Tang Ying , Hong Zhi , Jing Xufeng 
Published: July 2023

AbstractA metasurface is a planar structure that can flexibly control the polarization, phase, and amplitude of incident electromagnetic waves. An all‐dielectric hexagonal cell structure to reduce the interaction between cells and achieve efficient parametric regulation of electromagnetic waves is proposed. The single resonant transmission phase and the geometric phase are superimposed to realize the composite phase unit structure and construct a multifunctional flat metasurface device. The designed metasurface can flexibly tune the phase and polarization of incident electromagnetic waves and enable multifunctional integration phenomena, such as polarization separation, light intensity convergence, and vector light generation, on a single metasurface.
Impermeable Graphene Skin Increases the Heating Efficiency and Stability of an MXene Heating Element
Authors: Kang Dong Jun , Lee Ki Hyun , Noh Sung Hyun , Shin Hwansoo , Jeong Woojae , Lee Hyeonhoo , Seo Yeongbhin , Han Tae Hee 
Published: July 2023

AbstractA Joule heater made of emerging 2D nanosheets, i.e., MXene, has the advantage of low‐voltage operation with stable heat generation owing to its highly conductive and uniformly layered structure. However, the self‐heated MXene sheets easily get oxidized in warm and moist environments, which limits their intrinsic heating efficiencies. Herein, an ultrathin graphene skin is introduced as a surface‐regulative coating on MXene to enhance its oxidative stability and Joule heating efficiency. The skin layer is deposited on MXene using a scalable solution‐phased layer‐by‐layer assembly process without deteriorating the excellent electrical conductivity of the MXene. The graphene skin comprises narrow and hydrophobic channels, which results in ≈70 times higher water impermeability of the hybrid film of graphene and MXene (GMX) than that of the pristine MXene. A complementary electrochemical analysis confirms that the graphene skin facilitates longer‐lasting protection than conventional polymer coatings owing to its tortuous pathways. In addition, the sp2 planar carbon surface with a low heat loss coefficient improves the heating efficiency of the GMX, indicating that this strategy is promising for developing adaptive heating materials with a tractable voltage range and high Joule heating efficiency.
Guest‐Stimulated Nonplanar Porphyrins in Flexible Metal−Organic Frameworks
Authors: Xu Qian , Chen Jishi , Wang Yujun , Wang Dongjuan , Xu Xianzhen , Xia Jianfei , Zhang Kou‐Lin , Zhou Xin , Fan Weidong , Wang Zonghua , Hou Chuantao , Sun Daofeng 
Published: July 2023

AbstractNonplanar porphyrins with out‐of‐plane distortions play crucial roles in many biological functions and chemical applications. The artificial construction of nonplanar porphyrins usually involves organic synthesis and modification, which is a highly comprehensive approach. However, incorporating porphyrins into guest‐stimulated flexible systems allows to manipulate the porphyrin distortion through simple ad/desorption of guest molecules. Here, a series of porphyrinic zirconium metal−organic frameworks (MOFs) is reported that exhibit guest‐stimulated breathing behavior. X‐Ray diffraction analysis and skeleton deviation plots confirm that the material suffers from porphyrin distortion to form a ruffled geometry under the desorption of guest molecules. Further investigation reveals that not only the degree of nonplanarity can be precisely manipulated but also the partial distortion of porphyrin in a single crystal grain can be readily achieved. As Lewis acidic catalyst, the MOF with nonplanar Co‐porphyrin exhibits active properties in catalyzing CO2/propylene oxide coupling reactions. This porphyrin distortion system provides a powerful tool for manipulating nonplanar porphyrins in MOFs with individual distortion profiles for various advanced applications.
Mimicking Metalloenzyme Microenvironments in the Transition Metal‐Single Atom Catalysts for Electrochemical Hydrogen Peroxide Synthesis in an Acidic Medium
Authors: Muthusamy Saravanakumar , Sabhapathy Palani , Raghunath Putikam , Sabbah Amr , Chang Yu‐Chung , Krishnamoorthy Vimal , Ho Thi‐Thong , Chiou Jau‐Wern , Lin Ming‐Chang , Chen Li‐Chyong , Chen Kuei‐Hsien 
Published: July 2023

AbstractElectrochemical reduction of oxygen into hydrogen peroxide in an acidic medium offers an energy‐efficient and green H2O2synthesis as an alternative to the energy‐intensive anthraquinone process. Unfortunately, high overpotential, low production rates, and fierce competition from traditional four‐electron reduction limit it. In this study, a metalloenzyme‐like active structure is mimicked in carbon‐based single‐atom electrocatalysts for oxygen reduction to H2O2. Using a carbonization strategy, the primary electronic structure of the metal center with nitrogen and oxygen coordination is modulated, followed by epoxy oxygen functionalities close to the metal active sites. In an acidic medium, CoNOC active structures proceed with greater than 98% H2O2selectivity (2e−/2H+) rather than CoNC active sites that are selective to H2O (4e−/4H+). Among all MNOC (M = Fe, Co, Mn, and Ni) single‐atom electrocatalysts, the CoNOC is the most selective (> 98%) for H2O2production, with a mass activity of 10 A g−1at 0.60 V vs. RHE. X‐ray absorption spectroscopy is used to identify the formation of unsymmetrical MNOC active structures. Experimental results are also compared to density functional theory calculations, which revealed that the structure‐activity relationship of the epoxy‐surrounded CoNOC active structure reaches optimum (ΔG*OOH) binding energies for high selectivity.
Autoradiographic characterization of [18F]PSMA‐1007 binding in rat brain
Authors: Thomsen Majken B. , Landau Anne M. , Bender Dirk , Cumming Paul 
Published: July 2023

AbstractCarboxypeptidase II (CBPII) in brain metabolizes the neuroactive substance N‐acetyl‐L‐aspartyl‐L‐glutamate (NAGG) to yield the elements of glutamate and N‐acetyl‐aspartate (NAA). In peripheral organs, CBPII is known as prostrate specific membrane antigen (PSMA), which presents an important target for nuclear medicine imaging in prostate cancer. Available PSMA ligands for PET imaging do not cross the blood–brain barrier, and there is scant knowledge of the neurobiology of CBPII, despite its implication in the regulation of glutamatergic neurotransmission. In this study we used the clinical PET tracer [18F]‐PSMA‐1007 ([18F]PSMA) for an autoradiographic characterization of CGPII in rat brain. Ligand binding and displacement curves indicated a single site in brain, with KD of about 0.5 nM, and Bmax ranging from 9 nM in cortex to 19 nM in white matter (corpus callosum and fimbria) and 24 nM in hypothalamus. The binding properties of [18F]PSMA in vitro should enable its use for autoradiographic investigations of CBPII expression in animal models of human neuropsychiatric conditions.
Morphological trait evolution inSolanum(Solanaceae): Evolutionary lability of key taxonomic characters
Authors: Hilgenhof Rebecca , Gagnon Edeline , Knapp Sandra , Aubriot Xavier , Tepe Eric J. , Bohs Lynn , Giacomin Leandro L. , Gouvêa Yuri F. , Martine Christopher T. , Orejuela Andrés , Orozco Clara Inés , Peralta Iris E. , Särkinen Tiina 
Published: July 2023

AbstractSolanumis one of the world's largest and economically most important plant genera, including 1245 currently accepted species and several major and minor crops (e.g., tomato, potato, brinjal eggplant, scarlet eggplant, Gboma eggplant, lulo, and pepino). Here we provide an overview of the evolution of 25 key morphological traits for the major and minor clades of this giant genus based on stochastic mapping using a well‐sampled recently published phylogeny ofSolanum. The most evolutionarily labile traits (showing >100 transitions across the genus) relate to plant structure (growth form and sympodial unit structure), herbivore defence (glandular trichomes), pollination (corolla shape and colour), and dispersal (fruit colour). Ten further traits show evolutionary lability with 50–100 transitions across the genus (e.g., specialised underground organs, trichome structure, leaf type, inflorescence position and branching, stamen heteromorphism). Our results reveal a number of highly convergent traits inSolanum, including tubers, rhizomes, simple leaves, yellow corollas, heteromorphic anthers, dioecy, and dry fruits, and some unexpected pathways of trait evolution that could be explored in future studies. We show that informally named clades ofSolanumcan be morphologically defined by trait combinations providing a tool for identification and enabling predictive phylogenetic placement of unsampled species.
Barriers and solutions to Alzheimer's disease clinical trial participation for Black Americans
Authors: Savold Jordan , Cole Michele , Thorpe Roland J. 
Published: July 2023

AbstractIntroductionBlack Americans are disproportionately burdened by Alzheimer's disease (AD) relative to other racial groups in the United States and continue to be underrepresented in AD clinical trials. This review explores the primary barriers for participation in clinical trials among Black Americans and provides literature‐based recommendations to improve the inclusion of Black Americans in AD clinical trials.MethodsWe searched electronic databases and gray literature for articles published in the United States through January 1, 2023, ultimately identifying 26 key articles for inclusion.ResultsBarriers to participation in clinical trials for Black Americans are rooted in social determinants of health, including access to quality education and information, access to health care, economic stability, built environment, and community context. Best practices to improve the inclusion of Black Americans in clinical trials require pharmaceutical companies to adopt a multifaceted approach, investing in innovative strategies for site selection, development of local partnerships, outreach, and education.DiscussionWhile multisectoral action must occur to effectively address the disproportionate burden of AD on Black Americans, the pharmaceutical industry has an important part to play in this space due to their central role in product development and clinical trials.
Epidemiological study on equine coccidiosis in North and Northeast of Iran
Authors: Gorji Faezeh Faghihzadeh , Sadr Soheil , Borji Hassan 
Published: July 2023

AbstractBackgroundEimeria is a genus of protozoan parasites that infect many animal species, including horses. We conducted a cross‐sectional study of indigenous breeds of horses from the North and Northeast of Iran to establish the prevalence and distribution of Eimeria species.Material and methodsUsing standard coprological techniques, 340 faecal samples from randomly selected horses (141 from North Iran and 199 from Northeast Iran) were examined for Eimeria oocyst.ResultsOut of 340 samples, only three from north Iran were positive for coccidiosis. Infections occurred by Eimeria leuckarti. The mean intensity of oocyst output (3–38 o.p.g.) was very low. No clinical signs of gastrointestinal disorders were noticed in horses during this study.ConclusionIn conclusion, the results of this study suggest that the prevalence of Eimeria species causing coccidiosis in indigenous breeds of horses from the North and Northeast of Iran is relatively low. These findings provide valuable insights into the health status of indigenous horses in Iran and may help guide future efforts to promote their welfare and productivity.
Internet of Production: Challenges, Potentials, and Benefits for Production Processes due to Novel Methods in Digitalization
Authors: Hopmann Christian , Hirt Gerhard , Schmitz Mauritius , Bailly David 
Published: July 2023

AbstractIn industrial production, customers’ requirements are rising regarding various aspects. Products have to be produced more economical, more flexible, faster, and with much higher quality requirements. Furthermore, especially for traditional mass production processes, shorter product cycles increase the demand in rapid production and process development. The inherent increased product and production complexity raises additional challenges not only in development but also in setup and operation. Lastly, upcoming requirements for sustainable production have to be incorporated. These conflicting aspects lead to increasing complexity for production development as well as production setup at each individual production step as well as along the complete value chain. To master these challenges, digitalization and data-driven models are fundamental tools, since these allow for the automation of many basic tasks as well as processing of large data sets to achieve process understanding and derive appropriate measures. This chapter illustrates requirements for digital systems to be created and benefits derived by different novel systems. Furthermore, because modern systems have to incorporate not only single processes but complex process chains, various production processes and assembly processes are taken into account. In the following chapters, Ruppel et al. 2023; Lockner et al. 2023; Idzik et al 2023; Kluge-Wilkes at al. 2023 digitalization and Industry 4.0 approaches are presented, which incorporate data-driven models for a wide variety of production processes and for different time scales. Many techniques are illustrated to generate benefits on various levels due to the use of data-driven, model-based systems, which are incorporated into a digital infrastructure.