bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structural diversity using amino acid “Customizable Units”: conversion of hydroxyproline (Hyp) into nitrogen heterocycles
Authors: Hernández Dácil , Porras Marina , Boto Alicia 
Published: April 2022

AbstractThe ability of amino acid “customizable units” to generate structural diversity is illustrated by the conversion of 4-hydroxyproline (Hyp) units into a variety of nitrogen heterocycles. After a first common step, where the unit underwent a one-pot decarboxylation–alkylation reaction to afford 2-alkylpyrrolidines with high stereoselectivity, a divergent step was carried out. Thus, the deprotected 4-hydroxy group was used either to initiate a radical scission that afforded aliphatic β-amino aldehydes, or to carry out an elimination reaction, to give 2-alkyl-2,5-dihydro-1H-pyrroles. In the first case, the amines underwent a tandem reductive amination–cyclization to afford β-amino-δ-lactams, an efficient rigidifying unit in peptides. Different lactam N-substituents, such as alkylamines, peptides, and alkenyl chains suitable for olefin metathesis were introduced this way. In the second case, the pyrrole derivatives were efficiently converted into alkaloid and iminosugar derivatives in good global yields and with excellent stereoselectivity.
High-performance thin-layer chromatography–direct bioautography combined with chemometrics for the distinction of goldenrod species
Authors: Móricz Á. M. , Ott P. G. , Krüzselyi D. , Baglyas M. , Morlock G. E. 
Published: April 2022

AbstractThirteen root extract samples of four goldenrod (Solidago) species present in Europe were investigated by hyphenated high-performance thin-layer chromatography (HPTLC). Only S. virgaurea is native, whereas S. gigantea, S. canadensis, and S. graminifolia have been introduced from North America. The bioactive zones in the Aliivibrio fischeri bioautogram were identified as polyacetylenes, labdane diterpenes, or clerodane diterpenes by HPTLC coupled to high-resolution mass spectrometry, exploiting the two interfaces, heated electrospray ionization, and direct analysis in real time. Principal component analysis of the obtained bioprofiles enabled the discrimination of the Solidago species. Furthermore, chemometrics pointed to the discriminative components, the main bioactive markers of the species: Z,Z-matricaria ester from S. virgaurea, solidagenone from S. canadensis, solidagoic acid A, and a dialdehyde clerodane diterpene from S. gigantea, and Z-dehydromatricaria ester from S. graminifolia.
Determination of Total Radiochemical Purity of [18F]FDG and [18F]FET by High-Performance Liquid Chromatography Avoiding TLC Method
Authors: Jószai István , Balogh Cintia A. , Hámori Csaba , Molnár Dorottya , Forgács Viktória , Rubleczky Béla , Trencsényi György 
Published: April 2022

AbstractThe goal of this work was to present two high-performance liquid chromatography (HPLC) method that could be applied for the determination of the total radioactive purity of 2-deoxy-2-[18F]fluoro-D-glucose ([18F]FDG) and O-(2-[18F]fluoroethyl)-L-tyrosine ([18F]FET). The separation of [18F]fluoride ions, [18F]FET and [18F]FET intermediate was accomplished on LiChrosper RP-18, 250 × 4 mm, 5 µm (Merck) analytical column. For mobile phase 10 mM potassium dihydrogen phosphate buffer at pH7 (A) and acetonitrile (B) was used: 0–2 min: 15% B; 2–12 min: 85% B; 12–15 min: 15% B, respectively. Analysis of [18F]FDG was performed using LiChrosper 100 NH2, 250 × 4.5 mm, 5 µm (Merck) analytical column. The initial mobile phase composition was 10 mM KH2PO4 buffer (pH7) and acetonitrile (15:85, v/v) and the acetonitrile ratio was decreased to 15% at 2 min after the sample injection and held for 5 min. Complete elution of [18F]fluoride ions from stationary phases could be achieved by adding 10 mg/mL K[19F]F to radioactive samples in a ratio 1:1 during the sample preparation. Recovery of [18F]fluoride ions ranged from 99.5 to 100.6%. The validation of the developed methods showed good results for linearity (r2 = 0.9981–0.9996), specificity (RS = 3.7–10.2), repeatability (%Area RSD% = 1.2–4.3%) and limit of quantitation (LOQ = 1.6–4.5 kBq). During the cross-validation similar radiochemical purity values were obtained by the novel HPLC methods and thin layer chromatography performed according to the recommendations of the Ph. Eur. monographs.
Questioned Virginity Has No Definite Reply
Authors: Zayed Abeer Ahmed , Elbendary Reham Nafad , Moawad Asmaa Mohammad 
Published: April 2022

AbstractVirginity is the nullity of sexual experience in females. However, the use of virginity testing as proof of previous involvement in sexual relations is dependent on having an intact hymen, which refers to a hymen with no signs of previous penetrating injury. Although the quality of this evidence in questioned virginity is extremely poor and considered a violation of human rights, it still constitutes a major facet in medicolegal investigations of sexual assaults. This work evaluates virginity testing as currently practiced in many countries, including Egypt, in terms of medical and legal considerations.
Emotion Regulation Deficits in Adolescent Girls with Major Depression, Anorexia Nervosa and Comorbid Major Depression and Anorexia Nervosa
Authors: Zsigo Carolin , Sfärlea Anca , Lingl Carolin , Piechaczek Charlotte , Schulte-Körne Gerd , Feldmann Lisa , Greimel Ellen 
Published: April 2022

AbstractIn adolescence, both major depression (MD) and anorexia nervosa (AN) are associated with deficits in emotion regulation (ER). However, studies have yet to compare ER profiles within the disorders and the effect of comorbid MD+AN is unclear. This study examined the habitual use of ER in 229 girls, aged 12–18 years, with MD (n = 84), AN (n = 37), comorbid MD+AN (n = 25), and healthy girls (n = 83). Girls with MD, AN and MD+AN reported more maladaptive and less adaptive ER strategies than healthy girls. MD and MD+AN groups showed more frequent use of maladaptive ER compared to only AN, with no differences between only MD and MD+AN. This suggests that MD+AN is not necessarily associated with higher ER deficits, rather, an additional diagnosis of MD exacerbates impairments in AN. Identifying specific ER profiles can provide important targets in prevention and treatment for AN, MD and AN+MD.
The radiosensitizing effect of β-Thujaplicin, a tropolone derivative inducing S-phase cell cycle arrest, in head and neck squamous cell carcinoma-derived cell lines
Authors: Haas Markus , Lenz Teresa , Kadletz-Wanke Lorenz , Heiduschka Gregor , Jank Bernhard J 
Published: April 2022

AbstractBackgroundResistance to radiotherapy is a common cause of treatment failure in advanced head and neck squamous cell carcinoma (HNSCC). ß-Thujaplicin, a natural tropolone derivative, acts as an anti-cancer agent and has recently been shown to radiosensitize non-HNSCC cancer cells. However, no data is currently available on its radiosensitizing potential in HNSCC.MethodsTo investigate the effect of ß-Thujaplicin and irradiation in HNSCC cell lines CAL27 and FADU, we performed a cell viability assay, colony forming assay, flow cytometry for cell cycle analysis and a wound healing assay. Drug-irradiation interaction was analyzed using a zero-interaction potency model.ResultsTreatment with ß-Thujaplicin led to a dose-dependent decrease in cell viability and enhanced the effect of irradiation. Clonogenic survival was inhibited with synergistic drug-irradiation interaction. ß-Thujaplicin further led to S-phase arrest and increased the sub-G1 population. Moreover, combined ß-Thujaplicin and irradiation treatment had a higher anti-migratory effect compared to irradiation alone.Conclusionsß-Thujaplicin acts as a radiosensitizer in HNSCC cell lines. Further evaluation of its use in HNSCC therapy is warranted.
Potential and limitations of applying the mean temperature approach to fossil otolith assemblages
Authors: Agiadi Konstantina , Nawrot Rafał , Albano Paolo G. , Koskeridou Efterpi , Zuschin Martin 
Published: April 2022

Abstract
Evaluation of the impact of climatic changes on the composition of fish assemblages requires quantitative measures that can be compared across space and time. In this respect, the mean temperature of the catch (MTC) approach has been proven to be a very useful tool for monitoring the effect of climate change on fisheries catch. Lack of baseline data and deep-time analogues, however, prevent a more comprehensive evaluation. In this study, we explore the applicability of the mean temperature approach to fossil fish faunas by using otolith assemblage data from the eastern Mediterranean and the northern Adriatic coastal environments corresponding to the last 8000 years (Holocene) and the interval 2.58–1.80 Ma B. P. (Early Pleistocene). The calculated mean temperatures of the otolith assemblage (MTO) range from 13.5 to 17.3 °C. This case study shows that the MTO can successfully capture compositional shifts in marine fish faunas based on variations in their climatic affinity driven by regional climate differences. However, the index is sensitive to methodological choices and thus requires standardized sampling. Even though theoretical and methodological issues prevent direct comparisons between MTO and MTC values, the MTO offers a useful quantitative proxy for reconstructing spatial and temporal trends in the biogeographic affinity of fossil otolith assemblages.
Virulence evolution during a naturally occurring parasite outbreak
Authors: Gowler Camden D. , Essington Haley , O’Brien Bruce , Shaw Clara L. , Bilich Rebecca W. , Clay Patrick A. , Duffy Meghan A. 
Published: April 2022

AbstractVirulence, the degree to which a pathogen harms its host, is an important but poorly understood aspect of host-pathogen interactions. Virulence is not static, instead depending on ecological context and potentially evolving rapidly. For instance, at the start of an epidemic, when susceptible hosts are plentiful, pathogens may evolve increased virulence if this maximizes their intrinsic growth rate. However, if host density declines during an epidemic, theory predicts evolution of reduced virulence. Although well-studied theoretically, there is still little empirical evidence for virulence evolution in epidemics, especially in natural settings with native host and pathogen species. Here, we used a combination of field observations and lab assays in the Daphnia-Pasteuria model system to look for evidence of virulence evolution in nature. We monitored a large, naturally occurring outbreak of Pasteuria ramosa in Daphnia dentifera, where infection prevalence peaked at ~ 40% of the population infected and host density declined precipitously during the outbreak. In controlled infections in the lab, lifespan and reproduction of infected hosts was lower than that of unexposed control hosts and of hosts that were exposed but not infected. We did not detect any significant changes in host resistance or parasite infectivity, nor did we find evidence for shifts in parasite virulence (quantified by host lifespan and number of clutches produced by hosts). However, over the epidemic, the parasite evolved to produce significantly fewer spores in infected hosts. While this finding was unexpected, it might reflect previously quantified tradeoffs: parasites in high mortality (e.g., high predation) environments shift from vegetative growth to spore production sooner in infections, reducing spore yield. Future studies that track evolution of parasite spore yield in more populations, and that link those changes with genetic changes and with predation rates, will yield better insight into the drivers of parasite evolution in the wild.
Cometary science with CUBES
Authors: Opitom Cyrielle , Snodgrass Colin , Forgia Fiorangela La , Evans Chris , Cambianica Pamela , Cremonese Gabriele , Fitzsimmons Alan , Lazzarin Monica , Migliorini Alessandra 
Published: April 2022

AbstractThe proposed CUBES spectrograph for ESO’s Very Large Telescope will be an exceptionally powerful instrument for the study of comets. The gas coma of a comet contains a large number of emission features in the near-UV range covered by CUBES (305-400 nm), which are diagnostic of the composition of the ices in its nucleus and the chemistry in the coma. Production rates and relative ratios between different species reveal how much ice is present and inform models of the conditions in the early solar system. In particular, CUBES will lead to advances in detection of water from very faint comets, revealing how much ice may be hidden in the main asteroid belt, and in measuring isotopic and molecular composition ratios in a much wider range of comets than currently possible, provide constraints on their formation temperatures. CUBES will also be sensitive to emissions from gaseous metals (e.g., FeI and NiI), which have recently been identified in comets and offer an entirely new area of investigation to understand these enigmatic objects.
Emoji Identification and Emoji Effects on Sentence Emotionality in ASD-Diagnosed Adults and Neurotypical Controls
Authors: Hand Christopher J. , Kennedy Ashley , Filik Ruth , Pitchford Melanie , Robus Christopher M. 
Published: April 2022

AbstractWe investigated ASD-diagnosed adults’ and neurotypical (NT) controls’ processing of emoji and emoji influence on the emotionality of otherwise-neutral sentences. Study 1 participants categorised emoji representing the six basic emotions using a fixed-set of emotional adjectives. Results showed that ASD-diagnosed participants’ classifications of fearful, sad, and surprised emoji were more diverse and less ‘typical’ than NT controls’ responses. Study 2 participants read emotionally-neutral sentences; half paired with sentence-final happy emoji, half with sad emoji. Participants rated sentence + emoji stimuli for emotional valence. ASD-diagnosed and NT participants rated sentences + happy emoji as equally-positive, however, ASD-diagnosed participants rated sentences + sad emoji as more-negative than NT participants. We must acknowledge differential perceptions and effects of emoji, and emoji-text inter-relationships, when working with neurodiverse stakeholders.
A mobile app for improving the compliance with remote management of patients with cardiac implantable devices: a multicenter evaluation in clinical practice
Authors: Lavalle Carlo , Magnocavallo Michele , Bernardini Alessia , Vetta Giampaolo , Bianchi Valter , Mattera Agostino , Mariani Marco Valerio , Ammendola Ernesto , Busacca Giuseppe , Piro Agostino , Adduci Carmen , Calò Leonardo , Panchetti Luca , Viani Stefano , Rapacciuolo Antonio , Sanna Giampaolo , Molon Giulio , Quartieri Fabio , Di Rosa Rita , Campari Monica , Valsecchi Sergio , D’Onofrio Antonio 
Published: April 2022

Abstract
Background
The remote device management (RM) is recommended for patients with cardiac implantable electronic devices (CIEDs). RM underutilization is frequently driven by the lack of correct system activation. The MyLATITUDE Patient App (Boston Scientific) has been developed to encourage patient compliance with RM by providing information on communicator setup, troubleshooting, and connection status of the communicator.

Methods
At 14 centers, patients with CIEDs were invited to download and install the App on a mobile device. After 3 months, patients were asked to complete an ad hoc questionnaire to evaluate their experience.

Results
The App was proposed to 242 consecutive patients: 81 before RM activation, and 161 during follow-up. The App was successfully installed by 177 (73%) patients. The time required for activation of the communicator and the need for additional support were similar between patients who followed the indications provided by the App and those who underwent standard in-clinic training. During follow-up, notifications of lack of connection were received by 20 (11%) patients and missed transmission by 22 (12%). The median time from notification to resolution was 2 days. After 3 months, 175 (99%) communicators of the 177 patients who installed the App were in “Monitored” status versus 113 (94%) of 120 patients without the App installed (p=0.033). The use of the app made 84% of patients feel reassured.

Conclusions
The App was well accepted by CIED patients and offered support for communicator management and installation. Its use enabled patients to remain connected with greater continuity during follow-up.
Potential Impact of Reduced Graphene Oxide Incorporated Metal Oxide Nanocomposites as Antimicrobial, and Antibiofilm Agents Against Pathogenic Microbes: Bacterial Protein Leakage Reaction Mechanism
Authors: Elbasuney Sherif , Yehia M. , Ismael Shukri , Al-Hazmi Nawal E. , El-Sayyad Gharieb S. , Tantawy Hesham 
Published: April 2022

AbstractIn the current study, nanocomposites-based reduced graphene oxide (RGO) and metal oxides (AgO, NiO, and ZnO) were fabricated. The starting precursor and RGO were characterized by XRD, Raman, SEM, and HRTEM, while SEM and EDX mapping validated the synthesized nanocomposites. In addition, ZOI, MIC, antibiofilm, and growth curve were tested. The antimicrobial reaction mechanism was investigated by protein leakage assay and SEM imaging. Results revealed that all synthesized nanocomposites (RGO-AgO, RGO-NiO, and RGO-ZnO) have outstanding antimicrobial activity against pathogenic bacteria and unicellular fungi. Moreover, RGO-AgO, RGO-NiO, and RGO-ZnO nanocomposites exhibited an antibiofilm activity percentage against Staphylococcus aureus(91.72%),Candida albicans (91.17%), and Escherichia coli (90.36%). The SEM analysis of S. aureus after RGO-AgO treatment indicated morphological differences, including the whole lysis of the outer surface supported by deformations of the bacterial cells. It was observed that the quantity of cellular protein leakage from S. aureus is directly proportional to the concentration of RGO-AgO, RGO-NiO, and RGO-ZnO nanocomposites and found to be 260.25 µg/mL, 110.55 µg/mL, and 99.90 µg/mL, respectively. The prepared nanocomposites promise to treat resistant microbes as a new strategy for managing infectious diseases.
“Being tied to experience”: towards a subjective account of the phenomenology of the event
Authors: Neumann Daniel 
Published: April 2022

AbstractIn this text, Heidegger's notion of the event is understood as a rupture on an ontological level. From this follows the aporia of whether the event concerns the coming about of being itself, or of beings. To address the ontological as well as the ontic aspect of the event, the article suggests to understand the event in a subjective framework, in line with transcendental conditions of experience, specifically as a "receptivity" to the event. The main part of the article considers existing phenomenological approaches to the event and the possibility or impossibility of a receptivity to the event expressed therein. In conclusion, the article suggests that the subjective event can be conceived as a rupture within subjective experience, as being tied to the necessary coming about of experience.
Genome-wide association studies dissect the G × E interaction for agronomic traits in a worldwide collection of safflowers (Carthamus tinctorius L.)
Authors: Zhao Huanhuan , Savin Keith W. , Li Yongjun , Breen Edmond J. , Maharjan Pankaj , Tibbits Josquin F. , Kant Surya , Hayden Matthew J. , Daetwyler Hans D. 
Published: April 2022

AbstractGenome-wide association studies were conducted using a globally diverse safflower (Carthamus tinctorius L.) Genebank collection for grain yield (YP), days to flowering (DF), plant height (PH), 500 seed weight (SW), seed oil content (OL), and crude protein content (PR) in four environments (sites) that differed in water availability. Phenotypic variation was observed for all traits. YP exhibited low overall genetic correlations (rGoverall) across sites, while SW and OL had high rGoverall and high pairwise genetic correlations (rGij) across all pairwise sites. In total, 92 marker-trait associations (MTAs) were identified using three methods, single locus genome-wide association studies (GWAS) using a mixed linear model (MLM), the Bayesian multi-locus method (BayesR), and meta-GWAS. MTAs with large effects across all sites were detected for OL, SW, and PR, and MTAs specific for the different water stress sites were identified for all traits. Five MTAs were associated with multiple traits; 4 of 5 MTAs were variously associated with the three traits of SW, OL, and PR. This study provided insights into the phenotypic variability and genetic architecture of important safflower agronomic traits under different environments.
Virtual reality for ambulance simulation environment
Authors: Halabi Osama , Salahuddin Tooba , Karkar Abdel Ghani , Alinier Guillaume 
Published: April 2022

AbstractSimulations are beneficial in evaluating clinicians’ empirical competencies through practical skills, prioritizing, and decision-making as part of patient care scenarios generally run in a full-scale physical context. However, such simulations require physical space, manufacturing, and replacement of damaged or used equipment. On the other hand, virtual reality (VR) computerized simulators are comparatively modern instruments for use in practical training. VR can be employed to simulate real-world situations without the actual need for physical devices. This work presents an ambulance patient compartment VR simulation that can be used by emergency medical services (EMS) staff to customize the configuration of the ambulance patient compartment according to their preference as well as for vehicle orientation or training purposes. The proposed simulation can be used repeatedly enabling the paramedics to access equipment in a fully immersive and safe environment. The user studies have demonstrated the usability and perceived effectiveness of the proposed simulation.
A Novel Approach to Uncertainty Quantification in Groundwater Table Modeling by Automated Predictive Deep Learning
Authors: Abbaszadeh Shahri Abbas , Shan Chunling , Larsson Stefan 
Published: April 2022

AbstractUncertainty quantification (UQ) is an important benchmark to assess the performance of artificial intelligence (AI) and particularly deep learning ensembled-based models. However, the ability for UQ using current AI-based methods is not only limited in terms of computational resources but it also requires changes to topology and optimization processes, as well as multiple performances to monitor model instabilities. From both geo-engineering and societal perspectives, a predictive groundwater table (GWT) model presents an important challenge, where a lack of UQ limits the validity of findings and may undermine science-based decisions. To overcome and address these limitations, a novel ensemble, an automated random deactivating connective weights approach (ARDCW), is presented and applied to retrieved geographical locations of GWT data from a geo-engineering project in Stockholm, Sweden. In this approach, the UQ was achieved via a combination of several derived ensembles from a fixed optimum topology subjected to randomly switched off weights, which allow predictability with one forward pass. The process was developed and programmed to provide trackable performance in a specific task and access to a wide variety of different internal characteristics and libraries. A comparison of performance with Monte Carlo dropout and quantile regression using computer vision and control task metrics showed significant progress in the ARDCW. This approach does not require changes in the optimization process and can be applied to already trained topologies in a way that outperforms other models.