bluuebunny/crossref_metadata_2025_split huggingface dataset:
Metabolic profiling of synthetic cannabinoid 5F‐ADB and identification of metabolites in authentic human blood samples via human liver microsome incubation and ultra‐high‐performance liquid chromatography/high‐resolution mass spectrometry
Authors: Presley Brandon C. , Castaneto Marisol S. , Logan Barry K. , Jansen‐Varnum Susan A. 
Published: July 2020

RationaleIndazole carboxamide synthetic cannabinoids, a prevalent class of recreational drugs, are a major clinical, forensic and public health challenge. One such compound, 5F‐ADB, has been implicated in fatalities worldwide. Understanding its metabolism and distribution facilitates the development of laboratory assays to substantiate its consumption. Synthetic cannabinoid metabolites have been extensively studied in urine; studies identifying metabolites in blood are limited and no data on the metabolic stability (half‐life, clearance and extraction ratio) of 5F‐ADB have been published prior to this report.MethodsThe in vitro metabolism of 5F‐ADB was elucidated via incubation with human liver microsomes for 2 h at 37°C. Samples were collected at multiple time points to determine its metabolic stability. Upon identification of metabolites, authentic forensic human blood samples underwent liquid–liquid extraction and were screened for metabolites. Extracts were analyzed via ultra‐high‐performance liquid chromatography/quadrupole time‐of‐flight mass spectrometry (UHPLC/QTOFMS) operated in positive electrospray ionization mode.ResultsSeven metabolites were identified including oxidative defluorination (M1); carboxypentyl (M2); monohydroxylation of the fluoropentyl chain (M3.1/M3.2) and indazole ring system (M4); ester hydrolysis (M5); and ester hydrolysis with oxidative defluorination (M6). The half‐life (3.1 min), intrinsic clearance (256.2 mL min−1 kg−1), hepatic clearance (18.6 mL min−1 kg−1) and extraction ratio (0.93) were determined for the first time. In blood, M1 was present in each sample as the most abundant substance; two samples contained M5; one contained 5F‐ADB, M1 and M5.Conclusions5F‐ADB is rapidly metabolized in HLM. 5F‐ADB, M1 and M5 are pharmacologically active at the cannabinoid receptors (CB1/CB2) and M1 and M5 may contribute to a user's impairment profile. The results demonstrate that it is imperative that synthetic cannabinoid assays screen for pharmacologically active metabolites, especially for drugs with short half‐lives. The authors propose that M1 and M5 are appropriate markers to include in laboratory blood tests screening for 5F‐ADB.
The next wave: We will all be data scientists
Authors: Betz Margaret , Gundlach Ellen , Hillery Elizabett , Rickus Jenna , Ward Mark D. 
Published: July 2020

AbstractIn the next wave of educating future data scientists, we need to think of all undergraduate students, regardless of background or major, as future data scientists. We should train them in supportive, interdisciplinary environments. Starting from their first day at college, they should be given the opportunity to apply powerful tools to large data sets, using real‐world problems. Partnerships with research computing, academic departments, research centers, companies, government, and nonprofits will all be necessary to fully prepare these students for the breadth of the data science workforce.
Can public surveillance promote corporate environmental innovation? The mediating role of environmental law enforcement
Authors: Liao Zhongju , Weng Chen , Shen Chen 
Published: July 2020

AbstractWith the increase in public environmental awareness, firms are continuously being required to fulfill environmental responsibilities. Based on stakeholder theory and institutional theory, this study examines the impact of public surveillance on corporate environmental innovation and the mediating role of environmental law enforcement. We selected 30 provinces in China as the research sample from 2011 to 2015. Multiple regression analysis was used to analyze the data by Stata software. We found that public surveillance had a significant positive promoting effect on corporate radical eco‐innovation, but had no significant effect on incremental eco‐innovation; environmental law enforcement had a significant positive promoting effect on both radical and incremental eco‐innovations. In addition, public surveillance was conducive to enhancing environmental law enforcement, which in turn promoted corporate radical eco‐innovation.
A new small, mesorostrine inioid (Cetacea, Odontoceti, Delphinida) from four upper Miocene localities in the Pisco Basin, Peru
Authors: Lambert Olivier , Collareta Alberto , Benites‐Palomino Aldo , Di Celma Claudio , de Muizon Christian , Urbina Mario , Bianucci Giovanni 
Published: July 2020

AbstractThe moderately rich past diversity of the superfamily Inioidea (Cetacea, Odontoceti) in both the Atlantic and Pacific oceans contrasts with the present survival of a single genus (Inia, Amazon river dolphin, family Iniidae) in freshwater deposits of South America and of a single species (Pontoporia blainvillei, franciscana, family Pontoporiidae) along the eastern coast of that continent. However, part of the late Miocene – Pliocene inioid fossil record consists of relatively fragmentarily known species, for which systematic affinities remain poorly understood. Based on a sample of six cranial specimens from lower upper Miocene (Tortonian, 9.5–8.6 Ma) marine deposits of the Pisco Formation exposed at four localities of the East Pisco Basin (southern coast of Peru), we describe a new genus and species of inioid, Samaydelphis chacaltanae. This mesorostrine, small‐sized species is characterized by an upper tooth count of c. 30 teeth per row, a moderately elevated vertex of the cranium displaying a long anteromedial projection of the frontals and interparietal, and the plesiomorphic retention of a premaxilla–nasal contact. Recovered as a member of the family Pontoporiidae in our phylogenetic analysis, S. chacaltanae falls as sister group to Meherrinia isoni, from the upper Miocene of North Carolina (USA), which has previously been tentatively referred to the Iniidae or regarded as a stem Inioidea. Originating from the P1 allomember of the Pisco Formation, the mesorostrine S. chacaltanae was contemporaneous and sympatric with two other inioids, the brevirostrine pontoporiid Brachydelphis mazeasi and the longirostrine iniid Brujadelphis ankylorostris.
Application of Generalized Depletion Model to Recruitment of American Eel Elvers and Empirical Support from Survey Data
Authors: Lin Yu‐Jia , Jessop Brian M. 
Published: July 2020

AbstractRecruitment is one of the driving forces determining the population dynamics of a stock, and knowledge about recruitment is crucial in providing reliable results in modern stock assessment. The population of the American Eel Anguilla rostra is at risk, and the fisheries on the elvers are one threat for its persistence. We applied a generalized depletion model on the catch and effort data of the elver fishery of the East River, Chester, Nova Scotia, from 1996 to 2018. The elver fishery of the East River did not have high exploitation pressure on the elver waves passing through. The natural mortality rate varied substantially among years, with a mean generally in agreement with other studies. The estimates of the model parameters did not exhibit significant temporal trends. Moreover, the estimate of annual elver abundance matched well with the fishery‐independent abundance index, providing the first empirical support of the generalized depletion model. The generalized depletion model is an effective method to assess the exploitation status of elver fisheries, as well as providing an estimate of recruitment strength and natural mortality that can be used for stock assessment on the adult stocks when only fisheries‐dependent catch and effort data are available.
Genome‐based prediction of multiple wheat quality traits in multiple years
Authors: Ibba Maria Itria , Crossa Jose , Montesinos‐López Osval A. , Montesinos‐López Abelardo , Juliana Philomin , Guzman Carlos , Delorean Emily , Dreisigacker Susanne , Poland Jesse 
Published: July 2020

AbstractWheat quality improvement is an important objective in all wheat breeding programs. However, due to the cost, time and quantity of seed required, wheat quality is typically analyzed only in the last stages of the breeding cycle on a limited number of samples. The use of genomic prediction could greatly help to select for wheat quality more efficiently by reducing the cost and time required for this analysis. Here were evaluated the prediction performances of 13 wheat quality traits under two multi‐trait models (Bayesian multi‐trait multi‐environment [BMTME] and multi‐trait ridge regression [MTR]) using five data sets of wheat lines evaluated in the field during two consecutive years. Lines in the second year (testing) were predicted using the quality information obtained in the first year (training). For most quality traits were found moderate to high prediction accuracies, suggesting that the use of genomic selection could be feasible. The best predictions were obtained with the BMTME model in all traits and the worst with the MTR model. The best predictions with the BMTME model under the mean arctangent absolute percentage error (MAAPE) were for test weight across the five data sets, whereas the worst predictions were for the alveograph trait ALVPL. In contrast, under Pearson's correlation, the best predictions depended on the data set. The results obtained suggest that the BMTME model should be preferred for multi‐trait prediction analyses. This model allows to obtain not only the correlation among traits, but also the correlation among environments, helping to increase the prediction accuracy.
CRISPR‐Cas system for biomedical diagnostic platforms
Authors: Wang Zhen , Cui Wenguo 
Published: July 2020

AbstractClustered short palindrome repeats with regular intervals, abbreviated as CRISPR, and functions as a self‐defense system for prokaryotes, detecting particular pathogenic nucleic acid, interfering with the functions of exoteric DNA, and protecting them against foreign invaders. In recent years, CRISPR has attracted increasing interests in the in vitro diagnostic field because of its inherent allele specificity, which is one of the critical factors for the successful application of this technology in the development of high‐precision treatment and diagnosis. Herein, this review article aims to provide an overview of CRISPR‐CRISPR associated proteins (Cas) based biomedical diagnostics, including the biological mechanism, biomaterials, and applications. This paper first briefly introduces the development history and biological characteristics of the CRISPR‐Cas system, and then summarizes the application status and development trend of the CRISPR‐Cas system in the detection and identification of particular pathogens, specifically displaying a brilliant prospect in the most recent outbreak of novel coronavirus (formerly named 2019‐nCoV). Moreover, its potential diagnostic power in oncogene mutations and single nucleotide variations detecting are assembled. Finally, we discuss challenges and future prospects of CRISPR‐Cas system based diagnostic platforms in biomedicine, hoping to further inspire the development of biomedical diagnostics.
Axial dynamic analysis of a Bishop nanorod with arbitrary boundary conditions
Authors: Uzun Büşra , Kafkas Uğur , Yaylı Mustafa Özgür 
Published: July 2020

AbstractIn the present work, axial vibrational behavior of nanorods with different boundary conditions is researched. Bishop's rod theory is implemented to simulate the axial deflection. Size‐dependency is captured by using Eringen's nonlocal elasticity theory. Based on nonlocal deformable boundary conditions and Stokes’ transformation, a system of linear equations is derived and then constructed an Eigen value problem. Several numerical examples are presented to investigate the significance of various parameters such as geometric parameters, vibrational modes, various values of nonlocal parameter and axial spring parameters on the axial frequencies of nanorods. The numerical examples indicate that the deformable boundary conditions and small scale parameter have considerable effects on the axial vibration response.
Novel coronavirus and trauma surgery: successful infection control from a level I trauma centre
Authors: Jávor Péter , Varga Endre , Fekete Károly , Tóth Ferenc , Hartmann Petra 
Published: July 2020

Abstract
Purpose
In the absence of effective treatment options, the recent SARS-CoV2 pandemic poses a great challenge to the health and social sectors worldwide. Hereby, we would like to share our proposals in the hope that it will prove helpful for our colleagues in this difficult time.

Methods
The present recommendations are based on the opinion of experts as well as the experience of a group of traumatologists directly involved in the organization of traumatology wards. The reassignment of the healthcare personnel, the separation of the potentially infected patients and the different levels of restriction on the trauma care are all key elements of our protocol.

Results
Since the first SARS-CoV2-positive case was confirmed in Hungary, our trauma surgeons were able to avoid contamination with the help of the new guidelines, without reducing the quality of trauma care.

Conclusion
Reasonably adjusted patient care protocols in every medical field are key to contain the spread of infection and to avoid public health crisis. Sharing experience can be an important element of a successful fight against the recent pandemic.
Clinical AI: opacity, accountability, responsibility and liability
Authors: Smith Helen 
Published: July 2020

AbstractThe aim of this literature review was to compose a narrative review supported by a systematic approach to critically identify and examine concerns about accountability and the allocation of responsibility and legal liability as applied to the clinician and the technologist as applied the use of opaque AI-powered systems in clinical decision making. This review questions (a) if it is permissible for a clinician to use an opaque AI system (AIS) in clinical decision making and (b) if a patient was harmed as a result of using a clinician using an AIS’s suggestion, how would responsibility and legal liability be allocated? Literature was systematically searched, retrieved, and reviewed from nine databases, which also included items from three clinical professional regulators, as well as relevant grey literature from governmental and non-governmental organisations. This literature was subjected to inclusion/exclusion criteria; those items found relevant to this review underwent data extraction. This review found that there are multiple concerns about opacity, accountability, responsibility and liability when considering the stakeholders of technologists and clinicians in the creation and use of AIS in clinical decision making. Accountability is challenged when the AIS used is opaque, and allocation of responsibility is somewhat unclear. Legal analysis would help stakeholders to understand their obligations and prepare should an undesirable scenario of patient harm eventuate when AIS were used.
The joining of gamma titanium aluminides via the powder interlayer bonding method
Authors: Davies P. D. , Davies H. M. , Watkins I. , Britton D. A. 
Published: July 2020

AbstractPowder interlayer bonding (PIB) is a joining technique originally developed to enable high-integrity repairs of aerospace components. The technique has previously been employed for the joining of titanium and nickel alloys utilised in the aerospace industry. This study expands on the application of the novel joining technique known as powder interlayer bonding (PIB), to the bonding of γ titanium aluminide (TiAl) material. PIB has been used to facilitate high-integrity joints in gamma titanium aluminides (TiAl), where full densification of the joint was achieved. The PIB technique described here used a metallic powder interlayer between the two faying surfaces of γ TiAl specimens. Bonds were formed in an inert atmosphere under induction heating. The PIB technique proved capable of producing high-integrity bonds in terms of microstructural evaluation, with very limited porosity retained after the bonding cycle. A brittle Ti2Al phase can be produced with heavily oxidised powder which is susceptible to cracking and will negatively affect mechanical properties.
Renormalization and energy conservation for axisymmetric fluid flows
Authors: Nobili Camilla , Seis Christian 
Published: July 2020

AbstractWe study vanishing viscosity solutions to the axisymmetric Euler equations without swirl with (relative) vorticity in $$L^p$$

L
p

with $$p>1$$

p
>
1

. We show that these solutions satisfy the corresponding vorticity equations in the sense of renormalized solutions. Moreover, we show that the kinetic energy is preserved provided that $$p>3/2$$

p
>
3
/
2

and the vorticity is nonnegative and has finite second moments.
Inter-laboratory study of an optimised peptide mapping workflow using automated trypsin digestion for monitoring monoclonal antibody product quality attributes
Authors: Millán-Martín Silvia , Jakes Craig , Carillo Sara , Buchanan Tom , Guender Marc , Kristensen Dan Bach , Sloth Trine Meiborg , Ørgaard Martin , Cook Ken , Bones Jonathan 
Published: July 2020

AbstractPeptide mapping analysis is a regulatory expectation to verify the primary structure of a recombinant product sequence and to monitor post-translational modifications (PTMs). Although proteolytic digestion has been used for decades, it remains a labour-intensive procedure that can be challenging to accurately reproduce. Here, we describe a fast and reproducible protocol for protease digestion that is automated using immobilised trypsin on magnetic beads, which has been incorporated into an optimised peptide mapping workflow to show method transferability across laboratories. The complete workflow has the potential for use within a multi-attribute method (MAM) approach in drug development, production and QC laboratories. The sample preparation workflow is simple, ideally suited to inexperienced operators and has been extensively studied to show global applicability and robustness for mAbs by performing sample digestion and LC-MS analysis at four independent sites in Europe. LC-MS/MS along with database searching was used to characterise the protein and determine relevant product quality attributes (PQAs) for further testing. A list of relevant critical quality attributes (CQAs) was then established by creating a peptide workbook containing the specific mass-to-charge (m/z) ratios of the modified and unmodified peptides of the selected CQAs, to be monitored in a subsequent test using LC-MS analysis. Data is provided that shows robust digestion efficiency and low levels of protocol induced PTMs.
Validation of MALDI-MS imaging data of selected membrane lipids in murine brain with and without laser postionization by quantitative nano-HPLC-MS using laser microdissection
Authors: Eiersbrock Fabian B. , Orthen Julian M. , Soltwisch Jens 
Published: July 2020

AbstractMALDI mass spectrometry imaging (MALDI-MSI) is a widely used technique to map the spatial distribution of molecules in sectioned tissue. The technique is based on the systematic generation and analysis of ions from small sample volumes, each representing a single pixel of the investigated sample surface. Subsequently, mass spectrometric images for any recorded ion species can be generated by displaying the signal intensity at the coordinate of origin for each of these pixels. Although easily equalized, these recorded signal intensities, however, are not necessarily a good measure for the underlying amount of analyte and care has to be taken in the interpretation of MALDI-MSI data. Physical and chemical properties that define the analyte molecules’ adjacencies in the tissue largely influence the local extraction and ionization efficiencies, possibly leading to strong variations in signal intensity response. Here, we inspect the validity of signal intensity distributions recorded from murine cerebellum as a measure for the underlying molar distributions. Based on segmentation derived from MALDI-MSI measurements, laser microdissection (LMD) was used to cut out regions of interest with a homogenous signal intensity. The molar concentration of six exemplary selected membrane lipids from different lipid classes in these tissue regions was determined using quantitative nano-HPLC-ESI-MS. Comparison of molar concentrations and signal intensity revealed strong deviations between underlying concentration and the distribution suggested by MSI data. Determined signal intensity response factors strongly depend on tissue type and lipid species.
Combined serum biomarker analysis shows no benefit in the diagnosis of periprosthetic joint infection
Authors: Klim S. M. , Amerstorfer F. , Glehr G. , Hauer G. , Smolle M. A. , Leitner L. , Leithner A. , Glehr M. 
Published: July 2020

Abstract
Purpose
In many cases, the diagnosis of a periprosthetic joint infection (PJI) consisting of the clinical appearance, laboratory tests, and other diagnostic tools remains a difficult task. Single serum biomarkers are easy to collect, are suitable for periodical assessment, and are a crucial tool in PJI diagnosis, but limited sensitivity or specificity is reported in literature. The aim of this study was to combine the best-performing single serum biomarkers into a multi-biomarker model aiming to improve the diagnostic properties.

Methods
Within a 27-month period, 124 surgical procedures (aseptic or septic revision total knee arthroplasty (TKA) or total hip arthroplasty (THA)) were prospectively included. The serum leukocyte count, C-reactive protein (CRP), interleukin-6, procalcitonin, interferon alpha, and fibrinogen were assessed 1 day prior to surgery. Logistic regression with lasso-regularization was used for the biomarkers and all their ratios. After randomly splitting the data into a training (75%) and a test set (25%), the multi-biomarker model was calculated and validated in a cross-validation approach.

Results
CRP (AUC 0.91, specificity 0.67, sensitivity 0.90, p value 0.03) and fibrinogen (AUC 0.93, specificity 0.73, sensitivity 0.94, p value 0.02) had the best single-biomarker performances. The multi-biomarker model including fibrinogen, CRP, the ratio of fibrinogen to CRP, and the ratio of serum thrombocytes to CRP showed a similar performance (AUC 0.95, specificity 0.91, sensitivity 0.72, p value 0.01).

Conclusion
In this study, multiple biomarkers were tested for their diagnostic performance, with CRP and fibrinogen showing the best results regarding the AUC, accuracy, sensitivity, and specificity. It was not possible to further increase the diagnostic accuracy by combining multiple biomarkers using sophisticated statistical methods.