bluuebunny/crossref_metadata_2025_split huggingface dataset:
In vitro metabolism of cathinone positional isomers: does sex matter?
Authors: Che Peng , Davidson J. Tyler , Still Kristina , Kool Jeroen , Kohler Isabelle 
Published: July 2023

AbstractSynthetic cathinones, one of the most prevalent categories of new psychoactive substances, have been posing a serious threat to public health. Methylmethcathinones (MMCs), notably 3-MMC, have seen an alarming increase in their use in the last decade. The metabolism and toxicology of a large majority of synthetic cathinones, including 3-MMC and 2-MMC, remain unknown. Traditionally, male-derived liver materials have been used as in vitro metabolic incubations to investigate the metabolism of xenobiotics, including MMCs. Therefore, little is known about the metabolism in female-derived in vitro models and the potential sex-specific differences in biotransformation. In this study, the metabolism of 2-MMC, 3-MMC, and 4-MMC was investigated using female rat and human liver microsomal incubations, as well as male rat and human liver microsomal incubations. A total of 25 phase I metabolites of MMCs were detected and tentatively identified using liquid chromatography-tandem mass spectrometry (LC-MS/MS). Seven sex-specific metabolites were detected exclusively using pooled male rat liver microsomal incubations. In addition, the metabolites generated from the sex-dependent in vitro metabolic incubations that were present in both male and female rat liver microsomal incubations showed differences in relative abundance. Yet, neither sex-specific metabolites nor significant differences in relative abundance were observed from pooled human liver microsomal incubations. This is the first study to report the phase I metabolic pathways of MMCs using in vitro metabolic incubations for both male and female liver microsomes, and the relative abundance of the metabolites observed from each sex.
Graphical abstract
Complementary methods for structural assignment of isomeric candidate structures in non-target liquid chromatography ion mobility high-resolution mass spectrometric analysis
Authors: Akhlaqi Masoumeh , Wang Wei-Chieh , Möckel Claudia , Kruve Anneli 
Published: July 2023

AbstractNon-target screening with LC/IMS/HRMS is increasingly employed for detecting and identifying the structure of potentially hazardous chemicals in the environment and food. Structural assignment relies on a combination of multidimensional instrumental methods and computational methods. The candidate structures are often isomeric, and unfortunately, assigning the correct structure among a number of isomeric candidate structures still is a key challenge both instrumentally and computationally. While practicing non-target screening, it is usually impossible to evaluate separately the limitations arising from (1) the inability of LC/IMS/HRMS to resolve the isomeric candidate structures and (2) the uncertainty of in silico methods in predicting the analytical information of isomeric candidate structures due to the lack of analytical standards for all candidate structures. Here we evaluate the feasibility of structural assignment of isomeric candidate structures based on in silico–predicted retention time and database collision cross-section (CCS) values as well as based on matching the empirical analytical properties of the detected feature with those of the analytical standards. For this, we investigated 14 candidate structures corresponding to five features detected with LC/HRMS in a spiked surface water sample. Considering the predicted retention times and database CCS values with the accompanying uncertainty, only one of the isomeric candidate structures could be deemed as unlikely; therefore, the annotation of the LC/IMS/HRMS features remained ambiguous. To further investigate if unequivocal annotation is possible via analytical standards, the reversed-phase LC retention times and low- and high-resolution ion mobility spectrometry separation, as well as high-resolution MS2 spectra of analytical standards were studied. Reversed-phase LC separated the highest number of candidate structures while low-resolution ion mobility and high-resolution MS2 spectra provided little means for pinpointing the correct structure among the isomeric candidate structures even if analytical standards were available for comparison. Furthermore, the question arises which prediction accuracy is required from the in silico methods to par the analytical separation. Based on the experimental data of the isomeric candidate structures studied here and previously published in the literature (516 retention time and 569 CCS values), we estimate that to reduce the candidate list by 95% of the structures, the confidence interval of the predicted retention times would need to decrease to below 0.05 min for a 15-min gradient while that of CCS values would need to decrease to 0.15%. Hereby, we set a clear goal to the in silico methods for retention time and CCS prediction.
Graphical abstract
Exploring the quality and nutritional profiles of monovarietal oils from millennial olive trees in Tunisia
Authors: Mnasri S. Rahmani , Debbabi O. Saddoud , Amar F. Ben , Dellino M. , Montemurro C. , Miazzi M. M. 
Published: July 2023

AbstractIn Tunisia, the olive tree has been cultivated for more than 3000 years by different civilizations, such as the Phoenicians, Greeks, Carthaginians, Romans, and Arabs. The ancient olive trees, which thrive in harsh environments, are little known and contain a foremost part of the olive germplasm. This study focused on the chemical oil analysis of the Tunisian millennial olive trees dating from the Roman and the Carthaginians periods. Twenty-eight antique olive trees grown in Tunisia's north to south are the subject of this study. Analyzed according to international standards, the tested accessions present oil with high quality, rich in chlorophyll and carotenes, and highly rich in polyphenols. The oil's fatty acid composition is complete with the international norms with a high oleic acid content, low palmitic and linoleic acid concentrations, and a C18:1/C18:2 ratio ≥ 7. Four oils, in particular, contained substantial levels of polyphenols (500–1632 mg/kg) and a C18:1/C18:2 ratio of > 9. Subsequently, it is crucial to prevent the extinction of ancient olive trees to preserve their historical significance and ecological worth, as well as to incorporate the best genotypes into new varieties and boost the competitiveness of Tunisian olive oil on the global market.
Medicines postpartum in Sweden and coverage in Janusmed Breastfeeding
Authors: Asplund A. B. , Sköld P. Dreher , Lind L. Karlsson , Cesta C. E. , Dahl M. L. , Jonsson E. Wikström , Andersson M. L. 
Published: July 2023

Abstract

Purpose
The purpose of this article is (1) to investigate which medicines are prescribed and dispensed to women the first 6 months postpartum, (2) to identify medicines dispensed postpartum but not recommended during breastfeeding, and (3) to find medicines commonly dispensed postpartum, but not currently included in Janusmed Breastfeeding.

Methods
In this register-based cohort study covering births between January 2017 and August 2019, the Swedish Medical Birth Register (MBR), the Prescribed Drug Register, and Janusmed Breastfeeding were linked to identify medicines dispensed to women during the first 6 months postpartum, and how they are covered and classified in Janusmed Breastfeeding.

Results
During the first 6 months postpartum, 66% of women purchased at least one prescription medicine from the pharmacy. The most common medicines were contraceptive agents, analgesics, antibiotics, and glucocorticoids. A third of the 30 most commonly dispensed medicines have no information available about the safety of use in breastfeeding. The most dispensed medicines, where the database advises against use in breastfeeding, included several antitussive agents, a local anaesthetic, and several gestagens. The most commonly dispensed medicines not covered by the Janusmed Breastfeeding were medicines for dry eyes, for assisted reproduction, and HIV.

Conclusion
Prescribed medicines compatible with breastfeeding are more common during the first 6 months postpartum than medicines not compatible with breastfeeding, but medicines which lack evidence for safety in breastfeeding are still commonly used.
Image quality of spectral brain computed tomography angiography using halved dose of iodine contrast medium
Authors: Fransson Veronica , Mellander Helena , Ramgren Birgitta , Andersson Henrik , Arena Francesco , Ydström Kristina , Ullberg Teresa , Wassélius Johan 
Published: July 2023

Abstract

Purpose
Reduction in iodinated contrast medium (CM) dose is highly motivated. Our aim was to evaluate if a 50% reduction of CM, while preserving image quality, is possible in brain CT angiography (CTA) using virtual monoenergetic images (VMI) on spectral CT. As a secondary aim, we evaluated if VMI can salvage examinations with suboptimal CM timing.

Methods
Consecutive patients older than 18 years without intracranial stenosis/occlusion were included. Three imaging protocols were used: group 1, full CM dose; group 2, 50% CM dose suboptimal timing; and group 3, 50% CM dose optimized timing.
Attenuation, noise, signal-to-noise ratio (SNR), and contrast-to-noise ratio (CNR) were measured in the internal carotid artery, M2 segment of the middle cerebral artery, and white matter for conventional images (CI) and VMI (40–200 keV). Qualitative image quality for CI and VMI (50 and 60 keV) was rated by 4 experienced reviewers.

Results
Qualitatively and quantitatively, VMI (40–60 keV) improved image quality within each group. Significantly higher attenuation and CNR was found for group 3 VMI 40–50 keV, with unchanged SNR, compared to group 1 CI. Group 3 VMI 50 keV also received significantly higher rating scores than group 1 CI. Group 2 VMI (40–50 keV) had significantly higher CNR compared to group 3 CI, but the subjective image quality was similar.

Conclusion
VMI of 50 keV with 50% CM dose increases qualitative and quantitative image quality over CI with full CM dose. Using VMI reduces non-diagnostic examinations and may salvage CTA examinations deemed non-diagnostic due to suboptimal timing.
From Conservation to Connection: Exploring the Role of Nativeness in Shaping People’s Relationships with Urban Trees
Authors: Kaplan Haylee , Prahalad Vishnu , Kendal Dave 
Published: July 2023

AbstractDeciding whether to plant native or non-native trees in public urban green spaces is becoming complex and conflicted, and decisions purely based on biotic nativeness are likely to be hamstrung as climate change and rising urban heat push many native species beyond their natural ranges. Importantly, tree selection considerations by urban planners and environmental managers will have to move beyond a primary focus on securing conservation and ecological outcomes, to elucidate and engage with a growing interest in the socio-cultural values and services of urban trees. Building on emerging theoretical perspectives, this place-based study explores the role that perceptions of nativeness have in shaping people’s relationships with native and non-native urban trees and landscapes in an Australian city. Nativeness was associated with a range of subjective meanings including cultural identity, political expression, nature connection, desirable and undesirable traits, and environmental and cultural compatibility. Our findings emphasise that the ways in which urban trees and green spaces are valued and experienced is likely mediated by people’s perceptions of nativeness and its importance relative to other attributes. To provision and sustain green spaces that meet the diverse needs and preferences of urban publics, planners and managers need to elucidate and incorporate the nuanced, place-based and multifaceted subjective meanings of nativeness into urban greening decision-making and practice.
Targeting pan-essential pathways in cancer with cytotoxic chemotherapy: challenges and opportunities
Authors: Rudd Sean G. 
Published: July 2023

AbstractCytotoxic chemotherapy remains a key modality in cancer treatment. These therapies, successfully used for decades, continue to transform the lives of cancer patients daily. With the high attrition rate of current oncology drug development, combined with the knowledge that most new therapies do not displace standard-of-care treatments and that many healthcare systems cannot afford these new therapies; cytotoxic chemotherapies will remain an important component of cancer therapy for many years to come. The clinical value of these therapies is often under-appreciated within the pre-clinical cancer research community, where this diverse class of agents are often grouped together as non-specific cellular poisons killing tumor cells based solely upon proliferation rate; however, this is inaccurate. This review article seeks to reaffirm the importance of focusing research efforts upon improving our basic understanding of how these drugs work, discussing their ability to target pan-essential pathways in cancer cells, the relationship of this to the chemotherapeutic window, and highlighting basic science approaches that can be employed towards refining their use.
Excessive vincristine exposure in a child being treated for acute lymphoblastic leukaemia with underlying Dubin–Johnson syndrome: a case report
Authors: Barnett Shelby , Nyein Aye Chan , Galler Martin , Jamieson David , Davies Michelle , Connor Philip , Veal Gareth J. 
Published: July 2023

Abstract
Background
Dubin–Johnson syndrome is a rare benign autosomal recessive condition that causes an isolated increase of conjugated bilirubin in the serum. Impaired biliary excretion is due to mutation in the multiple drug-resistance protein 2 gene (MRP2).

Case presentation
We describe the case of a 4-year-old girl being treated for acute lymphoblastic leukaemia who had a history of conjugated hyperbilirubinaemia and persistently elevated bilirubin levels on initiation of chemotherapy. During treatment for leukaemia, she was diagnosed with Dubin–Johnson syndrome for the underlying condition. Following administration of vincristine at the recommended dose of 1.5 mg/m2, an abnormally high vincristine exposure was observed (AUC > 200 µg/L*h), approximately 3 times higher than previously reported exposures in a comparable clinical setting. Vincristine dose reductions were applied on subsequent cycles of treatment and resulted in markedly reduced drug exposures, within the normal target range.

Conclusion
This case provided a rare opportunity to assess the impact of MRP2 mutations associated with Dubin–Johnson syndrome on the pharmacokinetics of vincristine and strongly indicates that a marked dose reduction should be recommended. Clinicians should be made aware of the potential for altered drug disposition for agents such as vincristine in patients with this rare genetic condition.
Healthcare utilization and unmet needs of patients with antisynthetase syndrome: An international patient survey
Authors: Weiss M. , Holzer M. T. , Muehlensiepen F. , Ignatyev Y. , Fiehn C. , Bauhammer J. , Schmidt J. , Schlüter S. , Dihkan A. , Scheibner D. , Schneider U. , Valor-Mendez L. , Corte G. , Gupta L. , Chinoy H. , Lundberg I. , Cavagna L. , Distler J. H. W. , Schett G. , Knitza J. 
Published: July 2023

Abstract
Antisynthease syndrome (ASSD) is a rare, complex and understudied autoimmune disease. Internet-based studies can overcome barriers of traditional on-site research and are therefore very appealing for rare diseases. The aim of this study was to investigate patient-reported symptoms, diagnostic delay, symptoms, medical care, health status, working status, disease knowledge and willingness to participate in research of ASSD patients by conducting an international web-based survey. The multilingual questionnaire was created by an international group of rheumatologists and patients and distributed online. 236 participants from 22 countries completed the survey. 184/236 (78.0%) were female, mean age (SD) was 49.6 years (11.3) and most common antisynthetase antibody was Jo-1 (169/236, 71.6%). 79/236 (33.5%) reported to work full-time. Median diagnostic delay was one year. The most common symptom at disease onset was fatigue 159/236 (67.4%), followed by myalgia 130/236 (55.1%). The complete triad of myositis, arthritis and lung involvement verified by a clinician was present in 42/236 (17.8%) at disease onset and in 88/236 (37.3%) during the disease course. 36/236 (15.3%) reported to have been diagnosed with fibromyalgia and 40/236 (16.3%) with depression. The most reported immunosuppressive treatments were oral corticosteroids 179/236 (75.9%), followed by rituximab 85/236 (36.0%). 73/236 (30.9%) had received physiotherapy treatment. 71/236 (30.1%) reported to know useful online information sources related to ASSD. 223/236 (94.5%) were willing to share health data for research purposes once a year. Our results reiterate that internet-based research is invaluable for cooperating with patients to foster knowledge in rare diseases.
Length–weight relationships and condition factors of six notothenioid fish species occurring off King George Island and Northern Victoria Land (Antarctica)
Authors: Kim Jihun , Lee Seungyeon , Nguyen Phuong Thi , Han Dong-Won , Kim IL-Chan , Kim Jin-Hyoung 
Published: July 2023

AbstractThis research was conducted to study length–weight relationships (LWR) and condition factors of six Antarctic notothenioidei fish species including blackfin icefish (Chaenocephalus aceratus), single-angle icefish (Chionodraco hamatus), marbled rockcod (Notothenia rossii), black rockcod (Notothenia coriiceps), emerald rockcod (Trematomus bernacchii), and dusky rockcod (Trematomus newnesi) from the King Sejong Station on King George Island and Jang Bogo Station on the Northern Victoria Land. A total of 232 specimens were collected by fishing on the icebreaking research vessel ARAON from December 2020 to February 2021. The LWR parameters and condition factors differed depending on species, which can be affected by their distribution, species characteristics, and gravidity status. The exponent b values in LWR (W = aLb) ranged from 2.593 to 5.184. Four species including C. aceratus, C. hamatus, N. rossii, and T. bernacchii followed positive allometric growth, T. newnesi followed negative allometric growth, and only N. coriiceps showed isometric growth. These results can be helpful in understanding the ecological and growth conditions of six fish species living in the Antarctic Ocean, providing more information for future research on Antarctic fish.
Assessment of glenoid bone loss and other osseous shoulder pathologies comparing MR-based CT-like images with conventional CT
Authors: Feuerriegel Georg C. , Kronthaler Sophia , Weiss Kilian , Haller Bernhard , Leonhardt Yannik , Neumann Jan , Pfeiffer Daniela , Hesse Nina , Erber Bernd , Schwaiger Benedikt J. , Makowski Marcus R. , Woertler Klaus , Karampinos Dimitrios C. , Wurm Markus , Gersing Alexandra S. 
Published: July 2023

Abstract
Objectives
To evaluate and compare the diagnostic performance of CT-like images based on a 3D T1-weighted spoiled gradient-echo sequence (T1 GRE), an ultra-short echo time sequence (UTE), and a 3D T1-weighted spoiled multi-echo gradient-echo sequence (FRACTURE) with conventional CT in patients with suspected osseous shoulder pathologies.

Materials and methods
Patients with suspected traumatic dislocation of the shoulder (n = 46, mean age 40 ± 14.5 years, 19 women) were prospectively recruited and received 3-T MR imaging including 3D T1 GRE, UTE, and 3D FRACTURE sequences. CT was performed in patients with acute fractures and served as standard of reference (n = 25). Agreement of morphological features between the modalities was analyzed including the glenoid bone loss, Hill-Sachs interval, glenoid track, and the anterior straight-line length. Agreement between the modalities was assessed using Bland-Altman plots, Student’s t-test, and Pearson’s correlation coefficient. Inter- and intrareader assessment was evaluated with weighted Cohen’s κ and intraclass correlation coefficient.

Results
All osseous pathologies were detected accurately on all three CT-like sequences (n = 25, κ = 1.00). No significant difference in the percentage of glenoid bone loss was found between CT (mean ± standard deviation, 20.3% ± 8.0) and CT-like MR images (FRACTURE 20.6% ± 7.9, T1 GRE 20.4% ± 7.6, UTE 20.3% ± 7.7, p > 0.05). When comparing the different measurements on CT-like images, measurements performed using the UTE images correlated best with CT.

Conclusion
Assessment of bony Bankart lesions and other osseous pathologies was feasible and accurate using CT-like images based on 3-T MRI compared with conventional CT. Compared to the T1 GRE and FRACTURE sequence, the UTE measurements correlated best with CT.

Clinical relevance statement
In an acute trauma setting, CT-like images based on a T1 GRE, UTE, or FRACTURE sequence might be a useful alternative to conventional CT scan sparing associated costs as well as radiation exposure.

Key Points
• No significant differences were found for the assessment of the glenoid bone loss when comparing measurements of CT-like MR images with measurements of conventional CT images.
• Compared to the T1 GRE and FRACTURE sequence, the UTE measurements correlated best with CT whereas the FRACTURE sequence appeared to be the most robust regarding motion artifacts.
• The T1 GRE sequence had the highest resolution with high bone contrast and detailed delineation of even small fractures but was more susceptible to motion artifacts.
Physicochemical characterization and biological response of PDMS/CS/PVA/GEN semi-interpenetrating networks as a function of CS/PVA/GEN ratio for tissue engineering
Authors: Benítez-Martínez Jorge Alejandro , Garnica-Palafox Itzel Marisol , Rodríguez-Hernández Adriana , Pérez-Calixto Daniel , Vázquez-Victorio Genaro , Hernádez-Gordillo Agileo , Sánchez-Arévalo Francisco Manuel 
Published: July 2023

Abstract
We demonstrated that the combination of poly(dimethylsiloxane) (PDMS) and a hybrid hydrogel based on chitosan/poly(vinyl alcohol)/genipin (CS/PVA/GEN)—with ratios 7:3 (SIPNs1), 5:5 (SIPNs2), and 3:7 (SIPNs3) (w/w)—were useful for obtaining semi-interpenetrated polymeric networks (SIPNs). These SIPNs successfully combined the PDMS’s elasticity, the PVA’s swelling capability, and the excellent biological response of CS and GEN. Noticing these features are desirable in materials intended for biomedical applications such as wound healing and tissue engineering. Through evaluating the influence of PDMS and CS/PVA/GEN hybrid hydrogel ratios on the physico-chemical, mechanical, and the response of seeded cells, we found contact angles between 55$$^{\circ }$$

∘

and 75$$^{\circ }$$

∘

, while the swelling percentage was enhanced up to three times concerning blank PDMS. Besides, the elastic moduli presented values between 1 and 1.6 MPa. The fibroblasts seeded on the tested semi-interpenetrating polymeric networks were viable, and no cytotoxic effects were found. The cells presented fusiform shapes indicating an excellent attachment to the material’s surface. The highest cell densities were found for SIPNs1 and SIPNs2, suggesting that these compositions in a membrane shape could potentially be used in wound healing/dressing or as a scaffold for tissue engineering.

Graphical abstract