bluuebunny/crossref_metadata_2025_split huggingface dataset:
synMARSS—An End‐To‐End Platform for the Parametric Generation of Synthetic In Vivo Magnetic Resonance Spectra
Authors: Landheer Karl , Treacy Michael , Instrella Ronald , Chioma Igwe Kay , Döring André , Kreis Roland , Juchem Christoph 
Published: February 2025

ABSTRACTSynthetic magnetic resonance spectra (MRS) are mathematically generated spectra which can be used to investigate the assumptions of data analysis strategies, optimize experimental design, and as training data for the development and validation of machine learning tools. In this work, we extend Magnetic Resonance Spectrum Simulator (MARSS), a popular MRS basis set simulation tool, to be able to generate synthetic spectra for an arbitrary MRS sequence. The extension, referred to as synMARSS, converts a basis set as well as a set of NMR, tissue‐related and additional sequence parameters into high‐quality synthetic spectra via a parametric model. synMARSS is highly versatile, incorporating T1 and T2 relaxation, arbitrary line shape distortions and diffusion, while also quickly generating the large amount of training data needed for machine learning applications. Additionally, we extend MARSS to non‐1H nuclei, such as 2H, 13C, and 31P. We use synthetic spectra to investigate the effects of approximating 14N heteronuclear coupling as weak homonuclear coupling, which was found to have small effects on the quantified concentrations for major metabolites for the implementation of PRESS at short echo time, but these effects increased at longer echo times.
Geographic Accessibility to Clinical Trials for Head and Neck Cancers in the United States
Authors: Sharma Shiven , Alkurdi Dany , Alkurdi Ezdean , Patel Dev , Alani Omar , Sharma Keshav , Saran Ekambir , Carr Michele M. 
Published: February 2025

AbstractHead and neck cancers (HNCs) are becoming more common, thereby gaining greater attention within the medical community. This retrospective trend analysis examined geographical access to HNC clinical trials in the United States from 2005 to 2024, utilizing Census data and the Haversine formula. A search of ClinicalTrials.gov identified 23,450 trial sites, with 18,394 initiated before 2020. Although linear regression revealed a slight annual increase in trial initiation (37.947 trials/year, R² = 0.014, P = .625), most observed trends did not reach statistical significance. The proportion of the population residing within 1 mile of the trials saw a minor increase (0.328%/year, R² = 0.178, P = .064). Accessibility remained consistent throughout the COVID‐19 pandemic, despite a decline in trial initiation during 2020. Enhancing access to trials, especially for marginalized populations, could improve patient engagement and clinical results.
Long‐Term Outcomes Following Radiotherapy for Pediatric Salivary Gland Tumors
Authors: Augustin Etzer M. , Indelicato Daniel J. , Bradley Julie A. , Fortune E. Charles , Dagan Roi , Morris Christopher G. , Bradfield Scott M. , Vega Raymond B. Mailhot 
Published: February 2025

ABSTRACTBackgroundIn contrast to adult salivary gland tumors, our institutional guidelines utilize lower radiation doses, smaller target margins, and proton therapy (PT) to minimize radiation to children's developing skull base anatomy. Herein, we report outcomes of our pediatric management approach.ProceduresWe identified 31 pediatric patients with salivary gland tumors treated with PT at our institution between 2006 and 2023. Most common histologies were mucoepidermoid carcinoma (n = 14), acinic cell carcinoma (n = 5), and adenoid cystic carcinoma (n = 5). Eight patients with radiographic lymphadenopathy underwent neck dissection prior to presentation, with selective dissections involving <4 nodal levels in 7/8 cases. The gross tumor volume (GTV) encompassed the residual tumor and tumor bed. Clinical target volume (CTV1), defined as GTV + 1 cm margin, received 50.4 Gy. Prophylactic nodal irradiation was administered to three patients. CTV2 equaled the GTV and was treated to a median total dose of 64.8 Gy (range, 61.2–70.8). Toxicity was assessed with CTCAE Version 5.0.ResultsMedian follow‐up was 7.5 years (range, 1.2–15). Overall survival (OS) was 96%, and local control was 94%. There were no nodal recurrences. Acute toxicities were limited to mucositis requiring opioids and transient Grade 3 dermatitis. The most serious late toxicity involved the auditory system, including three patients requiring hearing aids, one with chronic otitis media, one with osteonecrosis of the mastoid, and one with external canal stenosis. There was neither Grade 4 toxicity nor second malignancy.ConclusionsConservative neck management and moderate‐dose PT delivered to smaller volumes resulted in excellent long‐term disease control and limited toxicity in children with common salivary gland tumors.
Factors Associated with Electrocardiographic Abnormalities in Patients with Sickle Cell Disease: A Systematic Review and Meta‐Analysis
Authors: Zare Parisa , Ahmadkhani Alireza , Taherifard Ehsan , Apelian Shant , Behjoo Hoda , Taherifard Erfan 
Published: February 2025

ABSTRACTIntroductionSickle cell disease (SCD) is frequently associated with cardiovascular complications, with cardiac involvement being evident in the electrocardiogram (ECG). This study aimed to systematically research the literature to investigate factors associated with ECG abnormalities in SCD patients.MethodFive online databases of PubMed, Scopus, Web of Science, Embase, and Google Scholar were reviewed using a broad search strategy to identify original studies reporting factors associated with abnormal ECG findings among patients with SCD. Using Comprehensive Meta‐Analysis software, various effect sizes—odds ratios (ORs), mean differences, and correlation coefficients—were analyzed, pooled with a random effects model, and visualized through forest plots.ResultsData analysis from 23 studies covering 2943 SCD patients revealed increased odds of prolonged QTc interval (2.54, 95% CI = 1.34–4.83), ST segment elevation (9.23, 95% CI = 3.15–27.07), and ST segment depression (3.82, 95% CI = 1.99–7.33) during crises. Patients with moderate SCD severity had higher odds of having any ECG abnormalities compared to those with mild severity (2.80, 95% CI = 1.47–5.33). No significant associations were observed between moderate and mild severity for left ventricular hypertrophy, sinus arrhythmia, and sinus tachycardia, or between male and female for having any ECG abnormalities, left ventricular hypertrophy, and prolonged QTc interval. Additionally, mean hemoglobin level was 0.60 mg/dL lower (95% CI = −0.91 to 0.28) in those with prolonged QTc interval.ConclusionThis study highlights the link between SCD status and severity, and hemoglobin, and ECG abnormalities. It emphasizes the need for cardiac monitoring, caution with QTc‐prolonging medications, and routine ECG assessments to prevent cardiovascular complications in these high‐risk patients.
Expanding the OMOP Common Data Model to Support Perinatal Research in Network Studies
Authors: Abellan Alicia , Burn Edward , Trinh Nhung T. H. , Burkard Theresa , Callahan Alison , Fernández‐Bertolín Sergio , Hurley Eimir , Rodriguez Clara , Segundo Elena , Morales Daniel R. , M. E. Nordeng Hedvig , Duarte‐Salles Talita 
Published: February 2025

ABSTRACTObjectivesThe Observational Medical Outcomes Partnership common data model (OMOP‐CDM) is a useful tool for large‐scale network analysis but currently lacks a structured approach to pregnancy episodes. We aimed to develop and implement a perinatal expansion for the OMOP‐CDM to facilitate perinatal network research.MethodsWe collaboratively developed a perinatal expansion with input from domain experts and stakeholders to reach consensus. The structure and vocabularies followed the OMOP‐CDM ontological framework principles. We tested the expansion using SIDIAP and Norwegian databases. We developed a diagnostics package for quality control assessment and conducted a descriptive analysis on the captured perinatal data mapped to the OMOP‐CDM.ResultsThe perinatal expansion consists of a pregnancy table and an infant table, each with required and optional variables incorporated into standardized vocabularies. Quality assessment of the perinatal expansion table in SIDIAP and Norwegian databases demonstrated accurate capture of perinatal characteristics. Descriptive analysis measured the number of pregnancies (SIDIAP: 646 530; Norway: 746 671), pregnancy outcomes (e.g., 0.5% stillbirths in SIDIAP and 0.4% in Norway), gestational length (median [IQR] in days, SIDIAP: 273 [56–280]; Norway: 280 [273–286]), number of infants (Norway: 758 806), and birth weight (median [IQR] in grams, Norway: 3520 [3175–3860)], among other relevant variables.Discussion and ConclusionWe developed and implemented a perinatal expansion that captures important variables for perinatal research and allows interoperability with existing tables in the OMOP‐CDM, which is expected to facilitate future network studies. The publicly available diagnostics package enables testing the implementation of the extension table and the quality and completeness of available data on pregnancy and pregnancy‐related outcomes in databases mapped to the OMOP CDM.
Prevalence and treatment outcomes of persistent postural‐perceptual dizziness after traumatic brain injury
Authors: Johnson Brandon , Johnson Nathaniel , Staab Jeffrey , Esterov Dmitry 
Published: February 2025

AbstractBackgroundPersistent postural‐perceptual dizziness (PPPD) is a chronic functional vestibular disorder that is a potential sequela of traumatic brain injury (TBI). Currently, little is known about how patients with TBI associated PPPD respond to typical PPPD treatment modalities.ObjectiveTo investigate the prevalence of TBI as a precipitant for PPPD and assess outcomes of usual treatment.DesignRetrospective cohort study.SettingElectronic medical records from a tertiary care center.ParticipantsPatients ≥18 years of age diagnosed with PPPD secondary to TBI between January 2015 and December 2022 who underwent 6 months of treatment with at least one return clinic visit.InterventionsNot applicable.Main Outcome Measure(s)Patients' best clinical global impression‐improvement scale (CGI‐I) score following 6 months of treatment were collected and then compared with previously published literature, with CGI‐I scores of 1or 2 (indicating the patient was “very much” or “much” improved, respectively) considered treatment responders.ResultsIn total, 134 (8.9%) of 1503 patients had a TBI as the triggering event for PPPD. The mean age of this cohort was 47.6 years with most of these cases occurring after a mild TBI (85.8%). The proportion of females with post‐TBI PPPD (58.2%) was significantly lower than the proportion with PPPD due to all causes (p < .037). The most common treatment prescribed was vestibular therapy (82.2%), and 53.3% of patients were considered treatment responders after 6 months. Patients with TBI‐induced PPPD had a significantly worse mean CGI‐I score (2.49 ± 1.1) when compared to prior literature (1.71 ± 0.83) (p < .001).ConclusionsThis study found a 9% prevalence of PPPD following TBI in the largest cohort studied to date. Patients who developed PPPD following TBI did not respond as well to standard treatments as patients with other causes of the disorder, and thus may require closer clinical follow‐up to assess treatment efficacy.
Insights Into Cold Atmospheric Plasma Triggered Self‐Assembly of Keratin Protein
Authors: Bhatt Priya , Sankaranarayanan Kamatchi 
Published: February 2025

ABSTRACTCold Atmospheric Plasma (CAP) is a novel method for biomaterial fabrication, inducing physicochemical changes in biomolecules. Keratin, an industrial waste product valued for its biocompatibility and biodegradability, formed self‐assembled structures under CAP treatment, as revealed by SEM. Zeta analysis showed increased surface charge, while TGA and XRD confirmed enhanced crystallinity with sharp‐edged nanocrystalline structures. Unique self‐assembly behaviors were observed in un‐dialyzed and dialyzed keratin. CAP modified keratin's self‐assembly through reactive oxygen and nitrogen species (RONS), inducing physical changes without altering its chemical structure or native conformation. This highlights CAP's potential to tailor keratin properties for specific applications.
The Causal Role of Immune Cell Phenotypes and Inflammatory Factors in Childhood Asthma: Evidence From Mendelian Randomization
Authors: Feng Zhoushan , Jia Chunhong , Han Bin , Chen Xiaochun , Mei Jingwen , Qiao Shicun , Wu Xiaohong , Wu Fan 
Published: February 2025

ABSTRACTObjectiveThis study utilizes Mendelian randomization (MR) to explore the causal relationship between immune cell phenotypes, inflammatory factors, and childhood asthma, aiming to enhance our understanding and management of the disease.MethodsA two‐sample MR approach was used to explore the causal relationships between 731 immune cell phenotypes, 91 inflammatory factors, and childhood asthma. The main analysis was performed using inverse variance weighting (IVW), with additional methods like weighted median, MR‐Egger, and weighted mode. Statistical significance was further assessed using false discovery rate (FDR) correction. Sensitivity analyses assessed heterogeneity (Cochran's Q test) and pleiotropy (MR‐Egger, MR‐PRESSO), while reverse causality was evaluated using the Steiger test. Findings were further validated through cohort studies and meta‐analyses to ensure robustness.ResultsAmong 91 inflammatory factors, DNER, IL‐18 R1, and Osteoprotegerin increased childhood asthma risk, while CDCP1 and VEGF‐A were protective (p < 0.05). Of 731 immune cell phenotypes, 45 showed significant links to asthma, with protective effects from CD45RA+ CD8+ T cells and HLA−DR+ NK cells, and increased risk from IgD‐CD38‐ B cells and CD8dim T cells (p < 0.05). Specific SSC‐A parameters and higher MFI values for CD19, CD28, and CD3 were protective, while elevated MFI for CCR2 on monocytes and CD86 on myeloid dendritic cells increased risk. However, after further FDR correction, no statistically significant results were identified. Nonetheless, sensitivity and replication analyses, including meta‐analysis, confirmed the robustness of these associations.ConclusionsThis study provides a comprehensive investigation into the complex interplay between immune system dysregulation and childhood asthma. By identifying specific inflammatory factors and immune cell phenotypes linked to asthma risk and protection, the findings offer valuable insights into disease pathogenesis. While these results highlight potential targets for precision‐based therapeutic interventions, further research is needed to validate these associations and translate them into clinical applications.
Cloning, Characterization, and Computer‐Aided Evolution of a Thermostable Laccase of the DUF152 Family From Klebsiella michiganensis
Authors: Cui Ting , Brückner Kathrin , Schilling Stephan , Mägert Hans‐Jürgen 
Published: February 2025

ABSTRACTBacterial laccases exhibit relatively high optimal reaction temperatures and possess a broad substrate spectrum, thereby expanding the range of potential applications for laccase enzymes. This study aims to investigate the molecular evolution of bacterial laccases using computational 3D‐structure prediction and molecular docking tools such as AlphaFold2, Metal3D, AutoDockVina, and Rosetta. We isolated a bacterium with laccase activities from fecal samples from a Hermann's tortoise (Testudo hermanni), identified it as Klebsiella michiganensis using 16S rRNA sequencing and nanopore genome sequencing, and then identified a sequence encoding a laccase with a predicted molecular weight of approximately 27.5 kDa. Expression of the corresponding, chemically synthesized DNA fragment resulted in the isolation of an active laccase. The enzyme showed considerable thermostability, retaining 21% of its activity after boiling for 30 min. Using state‐of‐the‐art information technology and machine learning techniques, we conducted 3D‐structure prediction on this sequence, predicted its copper‐ion binding sites, and validated these predictions through site‐directed mutagenesis and expression. Subsequently, we performed computer‐aided evolution studies on this sequence and found that 90% of the results from the selected mutations exhibited improved performance. In summary, this study not only revealed a novel laccase but also demonstrated an efficient approach for advancing research on the molecular evolution of bacterial laccases using cutting‐edge machine learning, next‐generation sequencing, traditional bioinformatics approaches, and laboratory techniques, providing an effective strategy for discovering and design new bacterial laccases.
Design, synthesis, and biological evaluation of oxime ether derivatives containing 1,5‐dimethyl‐6‐thioxo‐1,3,5‐triazinane‐2,4‐dione as protoporphyrinogen IX oxidase inhibitors
Authors: Luo Dingfeng , Wan Yuanhui , Wang Yingying , Ma Changsheng , Li Hao , Yan Sheng , Bai Zhendong , Bai Lianyang , Li Zuren 
Published: February 2025

AbstractBACKGROUNDHerbicides based on protoporphyrinogen IX oxidase (PPO; EC 1.3.3.4) are widely used for weeding control in agricultural fields to safeguard food security. PPO herbicides, because of their low dosage, rapid action on weeds, slow accumulation in the environment and low toxicity to mammals, have become an important field of research in the development of new herbicides. This study presents a novel molecular scaffold with remarkably potent herbicidal activity.RESULTSA series of novel oxime ether derivatives containing 1,5‐dimethyl‐6‐thioxo‐1,3,5‐triazinane‐2,4‐dione 6a–6z were designed and synthesized based on bioisosterism and substructure splicing, and characterized by 1H and 13C nuclear magnetic resonance spectroscopies, and high‐resolution mass spectrometry. The configuration of compound 6u was confirmed by single‐crystal X‐ray diffraction. Compound 6r displayed excellent herbicidal activity of >95% against Echinochloa crus‐galli, Digitaria sanguinalis, Medicago sativa and Conyza canadensis at a dosage of 37.5 g hm–2 in the glasshouse. At a dosage of 75 g hm–2, 6r was safe for application on rice and showed low toxicity (>200 μg g–1) towards Apis mellifera. Transcriptomics analysis of E. crus‐galli treated by compound 6r, using oxadiazon as a positive control, revealed the compound's mode‐of‐action. There were eight metabolic and biosynthetic pathways of DEGs containing ‘photosynthesis’, ‘porphyrin metabolism’, ‘carotenoid biosynthesis’ and so on between 6r and oxadiazon as same. Scaffold94.443 (coproporphyrinogen‐III oxidase) as upstream protoporphyrinogen IX changes were downregulated with quantitative reverse transcription PCR combined analysis treated 6r and oxadiazon in chlorophyll biosynthesis. Compound 6r target may be PPO and the NtPPO inhibitory effects, as represented by Ki, was 30.34 nm in vitro. Molecular docking showed that 6r could form two hydrogen bonds with Arg98.CONCLUSIONThrough bioisosterism and substructure splicing, we successfully developed compound 6r as lead compound exhibiting herbicidal activity, with no harm to rice and honeybees. Further development of herbicides based on this scaffold is warranted. © 2025 Society of Chemical Industry.
Assessment of Practical Satellite Quantum Key Distribution Architectures for Current and Near‐Future Missions
Authors: Orsucci Davide , Kleinpaß Philipp , Meister Jaspar , De Marco Innocenzo , Häusler Stefanie , Strang Thomas , Walenta Nino , Moll Florian 
Published: February 2025

ABSTRACTQuantum key distribution (QKD) allows the generation of cryptographic keys beyond the computational hardness paradigm and is befitting for secure data transmission requiring long‐term security. The communication distance of fiber‐based QKD, however, is limited to a few hundred kilometers due to the exponential scaling of signal attenuation. Satellite QKD (SatQKD) can instead leverage free‐space optical links to establish long‐range connections and enable global‐scale QKD. In this work, we review the manifold of design choices that concur to form the set of possible SatQKD architectures. These include the choice of the QKD protocol and its physical implementation, but also the satellite orbit, the optical link direction, and whether or not to use trusted‐node relays. The possible SatQKD architectures are then evaluated in terms of key generation throughput, latency and maximum reachable communication distance, but also system‐level security and implementation complexity. Given the technical challenges of realizing SatQKD systems, it is paramount, for near‐future satellite missions, to adhere to the simplest possible architecture that still allows to deliver the QKD service. We thus identify as advisable options the use of low‐Earth orbit satellites as trusted nodes for prepare‐and‐measure discrete‐variable QKD downlinks with weak laser pulses. The decoy‐state version of BB84 is found to be the most promising QKD protocols due to the maturity of the security proofs, the high key generation rate, and low system complexity. These findings are confirmed by the multitude of current and planned SatQKD missions that are adopting these architectural choices.
Exposing and Challenging “Grit” in Physics Education
Authors: Robertson Amy , Vélez Verónica N. , Hu﻿﻿﻿ynh Trà , Tali Hairston W. 
Published: February 2025

ABSTRACTIn STEM education, grit is increasingly the focus of research, with scholars and educators seeking to develop and test interventions that will enhance persistence. As part of the special issue Centering Affect and Emotion Toward Justice and Dignity in Science Education, in this paper, we use interviews with 12 white physics faculty to show that physics culture has taken up the narrative that grit is key to success in the discipline. Using affective technology (Zembylas and Leonardo, 2013), habitus (Bourdieu, 1972/1977) and emotional habitus (Gould et al. 2019) as theoretical anchors, our analysis shows that grit, as described by faculty participants, is part‐and‐parcel of a white physics habitus. In other words, grit acts to reproduce systems of dominance through the internalization of a set of structures, symbols, and worldviews that produce embodied, affective responses, drawing dominant actors toward particular embodiments of hard work and turning them away from others. Thus, we argue that power in physics is mediated through affect and embodiment. Employing qualitative case study methods, we theorize how whiteness, in part, is reproduced in the discipline—how physics came to and continues to be a discipline where power is concentrated in the bodies of white males. We end by joining with existing calls to refuse grit, building from the work of STEM Scholars of Color who have called attention to the suffering that is endemic to notions of schooling and school science.
Evaluating Biodiversity Criteria in Green Building Rating Schemes: Toward ‘Nature Positive’ Development
Authors: Kiss Bethany M. , Visintin Casey , Garrard Georgia E. , Bekessy Sarah A. 
Published: February 2025

ABSTRACTAiming for a ‘nature positive’ future, built environment professionals increasingly adopt green building schemes as their roadmap. We review the most widely adopted green building rating schemes globally, focusing on evaluating their criteria for biodiversity action. We highlight key shortcomings in schemes, including that most do not specify biodiversity objectives (85%), lack monitoring plans (47%), lack ecological connectivity plans (76%) and allocate < 10% of available points to biodiversity (72%). Most schemes focus on mitigating harm (91%) or compensating unavoidable impacts via offsetting as the solution (3.4%) rather than rewarding positive, regenerative approaches that bring nature back into urban areas. These findings highlight critical gaps in how green building schemes address biodiversity, particularly given the call for regenerative approaches within the nature‐positive agenda. We suggest re‐evaluating and transforming specific aspects of green rating building schemes, including biodiversity objectives and monitoring strategies. These are critical improvements in the evolution toward nature‐positive approaches.