bluuebunny/crossref_metadata_2025_split huggingface dataset:
Reducing training data needs with minimal multilevel machine learning (M3L)
Authors: Heinen Stefan , Khan Danish , Falk von Rudorff Guido , Karandashev Konstantin , Jose Arismendi Arrieta Daniel , Price Alastair J A , Nandi Surajit , Bhowmik Arghya , Hermansson Kersti , Anatole von Lilienfeld O 
Published: May 2024

Abstract
For many machine learning applications in science, data acquisition, not training, is the bottleneck even when avoiding experiments and relying on computation and simulation. Correspondingly, and in order to reduce cost and carbon footprint, training data efficiency is key. We introduce minimal multilevel machine learning (M3L) which optimizes training data set sizes using a loss function at multiple levels of reference data in order to minimize a combination of prediction error with overall training data acquisition costs (as measured by computational wall-times). Numerical evidence has been obtained for calculated atomization energies and electron affinities of thousands of organic molecules at various levels of theory including HF, MP2, DLPNO-CCSD(T), DFHFCABS, PNOMP2F12, and PNOCCSD(T)F12, and treating them with basis sets TZ, cc-pVTZ, and AVTZ-F12. Our M3L benchmarks for reaching chemical accuracy in distinct chemical compound sub-spaces indicate substantial computational cost reductions by factors of ∼1.01, 1.1, 3.8, 13.8, and 25.8 when compared to heuristic sub-optimal multilevel machine learning (M2L) for the data sets QM7b, QM9

LCCSD
(
T
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, Electrolyte Genome Project, QM9

AE

CCSD
(
T
)

, and QM9

EA

CCSD
(
T
)

, respectively. Furthermore, we use M2L to investigate the performance for 76 density functionals when used within multilevel learning and building on the following levels drawn from the hierarchy of Jacobs Ladder: LDA, GGA, mGGA, and hybrid functionals. Within M2L and the molecules considered, mGGAs do not provide any noticeable advantage over GGAs. Among the functionals considered and in combination with LDA, the three on average top performing GGA and Hybrid levels for atomization energies on QM9 using M3L correspond respectively to PW91, KT2, B97D, and τ-HCTH, B3LYP

∗

(VWN5), and TPSSH.
Symbolic Reproduction in Early Medieval England
Authors: Sykes Katharine 
Published: May 2024

Abstract
In the early middle ages, the conversion of the early English kingdoms acted as a catalyst for significant social and cultural change. One of the most visible of these changes was the introduction of a new type of household—the monastic household—which reproduced through education and training, rather than biological means, and whose inhabitants practised celibacy as a lifelong state, rather than as a stage in the life-course. Because monastic households were dependent on secular households for the production of the next generation of recruits, previous studies have tended to view them as more mutable than their secular counterparts, which are implicitly regarded as natural and ahistorical. This book charts some of the key changes to the structure of households between the seventh and eleventh centuries, as ideas that were first fostered in monastic households, such as ideas of spiritual, non-biological reproduction, were adopted in royal households in the tenth and eleventh centuries, and as ideas about kinship that were generated in secular households, such as the relationship between genealogy and inheritance, were picked up and applied by their monastic counterparts. In place of binary divisions between secular and monastic, biological and spiritual, real and imagined, this study demonstrates that different forms of kinship and reproduction were intimately linked.
Conclusion
Authors: Sykes Katharine 
Published: May 2024

Abstract
The period 600–1100 saw considerable change in the symbolism and structure of the household, as a result of the introduction of ‘new and unknown forms of life’ in the wake of the conversions of the seventh century. Chief among these were the practice of lifelong virginity and the creation of single-sex households, which required rethinking of reproduction and marriage. These changes represent the origins of mutations which have generally been associated with the ninth and tenth centuries (the transformations of the year 1000): although mutations in both secular and monastic households become increasingly visible at this point, their roots lay much further in the past. Furthermore, changes to the structure of secular and monastic households were interdependent and intertwined; like DNA, they formed a double helix.
Persistent changes in calcium-regulating hormones and bone turnover markers in living kidney donors more than 20 years after donation
Authors: Grossardt Brandon R , Maradit Kremers Hilal , Miller Adam R , Kasiske Bertram L , Matas Arthur J , Khosla Sundeep , Kremers Walter K , Amer Hatem , Kumar Rajiv 
Published: May 2024

Abstract
In a previous study, we observed decreased 1,25-dihydroxyvitamin D levels, secondary hyperparathyroidism, and increased bone turnover markers in living kidney donors (LKDs) at 3 months and 36 months after kidney donation. In our recent survey-based study, we found no increased risk of fractures of all types but observed significantly more vertebral fractures in LKDs compared with matched controls. To elucidate the long-term effects of kidney donation on bone health, we recruited 139 LKDs and 139 age and sex matched controls from the survey-based participants for further mechanistic analyses. Specifically, we assessed whether LKDs had persistent abnormalities in calcium- and phosphorus-regulating hormones and related factors, in bone formation and resorption markers, and in density and microstructure of bone compared with controls. We measured serum markers, bone mineral density (BMD), bone microstructure and strength (via high-resolution peripheral quantitative computed tomography and micro-finite element analysis [HRpQCT]), and advanced glycation end-products in donors and controls. LKDs had decreased 1,25-dihydroxyvitamin D concentrations (donors mean 33.89 pg/mL vs. controls 38.79 pg/mL, percent difference = -12.6%; P &lt; .001), increases in both parathyroid hormone (when corrected for ionized calcium; donors mean 52.98 pg/mL vs. controls 46.89 pg/mL,% difference 13%; P = .03) and ionized calcium levels (donors mean 5.13 mg/dL vs. controls 5.04 mg/dL; P &lt; .001), and increases in several bone resorption and formation markers versus controls. LKDs and controls had similar measures of BMD; however, HRpQCT suggested that LKDs have a statistically insignificant tendency toward thinner cortical bone and lower failure loads as measured by micro-finite element analysis. Our findings suggest that changes in the hormonal mileu after kidney donation and the long-term cumulative effects of these changes on bone health persist for decades after kidney donation and may explain later-life increased rates of vertebral fractures.
A Linguistic Analysis of United States Navy Orthopaedic Surgery Applicant Personal Statements
Authors: Colon-Morillo Reinaldo E , Chennupati Nithya , Tompane Trevor , Healy Nicholas , Janney Cory 
Published: May 2024

ABSTRACT

Introduction
Despite the importance of linguistic analysis, no systematic research has been explored in the form of linguistic analysis on personal statements for military orthopedic surgery residency programs. This study was conducted to analyze U.S. Navy (USN) orthopedic surgery applicants’ personal statements using an automated textual analysis program to assess personal statements for linguistic styles.

Methods
A retrospective analysis of USN orthopedic applicant personal statements from application years 2016 to 2019 was performed utilizing the Linguistic Inquiry and Word Count (LIWC) software. LIWC analyzed the text for summary variables: analytical thinking, clout, authenticity, and emotional tone. We compared this analysis with Step 1 and Step 2 scores and determined whether an applicant matched.

Results
A total of 94 personal statements (60,230 words) were analyzed using LIWC. The average word count was 640.7, with an average of 23 words per sentence. The average-matched applicant USMLE Step 1 and Step 2 scores were 240 and 250, respectively. When examining summary traits utilizing multiple logistic regression analysis, only analytical thinking demonstrated a statistically significant difference in matched versus unmatched applicants with a P = .011 (OR = 1.10).

Conclusion
As the USMLE Step 1 exam transitions from a scoring system to Pass/Fail grading, programs will look at other characteristics to determine who would likely succeed in residency. From a linguistic analysis standpoint, matched applicants’ personal statements demonstrated higher analytical thinking, clout, affiliation, power, and risk focus than unmatched applicants. Unmatched applicants demonstrated higher authenticity than matched applicants.
Widespread occurrence and diverse origins of polintoviruses influence lineage-specific genome dynamics in stony corals
Authors: Stephens Danae , Faghihi Zahra , Moniruzzaman Mohammad 
Published: May 2024

Abstract
Stony corals (Order: Scleractinia) are central to vital marine habitats known as coral reefs. Numerous stressors in the Anthropocene are contributing to the ongoing decline in coral reef health and coverage. While viruses are established modulators of marine microbial dynamics, their interactions within the coral holobiont and impact on coral health and physiology remain unclear. To address this key knowledge gap, we investigated diverse stony coral genomes for ‘endogenous’ viruses. Our study uncovered a remarkable number of integrated viral elements recognized as ‘Polintoviruses’ (Class Polintoviricetes) in thirty Scleractinia genomes; with several species harboring hundreds to thousands of polintoviruses. We reveal massive paralogous expansion of polintoviruses in stony coral genomes, alongside the presence of integrated elements closely related to Polinton-like viruses (PLVs), a group of viruses that exist as free virions. These results suggest multiple integrations of polintoviruses and PLV-relatives, along with paralogous expansions, shaped stony coral genomes. Re-analysis of existing gene expression data reveals all polintovirus structural and non-structural hallmark genes are expressed, providing support for free virion production from polintoviruses. Our results, revealing a significant diversity of polintovirus across the Scleractinia order, open a new research avenue into polintovirus and their possible roles in disease, genomic plasticity, and environmental adaptation in this key group of organisms
Can Artificial Intelligence Be Utilized to Predict Real-Time Adverse Outcomes in Individuals Arriving at the Emergency Department With Hyperglycemic Crises?
Authors: Bhimani Alisha Amin , Frenkel Tova Safier , Hasham Adam Kaizer 
Published: May 2024

This column on translating research into practice is crafted to offer advanced practice registered nurses an analysis of current research topics that hold practical relevance for emergency care settings. The article titled “Using Artificial Intelligence to Predict Adverse Outcomes in Emergency Department Patients With Hyperglycemic Crises in Real Time,” authored by C. Hsu et al. (2023), investigates through a randomized control trial, the effectiveness of artificial intelligence as a practical tool compared with the traditional predicting hyperglycemic crisis death score to clinically predict adverse outcomes in individuals presenting to the emergency department with hyperglycemic crises. The results are discussed in the context of averting adverse outcomes associated with sepsis/septic shock, intensive care unit admission, and all-cause mortality within a 1-month time frame.
Pharmacological Approach for Symptomatic Nonsustained Ventricular Tachycardia
Authors: Obeso-Martinez Ida , Raissi Farshad 
Published: May 2024

Nonsustained ventricular tachycardia (NSVT) is a common arrhythmia associated with heart failure, cardiomyopathy, coronary artery disease, electrolyte imbalances, and congenital heart disorders (Foth et al., 2023). NSVT is often asymptomatic depending on its burden percentage. However, typical NSVT presentation in the emergency department (ED) includes palpitations, near-syncope, dizziness, skipped beats, chest pain, and/or dyspnea (Katritsis et al., 2012). In some instances, NSVT can present with elevated or slightly elevated troponin from demand ischemia. A definite diagnosis of NSVT is not of high complexity; nevertheless, it is not always identified on electrocardiogram (ECG) by the time the patient arrives to the ED. Identification of NSVT usually requires prolonged cardiac monitoring, mobile cardiac telemetry (MCT), and in some instances internal loop recorder placement. The purpose of this case is to discuss the typical presentation and pharmacological approach of patients with stable NSVT.
Bleeding Reversal With Antifibrinolytics or Cryoprecipitate Following Thrombolysis for Acute Ischemic Stroke
Authors: Bailey Abby M. , Baum Regan , Nestor Melissa , Platt Thomas 
Published: May 2024

Patients who develop an intracerebral hemorrhage (ICH) following thrombolysis in acute ischemic stroke (AIS) have a mortality rate as high as 50%. Treatment options include blood products, such as cryoprecipitate, or antifibrinolytics, such as tranexamic acid (TXA) or ε-aminocaproic acid (EACA). Current guidelines recommend cryoprecipitate first-line despite limited data to support one agent over another. In addition, compared to antifibrinolytics, cryoprecipitate is higher in cost and requires thawing before use. This case series seeks to characterize the management of thrombolytic reversal at a single institution as well as provide additional evidence for antifibrinolytics in this setting. Patients were included for a retrospective review if they met the following criteria: presented between January 2011–January 2017, were >18 years of age, were admitted for AIS, received a thrombolytic, and received TXA EACA, or cryoprecipitate. Twelve patients met the inclusion criteria. Ten (83.3%) developed an ICH, one (8.3%) experienced gastrointestinal bleeding, and one (8.3%) had bleeding at the site of knee arthroscopy. Eleven patients received cryoprecipitate (median dose: 10 units), three received TXA (median dose: 1,000 mg), and one patient received EACA (13 g). TXA was administered faster than the first blood product at a mean time of 19 min and 137 min, respectively. Hemorrhagic expansion (N = 8, 66.67%) and inhospital mortality (N = 7, 58.3%) were high. While limited by its small sample size, this case series demonstrates significant variability in reversal strategies for thrombolysis-associated bleeding. It also provides additional evidence for the role of antifibrinolytics in this setting.
Laboratory characterization of hydrothermally processed oligopeptides in ice grains emitted by Enceladus and Europa
Authors: Khawaja Nozair , Hortal Sánchez Lucía , O’Sullivan Thomas R. , Bloema Judith , Napoleoni Maryse , Klenner Fabian , Beinlich Andreas , Hillier Jon , John Timm , Postberg Frank 
Published: May 2024

The Cassini mission provided evidence for a global subsurface ocean and ongoing hydrothermal activity on Enceladus, based on results from Cassini’s mass spectrometers. Laboratory simulations of hydrothermal conditions on icy moons are needed to further constrain the composition of ejected ice grains containing hydrothermally altered organic material. Here, we present results from our newly established facility to simulate the processing of ocean material within the temperature range 80–150°C and the pressure range 80–130 bar, representing conditions suggested for the water–rock interface on Enceladus. With this new facility, we investigate the hydrothermal processing of triglycine (GGG) peptide and, for the first time, analyse the extracted samples using laser-induced liquid beam ion desorption (LILBID) mass spectrometry, a laboratory analogue for impact ionization mass spectrometry of ice grains in space. We outline an approach to elucidate hydrothermally processed GGG in ice grains ejected from icy moons based on characteristic differences between GGG anion and cation mass spectra. These differences are linked to hydrothermal processing and thus provide a fingerprint of hydrothermal activity on extraterrestrial bodies. These results will serve as important guidelines for biosignatures potentially obtained by a future Enceladus mission and the SUrface Dust Analyzer (SUDA) instrument onboard Europa Clipper.
This article is part of the theme issue ‘Dust in the Solar System and beyond’.
Splendidivirga corallicola gen. nov., sp. nov. and Agaribacillus aureus gen. nov., sp. nov., two bacteria isolated from coral Porites lutea, and proposal of Splendidivirgaceae fam. nov.
Authors: Li Jin , Luo Jixin , Li Mi , Wang Chenyan , Hu Siyu , Lu Kun , Wang Guanghua 
Published: May 2024

The Bacteroidota is one of the dominant bacterial phyla in corals. However, the exact taxa of those coral bacteria under the Bacteroidota are still unclear. Two aerobic, Gram-stain-negative, non-motile rods, designated strains BMA10T and BMA12T, were isolated from stony coral Porites lutea collected from Weizhou Island, PR China. Global alignment of 16S rRNA gene sequences indicated that both strains are closest to species of Fulvivirga with the highest identities being lower than 93 %, and the similarity value between these two strains was 92.3 %. Phylogenetic analysis based on 16S rRNA gene and genome sequences indicated that these two strains form an monophylogenetic lineage alongside the families Fulvivirgaceae, Reichenbachiellaceae, Roseivirgaceae, Marivirgaceae, Cyclobacteriaceae, and Cesiribacteraceae in the order Cytophagales, phylum Bacteroidota. The genomic DNA G+C contents of BMA10T and BMA12T were 38.4 and 41.9 mol%, respectively. The major polar lipids of BMA10T were phosphatidylethanolamine, unidentified aminophospholipid, four unidentified aminolipids, and five unidentified lipids. While those of BMA12T were phosphatidylethanolamine, two unidentified aminolipids, and five unidentified lipids. The major cellular fatty acids detected in both isolates were iso-C15 : 0 and C16 : 1
ω5c. Carbohydrate-active enzyme analysis indicated these two strains may utilize coral mucus or chitin. Based on above characteristics, these two strains are suggested to represent two new species in two new genera of a new family in the order Cytophagales, for which the name Splendidivirga corallicola gen. nov., sp. nov., Agaribacillus aureus gen. nov., sp. nov. and Splendidivirgaceae fam. nov. are proposed. The type strain of S. corallicola is BMA10T (=MCCC 1K08300T=KCTC 102045T), and that for A. aureus is BMA12T (=MCCC 1K08309T=KCTC 102046T).
Combining Transdiagnostic and Disorder-Level GWAS Enhances Precision of Psychiatric Genetic Risk Profiles in a Multi-Ancestry Sample
Authors: Khan Yousef , Davis Christal N. , Jinwala Zeal , Feuer Kyra L. , Toikumo Sylvanus , Hartwell Emily E. , Sanchez-Roige Sandra , Peterson Roseann E. , Hatoum Alexander S. , Kranzler Henry R. , Kember Rachel L. 
Published: May 2024

AbstractThe etiology of substance use disorders (SUDs) and psychiatric disorders reflects a combination of both transdiagnostic (i.e., common) and disorder-level (i.e., independent) genetic risk factors. We applied genomic structural equation modeling to examine these genetic factors across SUDs, psychotic, mood, and anxiety disorders using genome-wide association studies (GWAS) of European-(EUR) and African-ancestry (AFR) individuals. In EUR individuals, transdiagnostic genetic factors represented SUDs (143 lead single nucleotide polymorphisms [SNPs]), psychotic (162 lead SNPs), and mood/anxiety disorders (112 lead SNPs). We identified two novel SNPs for mood/anxiety disorders that have probable regulatory roles onFOXP1,NECTIN3, andBTLAgenes. In AFR individuals, genetic factors represented SUDs (1 lead SNP) and psychiatric disorders (no significant SNPs). The SUD factor lead SNP, although previously significant in EUR- and cross-ancestry GWAS, is a novel finding in AFR individuals. Shared genetic variance accounted for overlap between SUDs and their psychiatric comorbidities, with second-order GWAS identifying up to 12 SNPs not significantly associated with either first-order factor in EUR individuals. Finally, common and independent genetic effects showed different associations with psychiatric, sociodemographic, and medical phenotypes. For example, the independent components of schizophrenia and bipolar disorder had distinct associations with affective and risk-taking behaviors, and phenome-wide association studies identified medical conditions associated with tobacco use disorder independent of the broader SUDs factor. Thus, combining transdiagnostic and disorder-level genetic approaches can improve our understanding of co-occurring conditions and increase the specificity of genetic discovery, which is critical for psychiatric disorders that demonstrate considerable symptom and etiological overlap.
Characterization of high affinity IgM and IgG monoclonal antibodies against norovirus variants GII.4 and GII.17
Authors: Tagawa Jumpei , Yanaka Saeko , Kato Yuri , Masuda Akitsu , Lee Jae Man , Senoo Akinobu , Oyama Kosuke , Nishida Motohiro , Kusakabe Takahiro , Caaveiro Jose M.M. 
Published: May 2024

AbstractHuman norovirus, a leading cause of viral gastroenteritis, results in significant global health and economic burden, requiring sensitive and accurate diagnosis and effective therapeutics and vaccines. In this study, we immunized mice with the virus like capsid particles of GII.4, a mainstream strain, and GII.17, a modern strain that began to circulate in 2014, and used hybridoma technology to generate hybridoma cells that produce norovirus-binding antibodies against GII.4 and GII.17, respectively. Selection of these hybridoma cells yielded monoclonal IgG and IgM antibodies against these strains. Characterization of these antibodies revealed that avidity effect by multivalent binding is necessary for IgM to bind to norovirus at high efficiency, while IgG achieve high affinity even by monovalent binding. Surface plasmon resonance and ELISA data suggest that the high density of antigen protrusion domain in the norovirus capsid, containing approximately protomers, facilitates IgM to bind to norovirus capsid with high efficiency.