bluuebunny/crossref_metadata_2025_split huggingface dataset:
Gold(I)-Catalyzed Dearomatization–Allenene Reaction for the Construction of Polycycles with Excellent Diastereoselectivity
Authors: Haberhauer Gebhard , Semleit Nina 
Published: June 2023

AbstractThe synthesis of complex polycycles starting from simple building blocks in just a few reaction steps is usually very challenging. Herein, we present the gold(I)-catalyzed synthesis of various polycycles via the dearomatization–allenene reaction of aryl propargyl ethers with different nucleophiles. Depending on the starting material, polycycles can be isolated in yields up to 94% and with an enantiomeric excess of 95%. Quantum chemical calculations show that for all starting materials a Claisen rearrangement to the allenene occurs in the first reaction sequence. The subsequent cyclization and reaction with a nucleophile leads to various polycycles with the formation of up to six new C–C bonds in only one reaction step. All reactions proceed with excellent dia­stereoselectivity, with an α-quaternary carbonyl carbon present in the products.
Safety and Efficacy of Vacuum-Assisted Breast Biopsies under Ultrasound and Stereotactic Guidance
Authors: Thakkar Popat Palak Bhavesh , Karbhari Aashna , Shetty Nitin , Gala Kunal , Haria Purvi , Katdare Aparna , Chauhan Sonal , Parmar Vani , Nair Nita , Joshi Shalaka , Desai Sangeeta , Shet Tanuja , Patil Asawari , Sahay Ayushi , Thakur Meenakshi , Badwe Rajendra , Kulkarni Suyash 
Published: June 2023

Abstract
Purpose To evaluate the safety and efficacy of vacuum-assisted breast biopsy (VABB) under ultrasound and stereotactic guidance.
Methods This institutionally approved retrospective analysis comprised 60 females who underwent VABB under ultrasound and stereotactic guidance. Technical success and adverse events were analyzed as per the Society of Interventional Radiology standards. Pain score was recorded as per the visual analog scale.
Results Technical success was 100% with high specificity (100%), sensitivity (96%), negative predictive value 97%, and accuracy of 98%. Ductal carcinoma in situ underestimation rate was 4%. No major complications were encountered, and minor complication of postprocedural hematoma did not require intervention. Procedure was well tolerated with majority patients experiencing mild pain.
Conclusion VABB under ultrasound and stereotactic guidance is a safe and effective method for sampling breast abnormalities.
NETosis in Acute Thrombotic Disorders
Authors: Bressan Alessandro , Faggin Elisabetta , Donato Maristella , Tonon Luca , Buso Roberta , Nardin Chiara , Tiepolo Marta , Cinetto Francesco , Scarpa Riccardo , Agostini Carlo , Pauletto Paolo , Ventura Laura , Fusaro Michele , Felice Carla , Rattazzi Marcello 
Published: June 2023

AbstractThe release of extracellular traps by neutrophils (NETs) represents a novel active mechanism of cell death that has been recently implicated in the pathogenesis of thrombotic disorders. The aim of this study was to investigate the generation of NETs in different groups of patients with acute thrombotic events (ATEs) and to establish whether NETs markers can predict the risk of new cardiovascular events. We performed a case–control study of patients with ATE, including acute coronary syndrome (n = 60), cerebrovascular accident (n = 50), and venous thromboembolism (n = 55). Control subjects (n = 70) were identified among patients admitted for acute chest pain and in which a diagnosis of ATE was excluded. Serum levels of NET markers and neutrophil activation, such as myeloperoxidase (MPO)-DNA complexes, neutrophil gelatinase-associated lipocalin, polymorphonuclear neutrophil elastase, lactoferrin, and MPO, were measured in each patient. We found that circulating levels of MPO-DNA complexes were significantly increased in patients with ATE (p < 0.001) compared with controls and that this association remained significant even after fully adjustment for traditional risk factors (p = 0.001). A receiver operating characteristics analysis of circulating MPO-DNA complexes in discriminating between controls and patients with ATE showed a significant area under the curve of 0.76 (95% confidence interval: 0.69–0.82). After a median follow-up of 40.7 (± 13.8) months, 24 out of the 165 patients with ATE presented a new cardiovascular event and 18 patients died. None of the markers under investigation influenced survival or the incidence of new cardiovascular events. In conclusion, we found that increase of markers of NETosis can be observed in acute thrombotic conditions, occurring both on the arterial and venous site. Nevertheless, the level of neutrophil markers measured during the ATE is not predictive of future risk of mortality and cardiovascular events.
SMARCB1-Retained and SMARCB1-Deficient SNUC are Genetically Distinct: A Pilot Study Using RNA Sequencing
Authors: Chitguppi Chandala , Rosen Marc , Nyquist Gurston , Toskala Elina , Evans James , Gargano Stacey , Tuluc Madalina , Ertel Adam , Dsouza Glen , Addya Sankar , Johnson Jennifer , Bar-Ad Voichita , Rabinowitz Mindy 
Published: June 2023

AbstractBackground Understanding the genetic basis for the molecular classification of sinonasal undifferentiated carcinoma (SNUC) based on SMARCB1 may improve our understating regarding the nature of the disease. The objective of the study was to compare the genetic profile of SMARCB1-retained (SR-SNUC) and SMARCB1-deficient SNUC (SD-SNUC).Methods Formalin-fixed, paraffin-embedded tissue from treatment-naive patients with SNUC were selected. Three cases of SR-SNUC, four cases of SD-SNUC, and four samples of nontumor tissue (control samples) were selected. Ribonucleic acid (RNA) sequencing was performed.Results SR-SNUC had a higher number of variants (1 variant for every 15,000 bases) compared with SD-SNUC (1 variant every 29,000 bases). The ratio of missense to silent mutation ratio was higher for SR-SNUC (0.8) as compared with SD-SNUC (0.7). Approximately 1,500 genes were differentially expressed between SR-SNUC and SD-SNUC. The genes that had a higher expression in SR-SNUC included TPD52L1, B3GNT3, GFY, TJP3, ELL3, CYP4F3, ALDH3B2, CKMT1B, VIPR1, SLC7A5, PPP2R2C, UPK3B, MUC1, ELF5, STY7, and H2AC14. The gene that had a higher expression in SD-SNUC was ZFHX4. Most of these genes were related to either protein translation or immune regulation. The most common (n = 3, 75%) mechanisms of loss of SMARCB1 gene in SD-SNUC was loss of heterozygosity.Conclusion RNA sequencing is a viable and informative approach for genomic profiling of archival SNUC samples. Both SR-SNUC and SD-SNUC were noted to have distinct genetic profiles underlying the molecular classification of these diseases.
The “Bubble Test” in the Arthroscopic Diagnosis of Triangular Fibrocartilage Central Lesion: Description and Relevance to Treatment
Authors: Oliveira Ricardo Kaempf de , Brunelli João Pedro Farina , Aita Márcio , Zaidenberg Ezequiel , Delgado Pedro J. 
Published: June 2023

Abstract
Background Ulnarly sided wrist pain is a common and challenging symptom. Arthroscopy has become a safe and effective tool for the correct diagnosis and treatment, proving to be better than all other clinical and imaging diagnostic methods. Some tests have been described for the diagnosis of triangular fibrocartilage (TFC) lesions, such as the trampoline test for peripheral lesions and the hook, ghost, and suction tests for foveal detachments. In tears at the disc level, when they affect all layers of the TFC (complete lesion) at the same point, testing with the probe will usually suffice for the diagnosis. However, in some apparently partial lesions, the probe cannot pass through all layers because the proximal and distal sites of the lesion are not aligned. There has been no arthroscopic test described for such cases.
Case Description We describe a simple and practical test that we have called the “bubble test” in a typical case to diagnose TFC central injuries, aiming to discriminate partial from complete lesions, which are eventually hard to differentiate through direct vision and arthroscopic probing, leading to a direct influence onto the treatment. The bubble test is performed with external compression of the distal radioulnar joint (DRUJ) aspect, with the thumb on the back of the DRUJ and the index and middle fingers onto the volar aspect. The abrupt compression of this region causes the passage of air mixed with synovial fluid from the DRUJ to the radiocarpal joint, generating bubble formation.
Clinical Relevance The bubble test should correlate to physical examination and imaging (magnetic resonance imaging [MRI]) findings and is particularly useful in central and degenerative (Type II) TFC lesions in patients complaining of chronic pain on the ulnar region of the wrist, with no history of trauma and with inconclusive MRI findings. Once the diagnosis is confirmed, arthroscopic treatment consists of wide debridement of the lesion with resection of the injured tissue and the local inflammatory reaction. Thus, it is essential for the correct treatment to define the exact location of the lesion and to know whether the disc injury is complete.
Factors Influencing Compensation of Early Career Neonatologists
Authors: Bhatia Anisha , Nestander Matt , Lucke Ashley , Bernstein Sarah M. , Gautam Shiva , Horowitz Eric , Day Colby 
Published: June 2023

Objective Workforce characteristics and compensation specific to early career neonatologists remain poorly defined. Lack of transparency surrounding compensation limits benchmarking for neonatologists entering the workforce and may negatively influence individual lifetime earnings. Our objective was to provide granular data for this unique subpopulation by defining employment characteristics and factors influential to compensation of early career neonatologists.
Study Design An anonymous 59-question cross-sectional electronic survey was distributed to eligible members of American Academy of Pediatrics Trainees and Early Career Neonatologists. A focused analysis was conducted on salary and bonus compensation data collected from the survey instrument. Respondents were classified based on primary site of employment: nonuniversity located (e.g., private practice, hospital employed, government/military, and hybrid employment groups) versus university located practice settings (e.g., work is primarily conducted in a neonatal intensive care unit (NICU) setting located within a university organization). Median quantile regression was used to conduct univariate and multivariate analyses using SAS Software version 9.4.
Results We received 348 responses (26.7% response rate). Median salary was $220,000 (interquartile range: $200,000–250,000). Factors associated with salary include academic rank (instructor: $196,000; assistant professor: $220,000 [12% increase; p < 0.001]; associate professor: $260,000 [18% increase]; p = 0.027) and years of experience (p = 0.017), after adjusting for relevant factors. Employment location, practice type, group size, clinical schedule, location of medical school training, and gender identity did not significantly influence salary in multivariate quantile regression. Median annual bonus was $7,000 higher for nonuniversity located positions ($20,000 vs. 13,000; p = 0.021), with assumption of additional administrative roles and practice group seniority as most commonly cited bonus criteria (p = 0.002 and <0.001, respectively).
Conclusion Academic rank and years of experience may influence salary. Bonus earnings are higher for nonuniversity located positions. Employment models are evolving to incorporate academic teaching appointments while practicing in nonuniversity located NICUs. This is the first detailed compensation analysis of early career neonatologists.
Key Points
Biomechanical Comparison of Distal Radioulnar Joint Reconstruction Graft Preparation Techniques
Authors: Li Yibo , Beaudry Eric , Besada Nader , Chan Robert , Westover Lindsey 
Published: June 2023

Abstract
Background Graft preparation techniques for the Adams–Berger distal radioulnar joint (DRUJ) reconstruction vary among surgeons with insufficient evidence to support any specific technique.
Questions/Purposes We compared survival with cyclic loading, absolute elongation, elongation rate, and modes of failure of four graft preparation techniques.
Methods Fifteen porcine extensor tendons were divided into three equal groups: tendon only; tendon augmented along its full length with nonlocking 2–0 FiberLoop suture spaced at 6 mm intervals; and tendon with suture at 12 mm intervals. Suture only was also tested. Samples were woven through custom radius- and ulna-simulating jigs mounted on a mechanical testing machine. Samples underwent a staircase cyclic loading protocol and were then inspected visually for the mode of failure. Survival with cyclic loading, absolute elongation, and elongation rate was compared.
Results Average survival with cyclic loading of suture-augmented tendon was significantly higher than tendon only. All tendon groups had significantly higher survival compared with suture only. Absolute elongation was subject to variability due to initial nonlinear elongation behavior of samples. The elongation rate was significantly lower with suture compared with all tendon groups. Modes of failure included rupture of the tendon and/or suture at the simulated graft–bone interface and elongation of the entire construct without rupture.
Conclusions In this biomechanical study, augmentation of porcine tendons with suture spaced at either 6 or 12 mm for DRUJ reconstruction significantly increased survival to a staircase cyclic loading protocol
Clinical Relevance For the Adams–Berger reconstruction, tendon grafts augmented along their entire length by nonabsorbable braided suture are biomechanically superior to tendon alone.
Impact of Treatment Delay in Head and Neck Mucosal Melanoma on Overall Patient Survival
Authors: Martin Elaine C. , Abiri Arash , Tsutsumi Kotaro , Goshtasbi Khodayar , Torabi Sina J. , Kuan Edward C. 
Published: June 2023

Abstract
Objectives Head and neck mucosal melanoma (HNMM) is a rare malignancy with high mortality. This study evaluates the impact of treatment delays on overall survival in HNMM.
Design/Setting/Participants A retrospective review of patients with surgically managed HNMM treated with adjuvant radiation was performed from the 2004–2016 National Cancer Database.
Main Outcome Measures Durations of diagnosis-to-treatment initiation (DTI), surgery-to-radiotherapy initiation (SRT), duration of radiotherapy (RTD), surgery-to-immunotherapy initiation (SIT), diagnosis-to-treatment end (DTE), and total treatment package (TTP) were calculated.
Results A total of 1,011 patients (50.7% female, 90.5% Caucasian) met inclusion criteria. Median DTI, SRT, RTD, SIT, DTE, and TTP were 30, 49, 41, 102, 119, and 87 days, respectively. Only longer DTE was associated with decreased mortality (hazard ratio, 0.720; 95% confidence interval, 0.536–0.965; p = 0.028).
Conclusion DTI, SRT, RTD, SIT, and TTP do not significantly affect overall survival in patients with HNMM who undergo surgery and adjuvant radiation. Longer DTE is associated with improved survival in this population.
Level of Evidence 4.
Black box vs gray box: Comparing GAP and GPrep-DFTB for ruthenium and ruthenium oxide
Authors: Panosetti C. , Lee Y. , Samtsevych A. , Scheurer C. 
Published: June 2023

The increasing popularity of machine learning (ML) approaches in computational modeling, most prominently ML interatomic potentials, opened possibilities that were unthinkable only a few years ago—structure and dynamics for systems up to many thousands of atoms at an ab initio level of accuracy. Strictly referring to ML interatomic potentials, however, a number of modeling applications are out of reach, specifically those that require explicit electronic structure. Hybrid (“gray box”) models based on, e.g., approximate, semi-empirical ab initio electronic structure with the aid of some ML components offer a convenient synthesis that allows us to treat all aspects of a certain physical system on the same footing without targeting a separate ML model for each property. Here, we compare one of these [Density Functional Tight Binding with a Gaussian Process Regression repulsive potential (GPrep-DFTB)] with its fully “black box” counterpart, the Gaussian approximation potential, by evaluating performance in terms of accuracy, extrapolation power, and data efficiency for the metallic Ru and oxide RuO2 systems, given exactly the same training set. The accuracy with respect to the training set or similar chemical motifs turns out to be comparable. GPrep-DFTB is, however, slightly more data efficient. The robustness of GPRep-DFTB in terms of extrapolation power is much less clear-cut for the binary system than for the pristine system, most likely due to imperfections in the electronic parametrization.
Dynamics of C(3P) + OH(X 2Π) reaction on the new global HCO(X2A′) potential energy surface
Authors: Zhang Lulu , Zhao Juan , Wang Lifei , Song Yuzhi , Meng Qingtian , Liu Dong 
Published: June 2023

A precise analytical potential energy surface (PES) of HCO(X2A′) is fitted from a great quantity of ab initio energy points computed with the multi-reference configuration interaction method and aug-cc-pV(Q/5)Z basis sets. The whole energy points extrapolated to the complete basis set limit are fitted by the many-body expansion formula. The calculated topographic characteristics are analyzed and compared with the existing work to prove the precision of the present HCO(X2A′) PES. By utilizing the time-dependent wave packet and quasi-classical trajectory methods, the reaction probabilities, integral cross sections, and rate constants are computed. The results are compared in detail with the former results carried out on the other PES. Moreover, the provided information on stereodynamics leads to an in-depth understanding of the role of collision energy in product distribution.
Evaluation of functional kompetitive allele-specific PCR (KASP) markers for selection of drought-tolerant wheat (Triticum aestivum) genotypes
Authors: Rubab Marya , Jannat Summiya , Freeg Haytham , Abbas Hina , Attia Kotb A. , Fiaz Sajid , Zahra Nageen , Uzair Muhammad , Inam Safeena , Shah Asad Hussain , Kimiko Itoh , Naeem Muhammad Kashif , Khan Muhammad Ramzan 
Published: June 2023

Wheat (Triticum aestivum) is a major crop around the globe and different techniques are being used for its productivity enhancement. Germplasm evaluation to improve crop productivity mainly depends on accurate phenotyping and selection of genotypes with a high frequency of superior alleles related to the trait of interest. Therefore, applying functional kompetitive allele-specific PCR (KASP) markers for drought-related genes is essential to characterise the genotypes for developing future climate-resilient wheat crop. In this study, eight functional KASP markers and nine morphological traits were employed to evaluate the 40 wheat genotypes for drought tolerance. Morphological traits showed significant variation (P ≤ 0.05) among the genotypes, except tiller count (TC), fresh root weight (FRW) and dry root weight (DRW). PCA biplot showed that 63.3% phenotypic variation was explained by the first two PCs under control treatment, while 70.8% variation was explained under drought treatment. It also indicated that root length (RL) and primary root (PR) have considerable variations among the genotypes under both treatments and are positively associated with each other. Hence, the findings of this study suggested that both these traits could be used as a selection criterion to classify the drought-tolerant wheat genotypes. KASP genotyping accompanied by morphological data revealed that genotypes Markaz, Bhakar Star, China 2, Aas and Chakwal-50 performed better under drought stress. These outperforming genotypes could be used as parents in developing drought-tolerant wheat genotypes. Hence, KASP genotyping assay for functional genes or significant haplotypes and phenotypic evaluation are prerequisites for a modern breeding program.
Complementary uses of the magnetic vector potential for the understanding and teaching of electromagnetics
Authors: Adams J G , Duston C L 
Published: June 2023

Abstract
This work reports on the uses of the magnetic vector potential A for understanding, visualizing and teaching electromagnetic phenomena. The teaching benefits of this work include examples of numerical modeling that facilitate understanding, and complemenatary visualization approaches. To facilitate discussion of A we first include a brief section looking at ϕ in a system comprised of two hollow, positively charged spheres, demonstrating that the work required to bring the two spheres close together Q
ϕ is equal to change in the total integrated electric field energy density. We then introduce a system comprised of a hollow, positively charged sphere interacting with two parallel, current-carrying wires, for which

A

wires

is determined as a function of position. Two calculations of the field momentum of the system are compared and shown to be equal: the first is

Q

A

wires

, the second is the integration over all space of the interaction momentum density ϵ
0
E × B. We conclude by analyzing the trajectory of Q near the wires, establishing a visual connection between particle motion and the magnetic vector potentials sourced by the wires, including a discussion of relativistic implications.
Theory and experiment for a solenoid based currents and the magnetic drag
Authors: Jang Taehun , Ha Hye Jin , Go JaeHo , Sohn Sang Ho 
Published: June 2023

Abstract
In this study, we derived formulas for the current waveforms induced by a magnet oscillating at arbitrary positions on the axis of a solenoid. We also conducted an experiment for measuring the currents induced in a solenoid by a magnet oscillating in its inner or outer region and compared the results with theoretical predictions. It was confirmed that the magnitude and shape of waveforms of induced currents that were obtained from the derived formulas fit well with experimental results. In addition, the magnetic drag force exerted on the magnet by the induced current is formulated and compared with the prediction estimated by the attenuation coefficient and velocity.