bluuebunny/crossref_metadata_2025_split huggingface dataset:
Medical claims paid by workers' compensation insurance among US Medicare beneficiaries, 1999–2016
Authors: Kurth Laura , Casey Megan , Chin Brian , Mazurek Jacek M. , Schleiff Patricia , Halldin Cara , Blackley David J. 
Published: January 2021

AbstractBackgroundWorkers' compensation claims among Medicare beneficiaries have not been described previously. To examine the healthcare burden of work‐related injury and illness among Medicare beneficiaries, we assessed the characteristics, healthcare utilization, and financial costs among Medicare beneficiaries with claims for which workers' compensation was the primary payer.MethodsWe extracted final action fee‐for‐service Medicare claims from 1999 to 2016 where workers' compensation had primary responsibility for claim payment and beneficiary, claim type, diagnoses, and cost information from these claims.ResultsDuring 1999–2016, workers' compensation was the primary payer for 2,010,200 claims among 330,491 Medicare beneficiaries, and 58.7% of these beneficiaries had more than one claim. Carrier claims submitted by noninstitutional providers constituted the majority (94.5%) of claims. Diagnosis codes indicated 19.4% of claims were related to diseases of the musculoskeletal system and connective tissue and 12.9% were related to disease of the circulatory system. Workers' compensation insurance paid $880.4 million for these claims while Medicare paid $269.7 million and beneficiaries paid $37.4 million.ConclusionsWorkers' compensation paid 74% of the total amount to providers for these work‐related medical claims among Medicare beneficiaries. Claim diagnoses were similar to those of all workers' compensation claims in the United States. Describing these work‐related claims helps identify the healthcare burden due to occupational injury and illness among Medicare beneficiaries resulting from employment and identifies a need for more comprehensive collection and surveillance of work‐related medical claims.
Expansion of NEUROD2 phenotypes to include developmental delay without seizures
Authors: Mis Emily K. , Sega Annalisa G. , Signer Rebecca H. , Cartwright Tracy , Ji Weizhen , Martinez‐Agosto Julian A. , Nelson Stanley F. , Palmer Christina G. S. , Lee Hane , Mitzelfelt Thomas , Konstantino Monica ,   Undiagnosed Diseases Network, Jeffries Lauren , Khokha Mustafa K. , Marco Elysa , Martin Martin G. , Lakhani Saquib A. 
Published: January 2021

AbstractDe novo heterozygous variants in the brain‐specific transcription factor Neuronal Differentiation Factor 2 (NEUROD2) have been recently associated with early‐onset epileptic encephalopathy and developmental delay. Here, we report an adolescent with developmental delay without seizures who was found to have a novel de novo heterozygous NEUROD2 missense variant, p.(Leu163Pro). Functional testing using an in vivo assay of neuronal differentiation in Xenopus laevis tadpoles demonstrated that the patient variant of NEUROD2 displays minimal protein activity, strongly suggesting a loss of function effect. In contrast, a second rare NEUROD2 variant, p.(Ala235Thr), identified in an adolescent with developmental delay but lacking parental studies for inheritance, showed normal in vivo NEUROD2 activity. We thus provide clinical, genetic, and functional evidence that NEUROD2 variants can lead to developmental delay without accompanying early‐onset seizures, and demonstrate how functional testing can complement genetic data when determining variant pathogenicity.
Phenotypic spectrum associated with pathogenic mutation in the NRG1 gene in Acadian family
Authors: Bourcier Liane , Crapoulet Nicolas , Ouellette Rodney J. , Mallet Mathieu , Ben Amor Mouna 
Published: January 2021

AbstractNRG1 is a gene that encodes for a protein that binds to a receptor of the tyrosine kinase family which is essential for the survival of the central nervous system development during embryogenesis. Mutation of the NRG1 gene causes aganglionosis, which leads to Hirschsprung disease. Two brothers of Acadian descent presented with a history of Hirschsprung disease, in association with other anomalies including congenital heart disease, learning difficulties, developmental issues, and hypopigmented hair patch. Molecular analysis in both siblings revealed a heterozygous pathogenic mutation in the NGR1 gene (c.235C>T [p.Arg79*]), that was inherited from an unaffected father. This family expands our knowledge about the phenotypic spectrum associated with pathogenic mutation in the NRG1 gene with intrafamilial variability and the likely reduced penetrance for the phenotypic expression.
Synthesis of Fully Substituted Oxazoles via an NFSI/KF‐Mediated Double Bond Cleavage‐Rearrangement Cascade
Authors: Wu Dan , Lu Yi , Hao Wen‐Juan , Tu Shu‐Jiang , Jiang Bo 
Published: January 2021

AbstractAn NFSI/KF‐mediated scission/recombination of C−C double bonds for [4+1] annulation is reported, leading to the efficient synthesis of a wide range of fully substituted oxazoles in good to excellent yields under mild redox‐neutral conditions. This methodology might open a new entry for the preparation of structurally applicable heterocyclic systems in a highly functional‐group‐compatible manner.
Recent Developments in Dehydrogenative Organic Transformations Catalyzed by Homogeneous Phosphine‐Free Earth‐Abundant Metal Complexes
Authors: Takallou Ahmad , Mesgarsaravi Niloofar , Beigbaghlou Somayyeh Sarvi , Sakhaee Nader , Halimehjani Azim Ziyaei 
Published: January 2021

AbstractStoichiometric amounts of various oxidants have long been employed for the oxidation of organic compounds. The major drawback of this method is the amount of toxic waste produced, which is in sharp contrast to principles of green chemistry. In catalytic dehydrogenation pathways, hydrogen carrier organic compounds (HCOCs) containing O−H, C−H, and N−H bonds can be transformed to their oxidized forms by removing two hydrogen atoms from the starting materials. Among the homogeneous transition metal‐ligand complexes that have been applied in a catalytic dehydrogenative approach, phosphine ligands have frequently been used. Over the past decades, phosphine‐free ligand systems have since been developed and implemented in various organic reactions to overcome the drawbacks associated with phosphine‐based catalysts. The aim of this review is to summarize the use of non‐phosphinic ligand‐metal complexes in organic transformations proceeding by a dehydrogenative pathway.
Ruthenium‐Catalyzed Synthesis of α‐Alkylated Ketones and Quinolines in an Aqueous Medium via a Hydrogen‐Borrowing Strategy Using Ketones and Alcohols
Authors: Verma Ashutosh , Hazra Susanta , Dolui Pritam , Elias Anil J. 
Published: January 2021

AbstractHerein, we report a simple, efficient, and sustainable method for the synthesis of α‐alkylated ketones and quinolines using a hydrogen‐borrowing strategy, which has emerged as a greener alternative in organic transformation reactions. Synthesis of a range of α‐alkylated ketones and quinoline derivatives was achieved by using the water‐soluble [Ru(8‐AQ)Cl(p‐cym.)]+Cl− [Ru]‐1 (AQ=aminoquinoline) catalyst with water as the reaction medium. By adopting this strategy, we have synthesized α‐alkylated ketones and quinolines using ketones or secondary alcohols as starting materials and the primary alcohol as a green and naturally abundant alkylating agent.
Visible‐light‐mediated Synthesis of Bromo‐containing Azaspirotrienediones from N‐phenylpropynamides
Authors: Chen Yuan , Lu Fo‐Yun , Li Rui‐Xue , Guan Zhi , He Yan‐Hong 
Published: January 2021

AbstractA visible‐light‐mediated reaction of N‐phenylpropynamides with diethyl 2,2‐dibromomalonate for the synthesis of bromo‐substituted azaspirotrienediones has been developed. This method allows the formation of C−Br, C−C and C=O bonds in one pot via a cascade radical addition/ipso‐cyclization/oxidation process. A possible radical mechanism involving single electron transfer and energy transfer processes is proposed based on control experiments, cyclic voltammetry determination and Stern‐Volmer quenching experiments.
Intersectionality and trauma analysis in bioarchaeology
Authors: Mant Madeleine , de la Cova Carlina , Brickley Megan B. 
Published: January 2021

AbstractIntersectionality, the theory named by Kimberlé Crenshaw, outlines how multiple elements of an individual's social identity overlap to create and preserve societal inequalities and discrimination. Recently bioarchaeology's engagement with intersectionality has become increasingly explicit, as the field recognizes the lived experience of multiple axes of an individual's identity. Evidence of trauma can remain observable in an individual's skeleton for years, making it an ideal subject of study for intersectional analyses in bioarchaeology. Using contrasting case studies of two individuals who died in hospitals and were unclaimed after death, we explore the theoretical and methodological application of intersectionality to investigations of accidental and interpersonal trauma. Differences in identities and structural inequalities affect bone quality and health outcomes. As we demonstrate, a broken bone is the intersecting result of biological, histomorphological, sociocultural, and behavioral factors. This approach allows for a better acknowledgement of the inherent complexity of past lives, elevating and amplifying previously silenced voices. In this way, intersectionality in bioarchaeology demands social justice.
Multimodal Biomarkers Quantify Recovery in Autoimmune Autonomic Ganglionopathy
Authors: Koay Shiwen , Vichayanrat Ekawat , Bremner Fion , Panicker Jalesh N. , Lang Bethan , Lunn Michael P. , Watson Laura , Ingle Gordon T. , Hagen Ellen Merete , McNamara Patricia , Jacobson Leslie , Provitera Vincenzo , Nolano Maria , Vincent Angela , Mathias Christopher J. , Iodice Valeria 
Published: January 2021

ObjectiveThe objective of this study was to evaluate patients with ganglionic acetylcholine receptor antibody (gAChR‐Ab) positive autoimmune autonomic ganglionopathy using a multimodal testing protocol to characterize their full clinical phenotype and explore biomarkers to quantify immunotherapy response.MethodsWe conducted a cohort study of 13 individuals (7 women, 21–69 years of age) with autonomic failure and gAChR‐Ab >100 pM identified between 2005 and 2019. From 2018, all patients were longitudinally assessed with cardiovascular, pupillary, urinary, sudomotor, lacrimal and salivary testing, and Composite Autonomic Symptom Score (COMPASS‐31) autonomic symptom questionnaires. The orthostatic intolerance ratio was calculated by dividing change in systolic blood pressure over time tolerated on head‐up tilt. Eleven patients received immunotherapy.ResultsAt first assessment, all 13 patients had cardiovascular and pupillary impairments, 7 of 8 had postganglionic sudomotor dysfunction, 9 of 11 had urinary retention and xeropthalmia, and 6 of 8 had xerostomia. After immunotherapy, there were significant improvements in orthostatic intolerance ratio (33.3 [17.8–61.3] to 5.2 [1.4–8.2], p = 0.007), heart rate response to deep breathing (1.5 [0.0–3.3] to 4.5 [3.0–6.3], p = 0.02), pupillary constriction to light (12.0 [5.5–18.0] to 19.0 [10.6–23.8]%, p = 0.02), saliva production (0.01 [0.01–0.05] to 0.08 [0.02–0.20] g/min, p = 0.03), and COMPASS‐31 scores (52 to 17, p = 0.03). Orthostatic intolerance ratio correlated with autonomic symptoms at baseline (r = 0.841, p = 0.01) and following immunotherapy (r = 0.889, p = 0.02). Immunofluorescence analyses of skin samples from a patient 32 years after disease onset showed loss of nerve fibers supplying the dermal autonomic adnexa and epidermis, with clear improvements following immunotherapy.InterpretationPatients with autoimmune autonomic ganglionopathy demonstrated objective evidence of widespread sympathetic and parasympathetic autonomic failure, with significant improvements after immunotherapy. Quantitative autonomic biomarkers should be used to define initial deficits, guide therapeutic decisions, and document treatment response. ANN NEUROL 2021;89:753–768
Reproduzierbarkeit in der elektroorganischen Synthese – Mythen und Missverständnisse
Authors: Beil Sebastian B. , Pollok Dennis , Waldvogel Siegfried R. 
Published: January 2021

AbstractDie Verwendung von elektrischem Strom als spurenlosem Aktivator und Reagenz erlebt eine Renaissance in der organischen Synthesechemie. Diese nachhaltige Synthesemethode entwickelt sich zu einem hochaktuellen Thema in der modernen organischen Chemie. Forscher aus verschiedenen wissenschaftlichen Bereichen steigen in dieses interdisziplinäre Feld ein, was zu unterschiedlichen Parametern und Methoden der Experimentbeschreibungen führt. Die Variation in den berichteten Parametern kann zu Problemen bei der Reproduzierbarkeit elektroorganischer Synthesen führen. So sind z. B. Parameter wie die Stromdichte oder der Elektrodenabstand in manchen Fällen bedeutender als oft vermutet. Dieser Kurzaufsatz bietet Richtlinien für die Beschreibung elektrosynthetischer Daten an und räumt mit Mythen über diese Technik auf, wodurch die experimentellen Parameter vereinheitlicht werden sollen, um die Reproduzierbarkeit zu erleichtern.
1,2‐Aryl Migration Induced by Amide C−N Bond‐Formation: Reaction of Alkyl Aryl Ketones with Primary Amines Towards α,α‐Diaryl β,γ‐Unsaturated γ‐Lactams
Authors: Hu Rong , Tao Yigao , Zhang Xiaofeng , Su Weiping 
Published: January 2021

AbstractRearrangement reactions incorporated into cascade reactions play an important role in rapidly increasing molecular complexity from readily available starting materials. Reported here is a Cu‐catalyzed cascade reaction of α‐(hetero)aryl‐substituted alkyl (hetero)aryl ketones with primary amines that incorporates an unusual 1,2‐aryl migration induced by amide C−N bond formation to produce a class of structurally novel α,α‐diaryl β,γ‐unsaturated γ‐lactams in generally good‐to‐excellent yields. This cascade reaction has a broad substrate scope with respect to primary amines, allows a wide spectrum of (hetero)aryl groups to smoothly undergo 1,2‐migration, and tolerates electronically diverse α‐substituents on the (hetero)aryl ring of the ketones. Mechanistically, this 1,2‐aryl migration may stem from the intramolecular amide C−N bond formation which induces nucleophilic migration of the aryl group from the acyl carbon center to the electrophilic carbon center that is conjugated with the resulting iminium moiety.
A Chiral Pentafluorinated Isopropyl Group via Iodine(I)/(III) Catalysis
Authors: Meyer Stephanie , Häfliger Joel , Schäfer Michael , Molloy John J. , Daniliuc Constantin G. , Gilmour Ryan 
Published: January 2021

AbstractAn I(I)/(III) catalysis strategy to construct an enantioenriched fluorinated isostere of the iPr group is reported. The difluorination of readily accessible α‐CF3‐styrenes is enabled by the in situ generation of a chiral ArIF2 species to forge a stereocentre with the substituents F, CH2F and CF3 (up to 95 %, >20:1 vicinal:geminal difluorination). The replacement of the metabolically labile benzylic proton results in a highly preorganised scaffold as was determined by X‐ray crystallography (π→σ* and stereoelectronic gauche σ→σ* interactions). A process of catalyst editing is disclosed in which preliminary validation of enantioselectivity is placed on a structural foundation.
Na3SO4H—The First Representative of the Material Class of Sulfate Hydrides
Authors: Mutschke Alexander , Bernard Guy M. , Bertmer Marko , Karttunen Antti J. , Ritter Clemens , Michaelis Vladimir K. , Kunkel Nathalie 
Published: January 2021

AbstractThe first representative of a novel class of mixed‐anionic compounds, the sulfate hydride Na3SO4H, and the corresponding deuteride Na3SO4D were obtained from the solid‐state reaction of NaH or NaD with dry Na2SO4. Precise reaction control is required, because too harsh conditions lead to the reduction of sulfate to sulfide. A combined X‐ray and neutron diffraction study revealed that the compound crystallizes in the tetragonal space group P4/nmm with the lattice parameters a=7.0034(2) Å and c=4.8569(2) Å. The sole presence of hydride and absence of hydroxide ions is proven by vibrational spectroscopy and comparison with spectra predicted from quantum chemical calculations. 1H and 23Na MAS NMR spectra are consistent with the structure of Na3SO4H: a single 1H peak at 2.9 ppm is observed, while two peaks at 15.0 and 6.2 ppm for the inequivalent 23Na sites are observed. Elemental analysis and quantum chemical calculations further support these results.
Conformational Plasticity of Cyclic Ras‐Inhibitor Peptides Defines Cell Permeabilization Activity
Authors: Takeuchi Koh , Misaki Imai , Tokunaga Yuji , Fujisaki Miwa , Kamoshida Hajime , Takizawa Takeshi , Hanzawa Hiroyuki , Shimada Ichio 
Published: January 2021

AbstractCyclorasins 9A5 and 9A54 are 11‐mer cyclic peptides that inhibit the Ras‐Raf protein interaction. The peptides share a cell‐penetrating peptide (CPP)‐like motif; however, only cyclorasin 9A5 can permeabilize cells to exhibit strong cell‐based activity. To unveil the structural origin underlying their distinct cellular permeabilization activities, we compared the three‐dimensional structures of cyclorasins 9A5 and 9A54 in water and in the less polar solvent dimethyl sulfoxide (DMSO) by solution NMR. We found that cyclorasin 9A5 changes its extended conformation in water to a compact amphipathic structure with converged aromatic residues surrounded by Arg residues in DMSO, which might contribute to its cell permeabilization activity. However, cyclorasin 9A54 cannot adopt this amphipathic structure, due to the steric hindrance between two neighboring bulky amino‐acid sidechains, Tle‐2 and dVal‐3. We also found that the bulkiness of the sidechains at positions 2 and 3 negatively affects the cell permeabilization activities, indicating that the conformational plasticity that allows the peptides to form the amphipathic structure is important for their cell permeabilization activities.
Non‐Metal Ion Co‐Insertion Chemistry in Aqueous Zn/MnO2 Batteries
Authors: Wang Shuai , Yuan Zishun , Zhang Xu , Bi Songshan , Zhou Zhen , Tian Jinlei , Zhang Qichun , Niu Zhiqiang 
Published: January 2021

AbstractThe co‐insertion of dual ions can often offer enhanced electrochemical performance for the aqueous zinc batteries. Although the insertion of non‐metallic ions has been achieved in aqueous zinc batteries, the co‐insertion chemistry of non‐metallic cations is still a challenge. Here, a reversible H+/NH4+ co‐insertion/extraction mechanism was developed in an aqueous Zn/MnO2 battery system. The synergistic effect between the dual cations endows the aqueous batteries with the fast kinetics of ion diffusion and the reversible structure evolution of MnO2. As a result, the Zn/MnO2 battery displays excellent rate capability and cycling performance. This work will pave the way toward the design of aqueous rechargeable batteries with non‐metallic ions.
The Crucial Role of Local Excess Charges in Dendrite Growth on Lithium Electrodes
Authors: Santos Elizabeth , Schmickler Wolfgang 
Published: January 2021

AbstractMuch theoretical effort has been spent on the causes of dendrite formation in lithium metal batteries, but a decisive factor has been overlooked: Lithium is deposited on an electrode which carries a sizable negative charge, and this charge is not distributed homogeneously on the surface. We show by explicit model calculations that the excess charge accumulates on small protrusions and creates a strong electric field, which attracts the Li+ ions and induces further growth on the tip and finally the formation of dendrites. Even a small tip consisting of a few atoms will carry an excess charge of a tenth of a unit charge or more. In addition, the negative charge on the tips locally reduces the surface tension, which further fosters dendrite growth. The same principles can also explain dendrite formation on other metals with deposition potentials below the potential of zero charge.
Bio‐based sustainable films from the Algerian Opuntia ficus‐indica cladodes powder: Effect of plasticizer content
Authors: Makhloufi Nawal , Chougui Nadia , Rezgui Farouk , Benramdane Elias , Freire Carmen S. R. , Vilela Carla , Silvestre Armando J. D. 
Published: January 2021

AbstractThe present study investigated the fabrication and characterization of bio‐based sustainable films composed of a terrestrial plant raw material, namely Opuntia ficus‐indica (OFI) cladodes powder (CP) and a marine seaweed derivative, namely agar (A). The effect of glycerol concentration on the properties of the casted films was evaluated at four different contents, namely 30, 40, 50 and 60 wt%. The films present UV‐blocking properties, as well as moderate mechanical performance, thermal stability, and water vapor transmission rate (WVTR). The results point to an increase in thickness, elongation at break, moisture content, water solubility, and WVTR with increasing glycerol content. On the contrary, Young's modulus, tensile strength, and water contact angle decreased as glycerol concentration increased. The best combination is obtained for the film with 30% glycerol, based on an intermediate compromise between physical, mechanical, thermal, and barrier properties. All these outcomes express the potentiality of the powder obtained from grinding the OFI cladodes as raw material to produce low‐cost films for the development of sustainable packaging materials.
Super toughened and highly ductile PLA/TPU blend systems by in situ reactive interfacial compatibilization using multifunctional epoxy‐based chain extender
Authors: Kahraman Yusuf , Özdemir Burcu , Kılıç Volkan , Goksu Yonca Alkan , Nofar Mohammadreza 
Published: January 2021

AbstractThis study investigates the influence of using multifunctional epoxy Joncryl ADR 4468 chain extender (CE) on the properties of various polylactide (PLA)/thermoplastic polyurethane (TPU) (75 wt/25 wt) blend systems. The blends were based on two different TPU grades with ether‐ and ester‐based soft segment as the dispersed phase (i.e., TPUether and TPUester) and an amorphous and a semicrystalline PLA grades as the matrix (i.e., aPLA and scPLA). PLA appeared to be more compatible with the TPUester, which caused the enhancement of the impact strength and strain at break values of the blends more remarkably. The dynamic rheological experiments also confirmed that the CE revealed a better reactivity with TPUester than TPUether. This further enhanced the interfacial compatibility between the PLA and TPUester and thereby dramatically improved the impact strength and ductility of the PLA/TPUester blends, specifically those with 0.5 wt% CE. Meanwhile, aPLA as the matrix reflected the TPUs toughening effect more efficiently than scPLA. This was due to the possible shrinkage caused by the crystallization of scPLA matrix, which could deteriorate the interfacial interactions between the phases in the corresponding blends.