bluuebunny/crossref_metadata_2025_split huggingface dataset:
Relationship between degree of separation of endplate cartilage and severity of intervertebral disc herniation
Authors: Yang Jae Hyuk , Kim Hong Jin , Chang Dong‐Gune , Suh Seung Woo , Nam Yunjin , Song Hyun‐Sub 
Published: December 2021

AbstractDegeneration of intervertebral disc and fissures in the anulus was caused by compression and distraction, which lead to nucleus pulposus herniation. However, controversy remains regarding the exact mechanism behind disc herniation. The aim of this study is to analyze histologically the differences between the three types of disc herniations in an attempt to infer the underlying mechanism. Disc samples extracted from 49 patients who underwent discectomy of the lumbar region were studied by histological analysis. The severity of disc herniation was classified as bulging, protrusion, extrusion, or sequestration based on preoperative magnetic resonance imaging measurements. For comparative analysis of sequestration characteristics, 49 patients were classified into either the sequestration or the non‐sequestration group (i.e., protrusion and extrusion) according to disc herniation type. Forty of the 49 patients had cartilage present in their disc samples upon histological analysis. The endplate cartilage‐containing samples included two of four (50%) protruded disc patients, 22 of 29 (75.9%) extruded disc patients, and 16 of 16 (100%) sequestrated disc patients and had statistical significance (p = 0.019). There were no significant differences in age, sex, body mass index, length of hospital stays, injection history, surgical methods, and Visual Analog Scale between the sequestration and non‐sequestration group (all p > 0.05). Separation of endplate cartilage increased with the severity of disc herniation. Therefore, the mechanism of disc herniation should consider the connection with endplate cartilage as an initiating link in the mechanical failure of intervertebral discs.
Examining the association between oncology drug clinical benefit and the time to public reimbursement
Authors: Thomson Sasha , Everest Louis , Witzke Noah , Jiao Tina , Delos Santos Seanthel , Nguyen Vivian , Cheung Matthew C. , Chan Kelvin K. W. 
Published: December 2021

AbstractBackgroundWe examined if oncology drug indications with high clinical benefit, as measured by the American Society of Clinical Oncology Value Framework (ASCO‐VF) and European Society for Medical Oncology Magnitude of Clinical Benefit Scale (ESMO‐MCBS), received public reimbursement status faster than those with lower clinical benefit from the time of pan‐Canadian Oncology Drug Review (pCODR) recommendation.MethodsOncology drug indications submitted to pCODR between July 2011 and October 2018 were examined. Included indications had a regulatory approval date, completed the pCODR review process, received a positive pCODR recommendation, and been funded by at least one province. Trials cited for clinical efficacy were used to determine the clinical benefit (per ASCO‐VF and ESMO‐MCBS) of drug indications.ResultsEighty‐four indications were identified, yielding 65 ASCO‐VF and 50 ESMO‐MCBS scores. The mean ASCO‐VF and ESMO‐MCBS scores were 44.9 (SD = 21.1) and 3.3 (SD = 1.0), respectively. The mean time to provincial reimbursement from pCODR recommendation was 13.2 months (SD = 9.3 months). Higher ASCO‐VF and ESMO‐MCBS scores had low correlation with shorter time to reimbursement, (ρ = −0.21) and (ρ = 0.24), respectively. In the multivariable analyses, ASCO‐VF (p = 0.40) and ESMO‐MCBS (p = 0.31) scores were not significantly associated with time to reimbursement. Province and year of pCODR recommendation were associated with time to reimbursement in both ASCO and ESMO models.ConclusionsOncology drug indications with higher clinical benefit do not appear to be reimbursed faster than those with low clinical benefit. This suggests the need to prioritize oncology drug indications based on clinical benefit to ensure quicker access to oncology drugs with the greatest benefits.
Aspartate aminotransferase/alanine aminotransferase ratio and subsequent cancer development
Authors: Kobayashi Daiki , Yamamoto Kazuki , Kimura Takeshi , Shimbo Takuro 
Published: December 2021

AbstractBackgroundWe aimed to evaluate the association between the aspartate aminotransferase (AST)/alanine aminotransferase (ALT) ratio and subsequent development of any type of cancer in an apparently healthy population.MethodsWe conducted a retrospective cohort study at St. Luke's International Hospital, Tokyo, Japan between 2005 and 2018. All participants who visited for voluntary health checkups were included. We divided the participants into different quintiles based on the baseline AST/ALT ratios and examined the outcomes.ResultsA total of 85,658 participants were included. The mean age was 44.7 years (standard deviation 12.0) at baseline, and 42,913 (50.1%) of them were men. During a median follow‐up of 61.6 months, 4701 (5.5%) participants developed some type of cancer. Compared with the middle AST/ALT ratio group, no other groups had similar adjusted hazard ratios (HR) for the development of any type of cancer in both men and women. When stratified by alcohol consumption, very high (adjusted HR 1.36; 95% CI 1.13–1.63) and high (adjusted HR 1.26; 95% CI 1.05–1.50) AST/ALT ratio groups among men who were regular drinkers had increased adjusted HRs for any type of cancer development, but the very high AST/ALT ratio group among men who were abstainers (adjusted HR 0.64; 95% CI 0.42–0.97) and very low AST/ALT ratio group among men who were occasional drinkers (adjusted HR 0.69; 95% CI 0.48–0.98) had lower adjusted HRs compared with the middle AST/ALT ratio group. Among women, regardless of alcohol consumption, adjusted HR for any type of cancer development was similar across all AST/ALT ratio groups.ConclusionPeople with higher AST/ALT ratios tended to have a higher risk of developing any type of cancer among men who were regular drinkers, but this risk was lower among men who were abstainers. Among women, regardless of alcohol consumption, there was no association between the development of any type of cancer and AST/ALT ratio.
Novel Quinic Acid Glycerates from Tussilago farfara Inhibit Polypeptide GalNAc‐Transferase
Authors: Feng Juan , Li Yu‐Peng , Hu Youtian , Zhou Yueyang , Zhang Hua , Wu Fang 
Published: December 2021

AbstractThe discovery of a bioactive inhibitor tool for human polypeptide N‐acetylgalactosaminyl transferases (GalNAc‐Ts), the initiating enzyme for mucin‐type O‐glycosylation, remains challenging. In the present study, we identified an array of quinic acid derivatives, including four new glycerates (1–4) from Tussilago farfara, a traditional Chinese medicinal plant, as active inhibitors of GalNAc‐T2 using a combined screening approach with a cell‐based T2‐specific sensor and purified enzyme assay. These inhibitors dose‐dependently inhibited human GalNAc‐T2 but did not affect O‐linked N‐acetylglucosamine transferase (OGT), the other type of glycosyltransferase. Importantly, they are not cytotoxic and retain inhibitory activity in cells lacking elongated O‐glycans, which are eliminated by the CRISPR/Cas9 gene editing tool. A structure‐activity relationship study unveiled a novel quinic acid‐caffeic acid conjugate pharmacophore that directs inhibition. Overall, these new natural product inhibitors could serve as a basis for developing an inhibitor tool for GalNAc‐T2.
Sulfation Pattern Dependent Iron(III) Mediated Interleukin‐8 Glycan Binding
Authors: Brunori Francesco , Padhi Deepak Kumar , Alshanski Israel , Freyse Joanna , Dürig Jan‐Niklas , Penk Anja , Vaccaro Luigi , Hurevich Mattan , Rademann Jörg , Yitzchaik Shlomo 
Published: December 2021

AbstractCytokines such as interleukin‐8 activate the immune system during infection and interact with sulfated glycosaminoglycans with specific sulfation patterns. In some cases, these interactions are mediated by metal ion binding which can be used to tune surface‐based glycan‐protein interactions. We evaluated the effect of both hyaluronan sulfation degree and Fe3+ on interleukin‐8 binding by electrochemical impedance spectroscopy and surface characterizations. Our results show that sulfation degree and metal ion interactions have a synergistic effect in tuning the electrochemical response of the glycated surfaces to the cytokine.
Everything is outpatient these days: The new economics of sophisticated cardiovascular care
Authors: Patel Nachiket J. , Heuser Richard R. 
Published: December 2021

Key Points
Same‐day discharge (SDD) after percutaneous coronary intervention (PCI) is associated with reduced cost and increased patient satisfaction.
This study demonstrates the safety of SDD after uncomplicated chronic total occlusion PCI via the forearm approach.
Assessing the Importance of Cation Size in the Tetragonal‐Cubic Phase Transition in Lithium‐Garnet Electrolytes**
Authors: Stockham Mark P. , Griffiths Alice , Dong Bo , Slater Peter R. 
Published: December 2021

AbstractLithium garnets are promising solid‐state electrolytes for next‐generation lithium‐ion batteries. These materials have high ionic conductivity, a wide electrochemical window and stability with Li metal. However, lithium garnets have a maximum limit of seven lithium atoms per formula unit (e.g., La3Zr2Li7O12), before the system transitions from a cubic to a tetragonal phase with poor ionic mobility. This arises from full occupation of the Li sites. Hence, the most conductive lithium garnets have Li between 6–6.55 Li per formula unit, which maintains the cubic symmetry and the disordered Li sub‐lattice.The tetragonal phase, however, forms the highly conducting cubic phase at higher temperatures, thought to arise from increased cell volume and entropic stabilisation permitting Li disorder. However, little work has been undertaken in understanding the controlling factors of this phase transition, which could enable enhanced dopant strategies to maintain room temperature cubic garnet at higher Li contents.Here, a series of nine tetragonal garnets were synthesised and analysed by variable temperature XRD to understand the dependence of site substitution on the phase transition temperature. Interestingly the octahedral site cation radius was identified as the key parameter for the transition temperature with larger or smaller dopants altering the transition temperature noticeably. A site substitution was, however, found to make little difference irrespective of significant changes to cell volume.
One‐Step Preparation of Fe/N/C Single‐Atom Catalysts Containing Fe−N4 Sites from an Iron Complex Precursor with 5,6,7,8‐Tetraphenyl‐1,12‐Diazatriphenylene Ligands
Authors: Matsumoto Koki , Kato Masaru , Yagi Ichizo , Xie Siqi , Asakura Kiyotaka , Noro Shin‐ichiro , Tohnai Norimitsu , Campidelli Stéphane , Hayashi Takashi , Onoda Akira 
Published: December 2021

AbstractFe/N/C single‐atom catalysts containing Fe−Nx sites prepared by pyrolysis are promising cathode materials for fuel cells and metal‐air batteries due to their high oxygen reduction reaction (ORR) activities. We have developed iron complexes containing N2‐ or N3‐chelating coordination structures with preorganized aromatic rings in a 1,12‐diazatriphenylene framework tethering bromo substituents as precursors to precisely construct Fe−N4 sites in an Fe/N/C catalyst. One‐step pyrolysis of the iron complex with carbon black forms atomically dispersed Fe−N4 sites without iron aggregates. X‐ray absorption spectroscopy (XAS) and electrochemical measurements revealed that the iron complex with N3‐coordination is more effectively converted to Fe−N4 sites catalyzing ORR with a TOF value of 0.21 e site−1 s−1 at 0.8 V vs. RHE. This indicates that the formation of Fe−N4 sites is controlled by precise tuning of the chemical structure of the iron complex precursor.
The selection of burglary cases based on multidimensional features and PageRank
Authors: Zhong Han , Li Zheng , Chen Peng , Lu Hao , Xu Yijia 
Published: December 2021

AbstractWith the rapid development of urbanization, a series of burglary cases occurred frequently. It is very important to push suspicious cases according to the top rank in order to improve the ability of intelligent concatenation cases. This article proposes a method of selecting burglary cases based on multidimensional features and PageRank, which could analyze the fact description of burglary cases, extract the multidimensional features of cases and perform feature representation to obtain the feature vector of each case. Then it constructed the network through the similarity between the multidimensional features and used PageRank to calculate the importance of each case for ranking. At last, the algorithm is verified based on the real data of burglary cases. The experimental results showed that the robustness test is better than the other two methods. And the proposed method is more effective and can be better applied to the sorting of burglary cases.
Biomolecular Binding under Confinement: Statistical Predictions of Steric Influence in Absence of Long‐Distance Interactions
Authors: Longatte Guillaume , Lisi Fabio , Bakthavathsalam Padmavathy , Böcking Till , Gaus Katharina , Tilley Richard D. , Gooding J. Justin 
Published: December 2021

AbstractWe propose a theoretical model for the influence of confinement on biomolecular binding at the single‐molecule scale at equilibrium, based on the change of the number of microstates (localization and orientation) upon reaction. Three cases are discussed: DNA sequences shorter and longer than the single strain DNA Kuhn length and spherical proteins, confined into a spherical container (liposome, droplet, etc.). The influence of confinement is found to be highly dependent on the molecular structure and significant for large molecules (relative to container size).
Century‐long stomatal density record of the nitrophyte, Rubus spectabilis L., from the Pacific Northwest indicates no effect of changing atmospheric carbon dioxide but a strong response to nutrient subsidy
Authors: Ydenberg Ron , Leyland Ben , Hipfner Mark , Prins Herbert H. T. 
Published: December 2021

AbstractTriangle Island on Canada's Pacific coast is home to a large, globally important seabird breeding colony. The shrub Salmonberry Rubus spectabilis and tussock‐forming Tufted Hairgrass Deschampsia cespitosa together form ~70% of vegetation coverage and contain the vast majority (~90%) of seabird nesting burrows. Salmonberry has in recent decades greatly expanded its coverage, while that of Tufted Hairgrass has receded. Seabirds prefer not to burrow under Salmonberry, making its ongoing expansion a potential conservation issue. We investigated three hypotheses proposed to explain Salmonberry's expansion (climate change, biopedturbation, and nutrient input), using comparisons of stomatal density of Salmonberry leaves sampled from Triangle Island, other seabird colonies, other coastal locations, and from historical specimens in herbaria. Stomatal density helps regulate photosynthetic gain and control water loss, and responds to light, nutrient, carbon dioxide, and water availability. Differing patterns of stomatal density are expected among sample locations depending on which of the hypothesized factors most strongly affects Salmonberry's performance. Our data are most consistent with the nutrient input hypothesis. We discuss possible reasons why Salmonberry has expanded so recently, even though Triangle has been a large seabird colony for at least a century and likely much longer.
Binuclear Alkyne Manganese Carbonyls: Their Rearrangements to Allene, Allyl, and Vinylcarbene Derivatives by Hydrogen Migration from Methyl Substituents
Authors: Hu Yucheng , Wang Huijie , Ji Yupin , Li Huidong , Fan Qunchao , King R. Bruce , Schaefer Henry F. 
Published: December 2021

AbstractBinuclear alkyne manganese carbonyls of the type (RC≡CR')Mn2(CO)n (R and R'=methyl or dimethylamino; n=8, 7, 6) and their isomers related to the experimentally known (MeC2NEt2)Mn2(CO)n (n=8, 7) structures have been investigated by density functional theory. The alkyne ligand remains intact in the only low energy (Me2N)2C2Mn2(CO)8 isomer, which has a central Mn2C2 tetrahedrane unit and is otherwise analogous to the well‐known (alkyne)Co2(CO)6 derivatives except for one more CO group per metal atom. The low‐energy structures of the unsaturated (Me2N)2C2Mn2(CO)n (n=7, 6) systems include isomers in which the nitrogen atom of one of the dimethylamino groups as well as the C≡C triple bond of the alkyne is coordinated to the central Mn2 unit. In other low‐energy (Me2N)2C2Mn2(CO)n (n=7, 6) isomers the alkyne C≡C triple bond has broken completely to form two separate bridging dimethylaminocarbyne Me2NC ligands analogous to the experimentally known iron carbonyl complex (Et2NC)2Fe2(CO)6. The (alkyne)Mn2(CO)n (n=8, 7, 6) systems of the alkynes MeC≡CMe and Me2NC≡CMe with methyl substituents have significantly more complicated potential surfaces. In these systems the lowest energy isomers have bridging ligands derived from the alkyne in which one or two hydrogen atoms have migrated from a methyl group to one or both of the alkyne carbon atoms. These bridging ligands include allene, manganallyl, and vinylcarbene ligands, the first two of which have been realized experimentally in research by Adams and coworkers. Theoretical studies suggest that the mechanism for the conversion of the simple alkyne octacarbonyl (MeC2NMe2)Mn2(CO)8 to the dimethylaminomanganaallyl complex Mn2(CO)7[μ‐η4‐C3H3Me2] involves decarbonylation to the heptacarbonyl and the hexacarbonyl complexes. Subsequent hydrogen migrations then occur through intermediates with C−H−Mn agostic interactions to give the final product. Eight transition states for this mechanistic sequence have been identified with activation energies of ∼20 kcal/mol for the first hydrogen migration and ∼14 kcal/mol for the second hydrogen migration.
A New Member of the Growing Family of Interconvertible {RuNO}6,7,8 Species. Redox and Acid‐Base Characterization of [Ru((CH2py)2Me[9]aneN3)(NO)]n+
Authors: Perdoménico Julián , Levin Natalia , Fierro Anabella C. , Cordero Chernek Oswaldo A. , Weyhermüller Thomas , Slep Leonardo D. 
Published: December 2021

AbstractThe preparation and characterization of a new ruthenium nitrosyl based on the pentadentate ligand (CH2py)2Me[9]aneN3 (1‐methyl‐4,7‐bis(pyridin‐2‐ylmethyl)‐1,4,7‐triazacyclononane) is reported. The octahedral species contains a {RuNO}6 fragment and can be isolated in the solid state as a PF6− salt. In acetonitrile, this platform allows exploring the reduction processes in 1‐electron steps from {RuNO}6 to {RuNO}8, with associated E° values of 0.421 V and −0.628 V (vs. Ag/AgCl, 3 M NaCl), respectively. The {RuNO}7 species is paramagnetic, its EPR spectrum in vitrified acetonitrile at 90 K is consistent with an S=
center with g=(2.0095, 1.9992, 1.8785) coupled to a 14N nucleus, with A=(6.9, 30.24, 1.85)×10−4 cm−1. In acidified aqueous solution, the first reduction process at 0.101 V leads to the formation of {RuNO}7, as in aprotic medium (acetonitrile). However, the incorporation of a second electron is coupled to a protonation process of the nitroxyl group, generating a coordinated azanone (HNO) compound with pKa(HNO)=11.0. Spectroscopic information obtained via spectroelectrochemistry and electronic structure calculations assist in the rationalization of results. Overall, this new compound enhances the library of nitrosylated Ru species with combined redox, acid‐base, and spectroscopic characterization in water and confirms experimental correlations found in related species.
Nanoarchitectured transition metal oxides and their composites for supercapacitors
Authors: Kumar Ankit , Rathore Hem Kanwar , Sarkar Debasish , Shukla Ashok 
Published: December 2021

AbstractSupercapacitors have acquired a considerable scientific and technological position in the energy storage field owing to their compelling power capability, good energy density, excellent cycling stability, and ideal safety. The supercapacitor is the burgeoning candidate to cope with the ever‐growing need for green and renewable energy. High‐performance supercapacitors are realized by nanostructured electrode designs, which provide ameliorated surface area for abundant electrode‐electrolyte interaction, ease of electron transfer and movement, and short ion‐diffusion pathways that lead to increased performance. In this regard, transition metal oxide (TMO)‐based electroactive materials are of significant interest owing to the remarkable combination of structural, mechanical, electrical, and electrochemical properties. Besides their high specific capacitance and energy density due to rich redox chemistry, highly reversible and fast charge‐discharge processes, low cost due to abundance, and environment‐friendliness make them the most promising materials for next‐generation supercapacitors. But poor electrical conductivity and rate capability, inferior cycling life, and low power density are some of the major challenges that need to be addressed. Therefore, various nanostructures of pristine TMOs and their composites with other materials with complementary characteristics have been fabricated and investigated to realize supercapacitors with improved performance. This review summarizes all such reported pristine TMOs with different nanostructured dimensions namely, 3D, 2D, 1D, and 0D, and their composite structures for their application as electrode materials in supercapacitors. Design of different pristine and composite nanostructures, synthesis strategies, comprehensive structure‐dependent electrochemical properties, present challenges, and future perspectives are reviewed.
Application of artificial bee colony algorithm and back propagation neural network in color evaluation of human–machine interaction interfaces
Authors: Deng Li , Deng Fuduo , Wang Guohua 
Published: December 2021

AbstractPeople prefer an attractive human–machine interaction interface, and color is an important factor affecting attractiveness. Therefore, to evaluate the color of human–machine interaction interfaces, a back propagation neural network (BPNN) optimized by the artificial bee colony (ABC) algorithm was proposed to predict and evaluate the interface color. The process of determining the weights and thresholds of each layer of BPNN was transformed into the process of searching for the best honey source. Based on a comprehensive analysis of visual aesthetics and usability, the five color evaluation characteristics of human–machine interaction interfaces (color type, color harmony, color area, color distribution, and color difference) were extracted and expressed mathematically. The color evaluation model of the human–machine interaction interface was constructed by considering the color evaluation characteristic values as the input of BPNN and the mean values of aesthetic degree and usability by subjective evaluation as the output. The color evaluation data of websites and iPhone apps were used to train and validate the model. In Study 1, the mean squared error (MSE) and R‐Square of ABC‐BPNN were 0.0399 and 0.9400, respectively. In Study 2, the MSE and R‐Square of ABC‐BPNN were 0.0285 and 0.9195, respectively. The results showed that the prediction effect of the ABC‐BPNN model was more accurate than that of the standard BPNN and Elman‐NN models. Finally, the proposed method was applied to the interface color design of an app to improve young people's sleep, producing a color scheme that fulfilled the user's psychological expectations, which accelerated the design process.