bluuebunny/crossref_metadata_2025 huggingface dataset:
Adsorption, thermodynamic, and quantum chemical investigations of an ionic liquid that inhibits corrosion of carbon steel in chloride solutions
Authors: Abbas Mohamed A. , Ismail Amr S. , Zakaria K. , El-Shamy A. M. , El Abedin S. Zein
Published: July 2022

The purpose of this work lies in the use of ionic liquids as corrosion inhibitors due to the difficulty in some oil fields with the solubility of corrosion inhibitors and these materials can be miscible with water and thus provide a solution to such problems in the industry. The second purpose is concerned with the lower toxicity of these compounds compared with the most common corrosion inhibitors. The study covered the corrosion inhibition performance of the ionic liquid 1-butyl-3-methylimidazolium trifluoromethyl sulfonate ([BMIm]TfO) for carbon steel in 3.5% NaCl solutions. The study comprised electrochemical, adsorption, and quantum chemical investigations. The results manifested that [BMIm]TfO can be considered a promising corrosion inhibitor and the inhibition efficacy intensifies as the concentration rises. The observed inhibitive effect can be correlated to the adsorption of the ionic liquid species and the creation of protecting films on the surface. The mode of adsorption follows the Langmuir adsorption isotherm. The polarization results showed that the ionic liquid [BMIm]TfO functions as a mixed inhibitor. Reliance of the corrosion influence on the temperature in the existence and absence of [BMIm]TfO was demonstrated in the temperature range of 303–333 K using polarization data. Activation parameters were determined and discussed. The observed inhibition performance of [BMIm]TfO was correlated with the electronic properties of the ionic liquid using a quantum chemical study.
Role of mineral nutrients, antioxidants, osmotic adjustment and PSII stability in salt tolerance of contrasting wheat genotypes
Authors: Hussain Nadeem , Sohail Younas , Shakeel Nasir , Javed Muhammad , Bano Hussan , Gul Hafiza Saima , Zafar Zafar Ullah , Frahat Zaky Hassan Islam , Ghaffar Abdul , Athar Habib-ur-Rehman , Ajaj Rahaf
Published: July 2022

Global food production is threatened due to increasing salinity and can be stabilized by improving salt tolerance of crops. In the current study, salt tolerance potential of 40 local wheat cultivars against 150 mM NaCl stress was explored. Salt treatment at seedling stage caused less reduction in biomass, K+ and P while more decline of Na+ in tolerant cultivars due to reduced translocation and enhanced exclusion of Na+ from leaves. Principal component analysis based selected S-24, LU-26S, Pasban-90 (salt tolerant) and MH-97, Kohistan-97, Inqilab-91 and Iqbal-2000 (salt sensitive) cultivars were evaluated at adult stage applying 150 mM salinity. Osmotic adjustment by accumulation of soluble sugars and proline and accelerated antioxidant enzymes activities caused efficient scavenging of reactive oxygen species making S-24 and LU-26S tolerant while in MH-97 and Kohistan-97, high MDA represent greater membrane damage due to oxidative stress making them salt sensitive. Chlorophyll a fluorescence transients confirmed better efficiency of photosystem II in S-24 and LU-26S based on energy fluxes (ABS/RC, TRo/RC, ETo/RC and DIo/RC), performance index (PIABS) and maximum quantum yield (Fv/Fm). These findings can be correlated using molecular techniques to identify genes for salt exclusion, osmotic adjustment and photosynthetic activity for use in molecular breeding programs.
An electron counting formula to explain and to predict hydrogenated and metallated borophenes
Authors: Chaliha Rinkumoni , Sravanakumar Perumalla D. , Jemmis Eluvathingal D.
Published: July 2022

An electron counting rule for borophenes based on graphene and MgB2helps to design metallated borophenes and borophanes, and suggests strategies to release 2D-borophenes from metal surfaces.
Rapid, energy-efficient and pseudomorphic microwave-induced-metal-plasma (MIMP) synthesis of Mg2Si and Mg2Ge
Authors: Fan Zhen , Ho Hsi-Nien , Szczęsny Robert , Liu Wei-Ren , Gregory Duncan H.
Published: July 2022

The energy-efficient microwave-induced-metal-plasma (MIMP) approach leads to the sustainable synthesis of Mg2Si and Mg2Ge within 1 min from mixtures of the elemental powders.
Stressing the differences in alizarin and purpurin dyes through UV-visible light absorption and1H-NMR spectroscopies
Authors: Tissier Roger-Charles , Rigaud Baptiste , Thureau Pierre , Huix-Rotllant Miquel , Jaber Maguy , Ferré Nicolas
Published: July 2022

Three anthraquinone-based chromophores (9,10-anthraquinone, alizarin, purpurin) are compared from the point of view of their experimental and computed NMR and UV-visible light absorption spectra.
Mechanistic regulation of γ-secretase by their substrates
Authors: Velasco-Bolom José-Luis , Domínguez Laura
Published: July 2022

γ-Secretase (GS) is a transmembrane (TM) enzyme that plays important roles in the processing of approximately 90 substrates.
A multiscale free energy method reveals an unprecedented photoactivation of a bimetallic Os(ii)–Pt(ii) dual anticancer agent
Authors: Alberto Marta E. , Francés-Monerris Antonio
Published: July 2022

Theoretical evidence on the cooperation of Os and Pt in a bimetallic assembly for dual PDT/PCT anticancer therapy is provided. Biased QM/MM simulations in the excited state characterize in detail the Pt–Cl photorelease that activates the Pt(ii) unit.
Determining the origin of poor electronic conductivity and ultrafast ionic conductivity in Na3V2(PO4)2FO2 based on first principles and ab initio molecular dynamics methods
Authors: Guo Yuhong , Xu Li-Chun , Zhao Wenyang , Guo Chunli , Yang Zhi , Liu Ruiping , Shao Jian-Li , Xue Lin , Li Xiuyan
Published: July 2022

Maintaining layer-like features and regulating V atoms will be important directions to improve the performance of NaxV2(PO4)2FO2.
Analysis of measured high-resolution doublet rovibronic spectra and related line lists of 12CH and 16OH
Authors: Furtenbacher Tibor , Hegedus Samuel T. , Tennyson Jonathan , Császár Attila G.
Published: July 2022

Understanding the energy-levels and rovibronic spectra of the ethylidyne (CH) and the hydroxyl (OH) radicals is mandatory for a multitude of modelling efforts within multiple chemical, combustion, astrophysical, and atmospheric environments.
Adsorption of CO and H2S on pristine and metal (Ni, Pd, Pt, Cu, Ag, and Au)-mediated SnS monolayers: a first-principles study
Authors: Lin Long , Hu Chencheng , Deng Chao , Xu Yonghao , Tao Hualong , Chen Zehua , Zhang Zhanying
Published: July 2022

The electronic properties and sensing behaviors of Ni, Pd, Pt, Cu, Ag, and Au-doped SnS monolayers are systematically investigated. Two adjustment methods are introduced to dynamically adjust the adsorption behavior of gas.
The degree of electron itinerancy and shell closing in the core-ionized state of transition metals probed by Auger-photoelectron coincidence spectroscopy
Authors: Born Artur , Johansson Fredrik O. L. , Leitner Torsten , Bidermane Ieva , Kühn Danilo , Mårtensson Nils , Föhlisch Alexander
Published: July 2022

Auger-photoelectron coincidence spectroscopy affirms and clarifies the LVV spectrum of Cu to be atomic-like, Co itinerant and Ni mixed as predicted in the Cini–Sawatzky model.
Exploiting anion and cation redox chemistry in lithium-rich perovskite oxalate: a novel next-generation Li/Na-ion battery electrode
Authors: Pramanik Atin , Manche Alexis G. , Clulow Rebecca , Lightfoot Philip , Armstrong A. Robert
Published: July 2022

The fundamental understanding of electrochemical reaction kinetics for lithium/sodium-ion batteries (LIBs & NIBs) is a significant criterion for advancing new-generation electrode materials.
How reduced are nucleophilic gold complexes?
Authors: Leach Isaac F. , Sorbelli Diego , Belpassi Leonardo , Belanzoni Paola , Havenith Remco W. A. , Klein Johannes E. M. N.
Published: July 2022

Nucleophilic formal gold(–i) and gold(i) complexes are investigated via Intrinsic Bond Orbital analysis and Energy Decomposition Analysis, based on density functional theory calculations.
Formic acid–hydrogen peroxide treatment of furfural residue for production of nanocellulose, lignin, and nano-scale lignin
Authors: Chang Minmin , Wang Xiaohui , Lin Qixuan , Li Rui , Zhao Lihong , Ren Junli , Zhang Fengshan
Published: July 2022

An environmentally friendly approach inspired by pulping was proposed to convert industrial furfural residue, which was difficult to further convert into nanocellulose, lignin, and nano-scale lignin.
Adipose microtissue-on-chip: a 3D cell culture platform for differentiation, stimulation, and proteomic analysis of human adipocytes
Authors: Compera Nina , Atwell Scott , Wirth Johannes , von Törne Christine , Hauck Stefanie M. , Meier Matthias
Published: July 2022

In this study, we developed a microfluidic large-scale integration chip platform to automate longitudinal 3D cell culture studies. Proteome analysis of on chip cultured adipocytes under changing glucose conditions revealed metabolic stress profiles.
Highly efficient and reversible adsorption of ammonia by incorporation of deep eutectic solvents into silica gel and Al2O3
Authors: Zong Kai , Li Ke , Zhou Ziyue , Gong Lei , Deng Dongshun
Published: July 2022

Highly efficient and reversible adsorption of ammonia by incorporation of deep eutectic solvents into silica gel and Al2O3.
Zwitterion-functionalized MIL-125-NH2-based thin-film nanocomposite forward osmosis membranes: towards improved performance for salt rejection and heavy metal removal
Authors: Bayrami Arshad , Bagherzadeh Mojtaba , Navi Hossein , Nikkhoo Mohammad , Amini Mojtaba
Published: July 2022

Incorporating zwitterion-functionalized MIL-125-NH2nanoparticles in the rejection layer of TFN FO membranes improves their water/ion separation performance and antifouling ability.
Self-supported V-doped NiO electrocatalyst achieving a high ammonia yield of 30.55 μg h−1 cm−2 under ambient conditions
Authors: Li Heen , Chen Shuheng , He Maoyue , Jin Jing , Zhu Kunling , Peng Fei , Gao Faming
Published: July 2022

Vanadium doped nickel oxide grows on nickel foam exhibits a splendid NH3 yield and a high faradaic efficiency.
Biphenyl-containing amido Schiff base derivative as a turn-on fluorescent chemosensor for Al3+ and Zn2+ ions
Authors: Hoque Anamika , Islam Md Sanaul , Khan Mehebub Ali , Ghosh Soumen , Sekh Md. Asraful , Hussain Sahid , Alam Md. Akhtarul
Published: July 2022

A hydrazine-derived bis(2-hydroxybenzylidene)-[1,1′-biphenyl]-2,2′-dicarbohydrazide (sensor 1) can selectively recognize Al3+ and Zn2+ with significant fluorescence enhancement at 458 nm and 478 nm.
Potential application value of hydroxychalcones based on isoliquiritigenin in agricultural plant diseases
Authors: Li Hu , Wu Zheng-Rong , Chu Qing-Ru , Liang Hong-Jie , Liu Ying-Qian , Wu Tian-Lin , Ma Yue
Published: July 2022

To improve the fungicidal activity of the lead compound isoliquiritigenin, 33 hydroxychalcones were designed and prepared.
Experimental platform for the functional investigation of membrane proteins in giant unilamellar vesicles
Authors: Dolder Nicolas , Müller Philipp , von Ballmoos Christoph
Published: July 2022

Relevant steps of functional membrane protein investigation in giant unilamellar vesicles (GUVs) are compared for GUVs formed by PVA assisted swelling or electroformation under physiologically relevant conditions.
Transient shape morphing of active gel plates: geometry and physics
Authors: Damioli Valentina , Zorzin Erik , DeSimone Antonio , Noselli Giovanni , Lucantonio Alessandro
Published: July 2022

Active hydrogel plates designed to achieve axisymmetric equilibrium configurations exhibit nonaxisymmetric transient shapes at early times due to faster swelling at the rims. Lateral solvent fluxes induce compressive stresses that trigger buckling.
Prostate cancer as a dedifferentiated organ: androgen receptor, cancer stem cells, and cancer stemness
Authors: Liu Xiaozhuo , Li Wen (Jess) , Puzanov Igor , Goodrich David W. , Chatta Gurkamal , Tang Dean G.
Published: July 2022

Cancer progression is characterized and driven by gradual loss of a differentiated phenotype and gain of stem cell-like features. In prostate cancer (PCa), androgen receptor (AR) signaling is important for cancer growth, progression, and emergence of therapy resistance. Targeting the AR signaling axis has been, over the decades, the mainstay of PCa therapy. However, AR signaling at the transcription level is reduced in high-grade cancer relative to low-grade PCa and loss of AR expression promotes a stem cell-like phenotype, suggesting that emergence of resistance to AR-targeted therapy may be associated with loss of AR signaling and gain of stemness. In the present mini-review, we first discuss PCa from the perspective of an abnormal organ with increasingly deregulated differentiation, and discuss the role of AR signaling during PCa progression. We then focus on the relationship between prostate cancer stem cells (PCSCs) and AR signaling. We further elaborate on the current methods of using transcriptome-based stemness-enriched signature to evaluate the degree of oncogenic dedifferentiation (cancer stemness) in pan-cancer datasets, and present the clinical significance of scoring transcriptome-based stemness across the spectrum of PCa development. Our discussions highlight the importance to evaluate the dynamic changes in both stem cell-like features (stemness score) and AR signaling activity across the PCa spectrum.
Simultaneous J-, H-, K- and L-band spectroscopic observations of galactic Be stars
Authors: Cochetti Y. R. , Arias M. L. , Cidale L. S. , Granada A. , Torres A. F.
Published: July 2022

Context. It is already accepted that Be stars are surrounded by circumstellar envelopes, which are mostly compatible with a disc geometry in Keplerian rotation. Their infrared region is characterised by a moderate flux excess and the presence of hydrogen recombination lines that allow us to obtain information on the physical and dynamical structure of different regions inside the disc. Nevertheless, many of the infrared studies available in the literature show low-resolution spectra, or are restricted to a small object sample or describe just an individual object. Some others analyse reduced spectral ranges or just one infrared band.

Aims. We aim to obtain a more complete characterisation of the properties of the circumstellar environment of Be stars that helps to constrain the theoretical models of the Be phenomenon.

Methods. Throughout the last decade, we used the spectroscopic facilities at the Gemini and Las Campanas observatories to obtain quasi-simultaneous spectra in the J, H, K, and L bands of a sample of Be stars with medium resolution.

Results. We present near-infrared, medium-resolution spectra of a sample of galactic Be stars with different spectral subtypes and luminosity classes. We measure different parameters of the hydrogen recombination lines from the Paschen, Brackett, Pfund, and Humphreys series, and use them to diagnose physical conditions in the circumstellar environment. We analysed the equivalent-width (EW) ratio between Brα and Brγ lines and different diagrams of flux ratios. We also identify lines from He i, C i, N i, O i, Na i, Mg i, Mg ii, Si i, Fe i, and Fe ii. Analysing the EW measurements of particular He i, Mg ii, Fe i, Fe ii and O i lines, we find that for some lines they correlate with the spectral type of the star. Particularly, the emission of the O i λ 1.3168 μm line decreases towards the later spectral types.

Conclusions. We present an atlas of 22 Be stars, that covers a wide infrared (IR) spectral range with quasi-simultaneous observations. From a detailed analysis, we define new complementary criteria to Mennickent’s classification of Be stars according to their disc opacity. Some objects in our sample present compact thick envelopes, while in others the envelope is extended and optically thin. The correlation between the full widths at half maximum and the peak separation (ΔV) versus V sin i for the Br10, Brδ, and Hu14 lines reveals that the broadening mechanism is rotational. The Lyβ fluorescence is a key mechanism to explain the intensity of the emission of Mg ii and O i lines.
The IACOB project
Authors: Holgado G. , Simón-Díaz S. , Herrero A. , Barbá R. H.
Published: July 2022

Context. Stellar rotation is of key importance in the formation process, the evolution, and the final fate of massive stars.

Aims. We perform a reassessment of the empirical rotational properties of Galactic massive O-type stars using the results from a detailed analysis of ground-based multi-epoch optical spectra obtained in the framework of the IACOB & OWN surveys.

Methods. Using high-quality optical spectroscopy, we established the velocity distribution for a sample of 285 apparently single and single-line spectroscopic binary (SB1) Galactic O-type stars. We also made use of the rest of the parameters from the quantitative spectroscopic analysis presented in prior IACOB papers (mainly Teff, log g, and multiplicity) to study the v sin i behavior and evolution from the comparison of subsamples in different regions of the spectroscopic Hertzsprung–Rusell diagram (sHRD). Our results are compared to the main predictions – regarding current and initial rotational velocities – of two sets of well-established evolutionary models for single stars, as well as from population synthesis simulations of massive stars that include binary interaction.

Results. We reassess the known bimodal nature of the v sin i distribution, and find a non-negligible difference between the v sin i distribution of single and SB1 stars. We provide empirical evidence supporting the proposed scenario that the tail of fast rotators is mainly produced by binary interactions. Stars with extreme rotation (>300 km s−1) appear as single stars that are located in the lower zone of the sHRD. We notice little rotational braking during the main sequence, a braking effect independent of mass (and wind strength). The rotation rates of the youngest observed stars lean to an empirical initial velocity distribution with ⪅20% of critical velocity. Lastly, a limit in v sin i detection below 40–50 km s−1 seems to persist, especially in the upper part of the sHRD, possibly associated with the effect of microturbulence in the measurement methodology used.
Hot magnetic halo of NGC 628 (M 74)
Authors: Weżgowiec M. , Beck R. , Hanasz M. , Soida M. , Ehle M. , Dettmar R.-J. , Urbanik M.
Published: July 2022

Context. In several spiral galaxies that are observed face-on, large-scale ordered magnetic fields (the so-called magnetic arms) were found. One of the explanations was the action of the magnetic reconnection, which leads to a higher ordering of the magnetic fields. Because it simultaneously converts the energy of the magnetic fields into thermal energy of the surroundings, magnetic reconnection has been considered as a heating mechanism of the interstellar medium for many years. Until recently, no clear observational evidence for this phenomenon was found.

Aims. We search for possible signatures of gas heating by magnetic reconnection effects in the radio and X-ray data for the face-on spiral galaxy NGC 628 (M 74), which presents pronounced magnetic arms and evidence for vertical magnetic fields.

Methods. The strengths and energy densities of the magnetic field in the spiral and magnetic arms were derived, as were the temperatures and thermal energy densities of the hot gas, for the disk and halo emission.

Results. In the regions of magnetic arms, higher order and lower energy density of the magnetic field is found than in the stellar spiral arms. The global temperature of the hot gas is roughly constant throughout the disk.

Conclusions. The comparison of the findings with those obtained for the starburst galaxy M 83 suggests that magnetic reconnection heating may be present in the halo of NGC 628. The joint analysis of the properties of the magnetic fields and the hot gas in NGC 628 also provided clues for possible tidal interaction with the companion galaxy.
Evaluation of electrical conductivity of Fe-doped forsterite ceramics synthetized by sol–gel method
Authors: El Asri Saloua , El Hadri Mohammed , Ahamdane Hamid , Hajji Lahoucine , Ounacer Mohamed , Sajieddine Mohammed , El Idrissi Raghni Moulay Ahmed , Mansori Mohammed
Published: July 2022

This work aims to investigate the effect of sintering temperature and iron doping on the electrical conductivity of forsterite in the temperature range of 300–400 °C. For this purpose, olivine compositions (Mg2-xFexSiO4; x = 0, 0.05 and 0.1) were synthetized by sol-gel process and then characterized by different techniques. The obtained results indicate the successful formation of dense single phase olivine ceramics. It was also found that Fe inserted in forsterite lattice has both Fe (II) and Fe (III) oxidation states. Regarding the electrical conductivity, it turned out to be more sensitive to both investigation parameters, in contrast with the activation energy characterizing the diffusion of carriers charge responsible of electrical conductivity. The prepared samples were characterized by: XRD, SEM techniques and Raman, Mössbauer and impedance spectroscopies.
Moderne Antikoagulation mit FXa-Inhibitoren in der Onkologie: Ist die gastrointestinale Blutungsrate (mit)-entscheidend?
Authors: Raithel Martin , Haibach Martina , Kremenevski Igor , Arnold Erich , Ringwald Jürgen
Published: July 2022

Das erhöhte Thrombose- und Blutungsrisiko bei aktiver Tumorerkrankung wird als sog. „thrombo-hämorrhagisches Syndrom“ bezeichnet, welches hohe Anforderungen an die Antikoagulation stellt. Aktuell liegen 4 randomisierte, prospektive Studien zum Einsatz von neuen, nicht Vitamin K-abhängigen oralen Antikoagulantien (NOAK) zur Behandlung von in der Onkologie aufgetretenen venösen Thromboembolien (VTE) vor. Dabei wurden die FXa-Inhibitoren Rivaroxaban, Edoxaban und zweimal Apixaban jeweils in einzelnen Studien gegenüber dem Standardtherapeutikum Dalteparin eingesetzt. Da es keinen direkten Head-to-Head-Vergleich der genannten FXa-Inhibitoren innerhalb einer Studie gibt, wurde zu jedem NOAK die jeweils größte Studie – stets verglichen gegenüber Dalteparin – ausgewertet. Die Studien wurden bzgl. ihrer Wirksamkeit, Sicherheit, fataler Blutungsraten, dem Risiko für gastrointestinale Blutungen (GIB) und sonstiger Unterschiede anhand deskriptiver Statistik analysiert. Unter Dalteparin ergab sich eine mittlere VTE-Rezidivrate von ca. 9% bei einem 6-monatigen Behandlungszeitraum. Alle 3 FXa-Inhibitoren waren gegenüber Dalteparin bezüglich der Wirksamkeit nicht unterlegen. Die VTE-Rezidivrate war bei mit Edoxaban und Apixaban behandelten Patienten um – 2,3% und bei Rivaroxaban um – 5,0% niedriger.

Bei der Sicherheit fanden sich – jeweils gegenüber Dalteparin – für Rivaroxaban und Edoxaban eine erhöhte Rate an schweren Blutungen (jeweils +2,4%); insbesondere war hierbei die Zahl GIB deutlich erhöht. Dagegen war für Apixaban die Zahl schwerer Blutungen, wie auch für verschiedene Blutungstypen inkl. GIB, nicht erhöht. In der Apixabanstudie war insgesamt die Rate von schweren GIB, die ca. 50% aller schweren Blutungen ausmachten, und die der klinisch-relevanten nicht schweren Blutungen, am niedrigsten. Die FXa-Inhibitoren sind der Standardtherapie mit Dalteparin in der VTE-Rezidivrate bei onkologischen Patienten nicht unterlegen. Die GIB-Rate scheint ein wichtiger prädiktiver Faktor für die Sicherheit dieser Substanzgruppe zu sein, sodass Tumorlokalisation, gastrointestinale Risikofaktoren und andere individuelle Kriterien in Zukunft stärker bei der Therapieentscheidung für oder gegen einen FXa-Inhibitor berücksichtigt werden sollten.
A Influência dos nódulos de Schmorl no equilíbrio sagital de adultos jovens
Authors: Silva Joana Gomes da , Baptista Mário , Direito-Santos Bruno , Varanda Pedro , Duarte Rui M.
Published: July 2022

Objetivos O presente estudo tem como objetivo caracterizar o equilíbrio sagital (SB, na sigla em inglês) espinhal em adultos jovens com nódulos de Schmorl (NS).

Métodos Este é um estudo transversal de uma amostra composta por 47 adultos jovens. Ressonância magnética (RM) lombar foi usada para separar os pacientes em um grupo com NS e um grupo controle. Radiografias da coluna vertebral em pé foram usadas para comparar os parâmetros espinopélvicos do SB entre os grupos: eixo vertical sagital, cifose torácica, lordose lombar (LL), incidência pélvica (PI, na sigla em inglês), inclinação pélvica (PT, na sigla em inglês) e inclinação sacral (SS, na sigla em inglês).

Resultados Os valores de LL e SS foram significativamente menores nos pacientes com NS em comparação com o grupo controle (54,5° versus 64,3°; 36,2° versus 41,4°, respectivamente). Não foram observadas diferenças significativas nos demais parâmetros. Os dois grupos apresentaram correlações significativas entre LL e SS, PI e PT e PI e SS.

Conclusões Adultos jovens com NS apresentam modificações associadas ao SB, principalmente valores menores de LL e SS, em comparação com o grupo controle. Este perfil mais plano assemelha-se ao observado em pacientes com lombalgia e patologia discal em estágio inicial. Acreditamos que o NS seja um achado clínico relevante que deve levar ao estudo do SB de um paciente por poder revelar variações associadas aos primeiros estágios de degeneração discal.

Nível de Evidência III
Tradução e adaptação transcultural do instrumento Milestones de avaliação do ensino dos serviços de residência médica em ortopedia e traumatologia
Authors: Castro Ubiratan Brum de , Gomes Gustavo Remigio , Simão Kalil Francisco Restivo , Egito Liev José Cahino do , Figueiredo Sávio Daniel Freire de Albuquerque , Júnior Rosalvo Zósimo Bispo
Published: July 2022

Objetivo A ortopedia é uma especialidade pouco presente na formação de muitas escolas médicas brasileiras, sendo que não foi identificado nenhum questionário que avalie o ensino das desordens musculoesqueléticas durante a formação médica. O Orthopedic Surgery Milestone Project constitui um instrumento de avaliação de residentes de ortopedia nos programas de residência ou bolsas credenciados pela ACGME (The Accreditation Council for Graduate Medical Education) e pelo ABOS (The American Board of Orthopedic Surgery). O objetivo é realizar a tradução para a língua portuguesa e adaptação transcultural do Orthopedic Surgery Milestone Project.

Métodos A tradução e adaptação transcultural consistiram na tradução inicial para o português, retro tradução para o inglês, análise para a obtenção de uma versão consensual pré-teste e posterior versão final.

Resultados A versão final foi considerada adequada e equivalente à original para a avaliação dos residentes de ortopedia ao longo do programa de residência médica.

Conclusões Diante da falta de instrumentos para a avaliação dos residentes em Ortopedia, a tradução e a adaptação transcultural do Orthopedic Surgery Milestone Project foi compatível, podendo ser um instrumento para uma formação médica mais adequada.
Eficácia na esterilização de objetos produzidos pela impressão 3D com material ácido polilático: Comparação entre os métodos autoclave e óxido de etileno
Authors: Ramos Carlos Henrique , Wild Pedro Minuzzi , Martins Eduardo de Carvalho
Published: July 2022

Objetivo Devido à popularidade da tecnologia 3D, cirurgiões podem criar guias cirúrgicos específicos e esterilizá-los nas suas instituições. O objetivo do presente estudo é comparar a eficácia dos métodos de esterilização por autoclave e óxido de etileno (OE) de objetos produzidos pela impressão 3D com material ácido polilático (PLA, na sigla em inglês).

Métodos Quarenta objetos em formato cúbico foram impressos com material de PLA. Vinte eram sólidos e 20 eram ocos (impressos com pouco enchimento interno). Vinte objetos (10 sólidos e 10 ocos) foram esterilizados em autoclave, formando o Grupo 1. Os demais (10 sólidos e 10 ocos) foram esterilizados em OE, compondo o Grupo 2. Após a esterilização, os objetos foram armazenados e encaminhados para cultura. Objetos ocos de ambos os grupos foram quebrados durante a semeadura, comunicando o espaço morto com o meio de cultura. Os resultados obtidos foram analisados estatisticamente (teste exato de Fisher e análise de resíduo).

Resultados No grupo 1 (autoclave) houve crescimento bacteriano em 50% dos objetos sólidos e em 30% dos objetos ocos. No grupo 2 (OE) o crescimento ocorreu em 20% dos objetos ocos, com ausência de crescimento bacteriano nos objetos sólidos (100% de amostras negativas). A bactéria isolada nos casos positivos foi Staphylococcus Gram positivo não produtor de coagulase.

Conclusões A esterilização tanto em autoclave quanto pelo OE não foi eficaz para objetos impressos no formato oco. Objetos sólidos esterilizados em autoclave não demonstraram 100% de amostras negativas, não sendo seguro no presente ensaio. Ausência completa de contaminação ocorreu apenas com objetos sólidos esterilizados pelo OE, sendo a combinação recomendada pelos autores.
Crystal structure and magnetic properties in semiconducting Eu3−δZnxSnyAs3 with Eu-Eu dimers
Authors: Yang Yongqi , Cheng Guangming , Blawat Joanna , Moseley Duncan H. , Wang Haozhe , Devlin Kasey P. , Yu Yu , Hermann Raphaël P. , Yao Nan , Jin Rongying , Xie Weiwei
Published: July 2022

Magnetic structure and crystal symmetry, which primarily determine the time-reversal and inversion symmetry, may give rise to numerous exotic quantum phenomena in magnetic semiconductors and semimetals when arranged in different patterns. In this work, a new layered magnetic semiconductor, Eu3−δZnxSnyAs3, was discovered and high-quality single crystals were grown using the Sn flux. According to structural characterization by x-ray diffraction and atomic-resolution scanning transmission electron microscopy, Eu3−δZnxSnyAs3 is found to crystallize in a hexagonal symmetry with the space group P63/mmc (No. 194). After examining different specimens, we conclude that their stoichiometry is fixed at ∼Eu2.6Zn0.65Sn0.85As3, which meets the chemical charge balance. Eu3−δZnxSnyAs3 is composed of septuple (Eu1−δSnyAs2)-Eu-(ZnxAs)-Eu sequences. The shortest Eu–Eu distance in the system is between two Eu layers separated by ZnxAs along the c-axis. Magnetization measurement shows an antiferromagnetic ordering in Eu3−δZnxSnyAs3 at TN ∼ 12 K, where the magnetic easy-axis is along the c-axis, and Mössbauer spectroscopy observes magnetic hyperfine splitting on Eu and Sn at 6 K. Magnetic anisotropy is significantly different from the ones along the ab-plane in other layered Eu-based magnetic semimetals. Heat capacity measurements confirm the magnetic transition around 12 K. Electrical resistivity measurement indicates semiconductor behavior with a band gap of ∼0.86 eV. Various Eu-based magnetic semiconductors could provide a tunable platform to study potential topological and magnetic properties.
Pressure-induced photoconductivity enhancement and positive–negative switch in bulk silicon
Authors: Li Chenyi , Liu Ran , Zhao Tingting , Li Zonglun , Yue Lei , Lin Tao , Zhang Xueting , Li Quanjun , Liu Bingbing
Published: July 2022

Silicon is a long-standing photosensitive material because of its unique photoelectronic properties and mature manufacturing technology. However, silicon photodetectors are generally limited by weak photoresponse in the near-infrared region. In this work, pressure is used as an effective means of tuning the photoresponse of silicon, specifically in the near-infrared region. Silicon has two different types of photoresponse under pressure. In the pressure range from 1 atm to 10 GPa, huge pressure-enhanced photocurrent is observed under illumination by a xenon lamp and near-infrared light (1064 nm). At 10 GPa, the photocurrent density (Jph), responsivity (R), and external quantum efficiency are increased 40-fold from those at 1.2 GPa. Interestingly, above 10 GPa, a unique pressure-induced positive–negative photoresponse switch is found along with the phase transformation from the semiconductive phase (Si I) to the metallic phase (β-tin). Further experiments show that the photothermal effect is the main factor for negative photoresponse. All these pressure-induced properties give silicon more possibilities in the further design of visible and infrared photodetectors.
Density reconstruction in convergent high-energy-density systems using x-ray radiography and Bayesian inference
Authors: Ressel S. , Ruby J. J. , Collins G. W. , Rygg J. R.
Published: July 2022

X-ray radiography is a technique frequently used to diagnose convergent high-energy-density (HED) systems, such as inertial confinement fusion implosion, and provides unique information that is not available through self-emission measurements. We investigate the scope and limits of that information using a radiography simulation combined with the Bayesian inference workflow. The accuracy of density reconstruction from simulated radiographs of spherical implosions driven with 27 kJ laser energy is assessed, including the increase or decrease in accuracy due to the addition of Lagrangian marker layers, Poisson noise, and improved prior information. This work is the first to present the full uncertainty distributions inferred from radiography analysis in HED systems and demonstrates the importance of constructing the full posterior probability density, as opposed to a point estimate, due to the modal structure of the likelihood surface introduced by typical experimental noise sources. This general methodology can be used both for robust analysis of radiographic data and for an improved design of radiography experiments by modeling the full experimental system.
Measuring transmitted wavefronts for general optical systems in a broad bandwidth range
Authors: Wang Haoyu , Zhang Qiyuan , Wang Fang , Li Chan , Han Sen
Published: July 2022

Although laser interferometers have emerged as the main tool for the measurement of transmitted wavefronts, their application is greatly limited as they are typically designed for operations at specific wavelengths. In a previous study [Q. Zhang, H. Wang, P. Wu, Y. Fu, X. Li, Q. Wang, and S. Han, “Estimating transmitted wavefronts in a broad bandwidth based on Zernike coefficients,” J. Opt. 21(9), 095601 (2019)], we proposed a method for determining the wavefront transmitted by an optical system at any wavelength in a certain band. Although this method works well for most monochromatic systems where the image plane is at the focal point for the transmission wavelength, for general multi-color systems, it is more practical to measure the wavefront at the defocused image plane. Hence, in this paper, we have developed a complete method for determining transmitted wavefronts in a broad bandwidth at any defocused position, thereby enabling wavefront measurements for multi-color systems. We also conducted experiments to verify these assumptions, validating the method. The experimental setup has been improved so that it can handle multi-color systems, and a detailed experimental process is summarized. With this technique, application of broadband transmission wavefront measurement can be extended to most general optical systems, which is of great significance for the characterization of achromatic and apochromatic optical lenses.
Critical spatial disorder in InGaN resonant Bragg structures
Authors: Ivanov A. A. , Chaldyshev V. V. , Ushanov V. I. , Zavarin E. E. , Sakharov A. V. , Lundin W. V. , Tsatsulnikov A. F.
Published: July 2022

We study a disorder-induced transformation of the resonant optical reflection from a nearly periodic system of quasi-2D excitons in the InGaN quantum wells arranged as a resonant Bragg structure (RBS). We show that there is a critical deviation from the exact periodicity when the reflection by a single super-radiant exciton–polariton mode is transformed into a multimode spectrum. This critical disorder appears to be inversely proportional to the number of periods in the RBS. Using a numerical model which describes the experimentally observed optical spectra, we found the critical standard deviation from exact periodicity to be 1.76%, 1.0%, and 0.45% for InGaN-based RBS with 60, 100, and 200 periods, respectively.
Flow-induced scission of wormlike micelles in nonionic surfactant solutions under shear flow
Authors: Koide Yusuke , Goto Susumu
Published: July 2022

We investigate flow-induced scission of wormlike micelles with dissipative particle dynamics simulations of nonionic surfactant solutions under shear flow. To understand flow-induced scission in terms of micellar timescales, we propose a method to evaluate the longest relaxation time of unentangled surfactant micelles from the rotational relaxation time and the average lifetime at equilibrium. The mean squared displacement of surfactant molecules provides evidence that the longest relaxation time estimated by the proposed method serves as the characteristic timescale at equilibrium. We also demonstrate that the longest relaxation time plays an essential role in flow-induced scission. Using conditional statistics based on the aggregation number of micelles, we examine the statistical properties of the lifetime of wormlike micelles. We then conclude that flow-induced scission occurs when the Weissenberg number defined as the product of the longest relaxation time and the shear rate is larger than a threshold value.
Predicting electrical conductivity in Cu/Nb composites: A combined model-experiment study
Authors: Blaschke Daniel N. , Miller Cody , Mier Ryan , Osborn Carl , Thomas Sean M. , Tegtmeier Eric L. , Winter William P. , Carpenter John S. , Hunter Abigail
Published: July 2022

The generation of high magnetic fields requires materials with high electric conductivity and good strength properties. Cu/Nb composites are considered to be good candidates for this purpose. In this work, we aim to predict, from theory, the dependence of electric conductivity on the microstructure, most notably on the layer thickness and grain sizes. We also conducted experiments to calibrate and validate our simulations. Bimetal interfaces and grain boundaries are confirmed to have the largest impact on conductivity in this composite material. In this approach, a distribution of the layer thickness is accounted for in order to better model the experimentally observed microstructure. Because layer thicknesses below the mean free path of Cu significantly degrade the conductivity, an average layer thickness larger than expected may be needed to meet conductivity requirements in order to minimize these smaller layers in the distribution. We also investigate the effect of variations in volume fraction of Nb and temperature on the material’s conductivity.
Effect of discrete fractures with or without roughness on seepage characteristics of fractured rocks
Authors: Shi Di , Li Liping , Liu Jianjun , Wu Mingyang , Pan Yishan , Tang Jupeng
Published: July 2022

This study proposes a new fractal permeability model for fractured rocks that comprehensively accounts for the geometric fracture characteristics and the fluid transport mechanism. Then, the permeability changes of fractured rocks are analyzed using discrete fracture networks (DFNs) with or without roughness and different geometry parameters in the DFN modeling and finite element simulation. The results show that the proposed permeability model well agrees with the experimental data, and the established DFN numerical model more realistically reflects the fracture network in fractured rocks. Fluctuation of tortuous fracture lines (rough fractures) increases the fracture intersection probability, consequently increasing the fracture intersection area or connecting adjacent fractures. Moreover, permeability increases with the fractal dimension Df, porosity ϕ, maximum fracture length lmax, and proportionality coefficient β, and it decreases with increasing fractal dimension DTf of fracture tortuosity. When the fracture proportionality coefficient is 0.001 ≤ β ≤ 0.01, different DFNs yield similar simulation results for permeability. However, with increasing fracture network complexity, the predictive model created using conventional DFN (C-DFN) increasingly overestimates the fractured rock permeability. Thus, building a permeability model for a fractured rock using rough DFN (R-DFN) is more effective than that using C-DFN. Our findings are helpful for real permeability predictions via DFN and analytical modeling.
Controlled compositional gradients of electroformed gold and silver
Authors: McBride Michael , Stull Jamie A. , Dervishi Enkeleda , Johnson Donald R. , Hooks Daniel E.
Published: July 2022

Motivated by an interest in high-pressure research, thick (>1 mm) compositionally graded gold/silver (Au/Ag) films were electroformed. Systematic studies were performed to understand the role of processing temperature on the nucleation and growth kinetics and associated microstructure. Furthermore, as the electrolyte composition is continuously changing during the experiment, systematic studies were performed to correlate electrochemical parameters with film morphology and composition. The results showed that the nucleation pathways and relative deposition rate of Au and Ag are heavily dependent on the processing temperature. A procedure to ramp the temperature while continuously pumping an Au electrolyte into an initial Ag electrolyte to produce the graded film is presented. The obtained film is comprised of a segment of pure Au followed by a complete compositional gradient and ending with a segment of pure Ag across 1.5 mm. The results presented here describe a general framework to fabricate gradients of other materials through electrodeposition.
Nanoindentation applied to ion-irradiated and neutron-irradiated Fe-9Cr and Fe-9Cr-NiSiP model alloys
Authors: Bergner Frank , Kaden Cornelia , Das Aniruddh , Merino Susana , Diego Gonzalo , Hähner Peter
Published: July 2022

Nanoindentation of ion-irradiated materials has attracted much interest as a tool envisaged to derive the dose dependence of bulk-equivalent hardness from small samples. A major challenge arises from the steep damage gradient in the thin ion-irradiated layer and its unavoidable interplay with the indentation size effect. The present study relies on a number of choices aimed at simplifying the interpretation of the results and strengthening the conclusions. The studied alloys are two ferritic Fe-9Cr model alloys differing in controlled amounts of Ni, Si, and P known to enhance irradiation hardening. Both ion-irradiated (5 MeV Fe2+ ions) and neutron-irradiated samples along with the unirradiated references were investigated using Berkovich tips. According to the collaborative nature of the study, tests were conducted in two different laboratories using different equipment. A generalized Nix–Gao approach was applied to derive the bulk-equivalent hardness and characteristic length scale parameters for the homogeneous unirradiated and neutron-irradiated samples. Comparison with Vickers hardness indicates a 6% overestimation of the bulk-equivalent hardness as compared to the ideal correlation. For the case of ion irradiation, a first model assumes a homogeneous irradiated layer on a homogeneous substrate, while a second model explicitly takes into account the damage gradient. The first model was combined with both the original and the generalized Nix–Gao relation. We have found that the results revealed for Fe-9Cr vs Fe-9Cr-NiSiP are compatible with expectations based upon known irradiation-induced microstructures. The bulk-equivalent hardness derived for ion-irradiated samples reasonably agrees with the observation for neutron-irradiated samples.
Dynamics of premixed hydrogen/air flames in unsteady flow
Authors: Zhang F. , Zirwes T. , Wang Y. , Chen Z. , Bockhorn H. , Trimis D. , Stapf D.
Published: July 2022

Fully resolved numerical simulations with finite rate chemical reactions and detailed molecular diffusion have been conducted for a series of laminar premixed hydrogen–air flames under atmospheric condition. The objective of the work is to study the influence of unsteadiness of the flow on the local and global flame dynamics. Two equivalence ratios with Φ=0.5 and 4 are considered, leading to a negative and a positive Markstein number Ma0 at steady-state condition. The flames are excited with oscillating inflows at pre-defined frequencies f to assess the effect of unsteady flame stretch on flame dynamics. The Damköhler number, defined by the ratio of the inverse frequency of the oscillations and flame transit time, is used to characterize the interactions between the flow and the chemical reactions based on their time scales. For both lean and rich flame conditions, the local flame speed Sl is less sensitive to the flame stretch in an unsteady flow, which results in a reduced magnitude of the Markstein number |Ma¯|. In addition, |Ma¯| is smallest when the time scale of the flow approaches the intrinsic time scale of the flame (Da≈1). The global consumption speed St, computed from integration of the fuel burning rate over the whole computational domain, yields a phase delay and a damped oscillation with respect to the unsteady inflow. The phase delay increases with f or decreasing Da, whereas the reverse trend has been found for the oscillation amplitude of St. The flame is not able to follow the unsteady flow or adjust its flame surface at high excitation frequencies with Da <1, and vice versa in the low frequency range with Da≫1. An efficiency factor E has been introduced to model the damped response of the flame due to flow unsteadiness, which reproduces the asymptotic behavior of E→0 at Da≪1 and E→1 at Da≫1. The simulation results reveal that the fluctuation time scale plays a significant role in elucidating the effect of flame–flow interaction, which should be considered for turbulent combustion modeling.
A Landau–Devonshire analysis of strain effects on ferroelectric Al1−xScxN
Authors: Yazawa Keisuke , Zakutayev Andriy , Brennecka Geoff L.
Published: July 2022

We present a thermodynamic analysis of the recently discovered nitride ferroelectric materials using the classic Landau–Devonshire approach. Electrostrictive and dielectric stiffness coefficients of Al1−xScxN with a wurtzite structure (6 mm) are determined using a free energy density function assuming a hexagonal parent phase (6/mmm), with the first-order phase transition based on the dielectric stiffness relationships. The results of this analysis show that the strain sensitivity of the energy barrier is one order of magnitude larger than that of the spontaneous polarization in these wurtzite ferroelectrics, yet both are less sensitive to strain compared to classic perovskite ferroelectrics. These analysis results reported here explain experimentally reported sensitivity of the coercive field to elastic strain/stress in Al1−xScxN films and would enable further thermodynamic analysis via phase field simulation and related methods.
Dynamic fingerprints of synthetic antiferromagnet nanostructures with interfacial Dzyaloshinskii–Moriya interaction
Authors: Lonsky Martin , Hoffmann Axel
Published: July 2022

Synthetic antiferromagnet (SAF) nanostructures with an interfacial Dzyaloshinskii–Moriya interaction can host topologically distinct spin textures, such as skyrmions, and therefore, are regarded as promising candidates for both spintronics and magnonics applications. Here, we present comprehensive micromagnetic simulations of such material systems and discuss the rich phase diagrams that contain various types of magnetic configurations. Aside from the static properties, we further discuss the resonant excitations of the calculated magnetic states, which include individual skyrmions and skyrmioniums. Finally, the internal modes of SAF skyrmion clusters are studied and discussed in the context of magnetic sensing applications based on the dynamic fingerprint in broadband ferromagnetic resonance measurements.