bluuebunny/crossref_metadata_2025 huggingface dataset:
Gut permeability may be associated with periprosthetic joint infection after total hip and knee arthroplasty
Authors: Chisari Emanuele , Cho Jeongeun , Wouthuyzen-Bakker Marjan , Parvizi Javad
Published: September 2022

A growing number of recent investigations on the human genome, gut microbiome, and proteomics suggests that the loss of mucosal barrier function, particularly in the gastrointestinal tract, may substantially affect antigen trafficking, ultimately influencing the close bidirectional interaction between the gut microbiome and the immune system. This cross-talk is highly influential in shaping the host immune system function and ultimately affecting the outcome of interventions. We hypothesized that the loss of mucosal barrier in the gut may be associatedto acute and chronic periprosthetic joint infections (PJI). Zonulin, soluble CD14 (sCD14), and lipopolysaccharide (LPS) were tested in plasma as part of a prospective cohort study of patients undergoing primary arthroplasty or revision arthroplasty because of an aseptic failure or PJI (as defined by the 2018 criteria). All blood samples were collected before antibiotic administration. Samples were tested using commercially available enzyme-linked immunosorbent assays as markers for gut permeability. A total of 134 patients were included in the study of which 44 patients had PJI (30 chronic and 14 acute), and the remaining 90 patients were categorized as non-infected that included 64 patients revised for aseptic failure, and 26 patients undergoing primary total joint arthroplasty. Both Zonulin (7.642 ± 6.077 ng/mL vs 4.560 ± 3.833 ng/mL; p < 0.001) and sCD14 levels (555.721 ± 216.659 ng/mL vs 396.872 ± 247.920 ng/mL; p = 0.003) were significantly elevated in the PJI group compared to non-infected cases. Higher levels of Zonulin were found in acute infections compared to chronic PJI (11.595 ± 6.722 ng/mL vs. 5.798 ± 4.841 ng/mL; p = 0.005). This prospective study reveals a possible link between gut permeability and the ‘gut-immune-joint axis’ in PJI. If this association continues to be borne out with a larger cohort and more in-depth analysis, it will have a clinically significant implication in managing patients with PJI. It may be that in addition to the administration of antimicrobials, patients with PJI and other orthopaedic infections may benefit from administration of gastrointestinal modulators such as pro and prebiotics.
Quantifying collective identity online from self-defining hashtags
Authors: Barron Alexander T. J. , Bollen Johan
Published: September 2022

Mass communication over social media can drive rapid changes in our sense of collective identity. Hashtags in particular have acted as powerful social coordinators, playing a key role in organizing social movements like the Gezi park protests, Occupy Wall Street,#metoo, and#blacklivesmatter. Here we quantify collective identity from the use of hashtags as self-labels in over 85,000 actively-maintained Twitter user profiles spanning 2017–2019. Collective identities emerge from a graph model of individuals’ overlapping self-labels, producing a hierarchy of graph clusters. Each cluster is bound together and characterized semantically by specific hashtags key to its formation. We define and apply two information-theoretic measures to quantify the strength of identities in the hierarchy. First we measure collective identity coherence to determine how integrated any identity is from local to global scales. Second, we consider the conspicuousness of any identity given its vocabulary versus the global identity map. Our work reveals a rich landscape of online identity emerging from the hierarchical alignment of uncoordinated self-labeling actions.
Applying Mendelian randomization to appraise causality in relationships between smoking, depression and inflammation
Authors: Galan D. , Perry B. I. , Warrier V. , Davidson C. C. , Stupart O. , Easton D. , Khandaker G. M. , Murray G. K.
Published: September 2022

Smoking, inflammation and depression commonly co-occur and may be mechanistically linked. However, key questions remain around the direction of association and the influence of residual confounding. We aimed to characterize the association between lifetime smoking and depression, as well as to assess the role that genetically-predicted C-reactive protein (CRP) level, (an archetypal generalized inflammatory marker) and/or IL-6 activity, as a potential explanation for this association. We performed inverse variance weighted Mendelian randomization (MR) analyses using recently published summary-level GWAS data for lifetime smoking index, CRP levels, and depression. A subset of inflammatory-related genetic variants from the lifetime smoking GWAS were also used to assess the potential inflammatory causal pathways between smoking and depression. The analysis indicated reciprocal relationships of lifetime smoking with depression (ORSmk–Dep = 2.01, 95% CI 1.71–2.37, p < 0.001; ORDep–Smk = 1.09, 95% CI 1.06–1.13, p < 0.001), CRP levels and IL-6 activity (ORSmk–CRP = 1.40, 95% CI 1.21–1.55, p < 0.001; ORCRP–Smk = 1.03, 95% CI 1.02–1.05, p < 0.001, ORIL-6/CRP–Smk = 1.06 (1.03–1.09), p < 0.001). These associations were also supported by the majority of the robust MR methods performed. We did not find evidence for a reciprocal relationship between CRP levels (using > 500 genetic instruments for CRP) and depression (ORCRP–Dep = 1.01, 95% CI 0.99–1.04; ORDep–CRP = 1.03, 95% CI 0.99–1.07). We observed little variation in the IVW estimates between smoking and depression when we limited the genetic variants assessed to those related to measures of generalized inflammation, but we found evidence for an attenuation of the smoking-depression association in multivariable mendelian randomization when adjusting for IL-6 activity, suggesting that the IL-6 pathway may be at least in part responsible for the association of smoking and depression. Our study supports potential bidirectional causal associations between lifetime smoking and depression which may be at least in part explained by the IL-6 signalling pathway. The IL-6 pathway may represent a putative therapeutic target for smoking and to mitigate the effects of smoking on depression.
Study of curling mechanism by precision kinematic measurements of curling stone’s motion
Authors: Murata Jiro
Published: September 2022

Why do curling stones curl? That is a question physicists are often asked, yet no answer has been established. Stones rotating clockwise curl right, contrary to our naive expectations. After a century of debate between contradicting hypotheses, this paper provides a possible answer based on experimental evidence. A digital image analysis technique was used to perform precision kinematic measurements of a curling stone’s motion to identify the curling mechanism. We observed a significant left–right asymmetric friction due to velocity dependence on the friction coefficient. Combined with the discrete point-like nature of the friction between ice and stone, swinging around slow-side friction points has been concluded as the dominant origin of the curling. Many new angular momentum transfer phenomena have been found, supporting this conclusion.
An ab initio study on resistance switching in hexagonal boron nitride
Authors: Ducry Fabian , Waldhoer Dominic , Knobloch Theresia , Csontos Miklos , Jimenez Olalla Nadia , Leuthold Juerg , Grasser Tibor , Luisier Mathieu
Published: September 2022

Two-dimensional materials have been widely investigated to implement memristive devices for data storage or neuromorphic computing applications because of their ultra-scaled thicknesses and clean interfaces. For example, resistance switching in hexagonal boron nitride (h-BN) has been demonstrated. This mechanism is most of the time attributed to the movement of metallic ions. It has however also been reported when h-BN is contacted with two inert electrodes such as graphene or Pt. We suggest here that the switching mechanism of the latter devices, which has not yet been clearly established, relies on locals change of the electronic structure of h-BN as caused by atomic defects, e.g., multi-vacancies. This class of intrinsic h-BN defects can create electrically controllable interlayer bridges. We use a combination of hybrid density functional theory and the Non-equilibrium Green’s function formalism to show that a single interlayer bridge resulting from the presence of a trivacancy in a graphene/h-BN/graphene stack leads to a switching voltage of ~5 V and a high-to-low resistance ratio >100. Both values lie within the reported experimental range and thus confirm the likelihood that intrinsic defects play a key role in the resistance switching of h-BN in contact with inert electrodes.
An integrated magneto-optic modulator for cryogenic applications
Authors: Pintus Paolo , Ranzani Leonardo , Pinna Sergio , Huang Duanni , Gustafsson Martin V. , Karinou Fotini , Casula Giovanni Andrea , Shoji Yuya , Takamura Yota , Mizumoto Tetsuya , Soltani Mohammad , Bowers John E.
Published: September 2022

Superconducting circuits can operate at higher energy efficiencies than their room-temperature counterparts and have the potential to enable large-scale control and readout of quantum computers. However, the required interface with room-temperature electronics creates difficulties in scaling up such cryogenic systems. One option is to use optical fibres as a medium in conjunction with fast optical modulators that can be efficiently driven by electrical signals at low temperatures. However, as superconducting circuits are current operated with low impedances, they interface poorly with conventional electro-optical modulators. Here we report an integrated current-driven modulator that is based on the magneto-optic effect and can operate at temperatures as low as 4 K. The device combines a magneto-optic garnet crystal with a silicon waveguide resonator and integrates an electromagnet to modulate the refractive index of the garnet. The modulator offers data rates of up to 2 Gbps with an energy consumption below 4 pJ per bit of transferred information, which could be reduced to less than 50 fJ per bit by replacing dissipative electrodes with superconductors and optimizing the geometric parameters.
Ectopic JAK–STAT activation enables the transition to a stem-like and multilineage state conferring AR-targeted therapy resistance
Authors: Deng Su , Wang Choushi , Wang Yunguan , Xu Yaru , Li Xiaoling , Johnson Nickolas A. , Mukherji Atreyi , Lo U-Ging , Xu Lingfan , Gonzalez Julisa , Metang Lauren A. , Ye Jianfeng , Tirado Carla Rodriguez , Rodarte Kathia , Zhou Yinglu , Xie Zhiqun , Arana Carlos , Annamalai Valli , Liu Xihui , Vander Griend Donald J. , Strand Douglas , Hsieh Jer-Tsong , Li Bo , Raj Ganesh , Wang Tao , Mu Ping
Published: September 2022

Emerging evidence indicates that various cancers can gain resistance to targeted therapies by acquiring lineage plasticity. Although various genomic and transcriptomic aberrations correlate with lineage plasticity, the molecular mechanisms enabling the acquisition of lineage plasticity have not been fully elucidated. We reveal that Janus kinase (JAK)–signal transducer and activator of transcription (STAT) signaling is a crucial executor in promoting lineage plasticity-driven androgen receptor (AR)-targeted therapy resistance in prostate cancer. Importantly, ectopic JAK–STAT activation is specifically required for the resistance of stem-like subclones expressing multilineage transcriptional programs but not subclones exclusively expressing the neuroendocrine-like lineage program. Both genetic and pharmaceutical inhibition of JAK–STAT signaling resensitizes resistant tumors to AR-targeted therapy. Together, these results suggest that JAK–STAT are compelling therapeutic targets for overcoming lineage plasticity-driven AR-targeted therapy resistance.
The effect of Gd-DOTA locations within PLGA-b-PEG micelle encapsulated IR-1061 on bimodal over-1000 nm near-infrared fluorescence and magnetic resonance imaging
Authors: Doan Thi Kim Dung , Umezawa Masakazu , Okubo Kyohei , Kamimura Masao , Yamaguchi Masayuki , Fujii Hirofumi , Soga Kohei
Published: September 2022

The influence of Gd-DOTA locations on the fate of imaging probe in vivo.
Fe(acac)2/TBHP-promoted synthesis of 11-functionalized dibenzodiazepines via alkoxycarbonylation and carboxamidation of o-isocyanodiaryl amines
Authors: Yuan Sitian , Liu Yi , Ni Mengjia , Hao Tianxin , Peng Yiyuan , Ding Qiuping
Published: September 2022

A radical addition/cyclization reaction of o-isocyanodiaryl amines has been developed for the efficient synthesis of potentially bioactive dibenzo[b,e][1,4]diazepine-11-carboxylates and dibenzo[b,e][1,4]diazepine-11-carboxamides.
Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers
Authors: Croitor Lilia , Coropceanu Eduard B. , Fonari Marina S.
Published: September 2022

The possibility to tune the metal–metal separations in a series of ten Cu(ii) 1D and 2D coordination polymers obtained from pyridine-n-oxime–dicarboxylic acid blends was followed and discussed.
Kinetics of the interfacial curing reaction for an epoxy–amine mixture
Authors: Yamaguchi Ko , Kawaguchi Daisuke , Miyata Noboru , Miyazaki Tsukasa , Aoki Hiroyuki , Yamamoto Satoru , Tanaka Keiji
Published: September 2022

A chemical reaction between epoxy and amine compounds at an outermost solid interface was studied by sum-frequency generation spectroscopy, X-ray and neutron reflectivity and a full atomistic molecular dynamics simulation.
Continuous oxyfunctionalizations catalyzed by unspecific peroxygenase
Authors: Meyer Lars-Erik , Fogtmann Hauge Bjørn , Müller Kvorning Thomas , De Santis Piera , Kara Selin
Published: September 2022

Unspecific peroxygenase (UPO) has been shown to be a promising biocatalyst for oxyfunctionalization of a broad range of substrates with hydrogen peroxide (H2O2) as the cosubstrate.
Fabrication of Fe3O4-incorporated MnO2nanoflowers as electrodes for enhanced asymmetric supercapacitor performance
Authors: Rabani Iqra , Younus Ayesha , Patil Supriya , Seo Young-Soo
Published: September 2022

Manganese dioxide (MnO2) is considered a promising aspirant for energy storage materials on account of its higher theoretical capacitance along with low capital cost.
Correction: Metal–organic-framework derived Co–Pd bond is preferred over Fe–Pd for reductive upgrading of furfural to tetrahydrofurfuryl alcohol
Authors: Pendem Saikiran , Bolla Srinivasa Rao , Morgan David J. , Shinde Digambar B. , Lai Zhiping , Nakka Lingaiah , Mondal John
Published: September 2022

Correction for ‘Metal–organic-framework derived Co–Pd bond is preferred over Fe–Pd for reductive upgrading of furfural to tetrahydrofurfuryl alcohol’ by Saikiran Pendem et al., Dalton Trans., 2019, 48, 8791–8802, https://doi.org/10.1039/C9DT01190K.
Wastewater research and surveillance: an ethical exploration
Authors: Doorn N.
Published: September 2022

This article provides an ethical exploration of wastewater research surveillance, incorporating insights from data ethics, public health ethics, research ethics, and environmental and water ethics.
Application of a combination of oxidants improves treatment performance for NOM and manganese
Authors: Chu X. , Agostino A. , Rao N. R. H. , Moradi S. , Bustamante H. , Power K. , Henderson R. K. , Leslie G. L.
Published: September 2022

Systematic evaluation of seven oxidant combinations for pre and post coagulation in direct filtration provides guidance on maximising NOM and manganese removal without increasing DBP formation.
Electrochemical reductive cross-coupling of acyl chlorides and sulfinic acids towards the synthesis of thioesters
Authors: Xu Jie , Lu Fangling , Sun Linghong , Huang Mingna , Jiang Jianwei , Wang Ke , Ouyang Dandan , Lu Lijun , Lei Aiwen
Published: September 2022

In this context, we used an electrochemical reduction method to obtain thiyl radicals from sulfinic acids. In a simple undivided cell, various acyl chlorides and sulfinic acids were compatible, generating 40 examples of the desired thioesters.
Unveiling the [3+2] cycloaddition between difluoromethyl diazomethane and 3-ylideneoxindole from the perspective of molecular electron density theory
Authors: Adjieufack Abel Idrice , Liégeois Vincent , Ndassa Mbouombouo Ibrahim , Domingo Luis Ramon , Champagne Benoît
Published: September 2022

Evolution of some key ELF basins along the IRC of the most favorableortho/endoreaction path.
ESI-MS reveals preferential complex formation of carbohydrates with Z-sinapinic acid compared with the E-isomer
Authors: De León Tobías Schmidt , Salum María Laura , Matsushita Yasuyuki , Fukushima Kazuhiko , Monge María Eugenia , Erra-Balsells Rosa
Published: September 2022

ZSA + carbohydrate complex preferential formation and higher stability (ESI) support the previously proposed model for ZSA differential efficiency as the MALDI-MS matrix.
Improving the performances of low concentration electrolytes via dual interfacial modification of the fluoroethylene carbonate solvent and lithium difluoro(oxalato)borate additive
Authors: Quan Yin , Gao Cankun , Wu Shumin , Zhao Dongni , Wang Jie , Li Chunlei , Li Shiyou
Published: September 2022

A cathode electrolyte interphase with abundant C–F in the outer layer and abundant LiF in the inner layer is formed.
Diffusion mixing with a volatile tertiary amine as a very efficient technique for 1,3-dipolar cycloaddition reactions proceeding via dehydrohalogenation of stable precursors of reactive dipoles
Authors: Shybanov Dmitry E. , Filkina Maria E. , Kukushkin Maxim E. , Grishin Yuri K. , Roznyatovsky Vitaly A. , Zyk Nikolai V. , Beloglazkina Elena K.
Published: September 2022

Spontaneous diffusion of tertiary amine vapors into a dipolarophile precursor solution is the simplest technique for nitrilylide and nitrilimine generation in 1,3-cycloaddition reactions.
Tuning ceria catalysts in aqueous media at the nanoscale: how do surface charge and surface defects determine peroxidase- and haloperoxidase-like reactivity
Authors: Pütz Eva , Smales Glen J. , Jegel Olga , Emmerling Franziska , Tremel Wolfgang
Published: September 2022

Surface area (SBET) and Ce3+/Ce4+ ratio of mesoporous CeO2−x nanoparticles are increased with synthesis time while and the ζ-potential decreases. This allows their selective use for haloperoxidase- and peroxidase-catalysis.
Protection of DNA by metal ions at 95 °C: from lower critical solution temperature (LCST) behavior to coordination-driven self-assembly
Authors: Lu Chang , Xu Yuancong , Huang Po-Jung Jimmy , Zandieh Mohamad , Wang Yihao , Zheng Jinkai , Liu Juewen
Published: September 2022

While polyvalent metal ions and heating can both degrade nucleic acids, we herein report that a combination of them leads to stabilization.
Supramolecular gold(i) vesicles: an in-depth study of their aggregation process
Authors: Pinto Andrea , Sonet Jaume , Gomila Rosa M. , Frontera Antonio , Lima João Carlos , Rodríguez Laura
Published: September 2022

The synthesis and aggregation behaviour of two gold(i) complexes containing a pyridyl ligand with a polyethyleneglycol pendant arm at one position and a chromophore (aniline or coumarin) at the second coordination position is herein reported.
Heterovalent chalcogen bonding: supramolecular assembly driven by the occurrence of a tellurium(ii)⋯Ch(i) (Ch = S, Se, Te) linkage
Authors: Torubaev Yury V. , Rozhkov Anton V. , Skabitsky Ivan V. , Gomila Rosa M. , Frontera Antonio , Kukushkin Vadim Yu.
Published: September 2022

The revealed heterovalent TeII⋯ChI (Ch = S, Se, Te) chalcogen bonding was used for targeted noncovalent integration of two Ch centers in different oxidation states.
Correction: Blade coated P3HT:non-fullerene acceptor solar cells: a high-throughput parameter study with a focus on up-scalability
Authors: Pascual-San-José Enrique , Rodríguez-Martínez Xabier , Adel-Abdelaleim Rana , Stella Marco , Martínez-Ferrero Eugenia , Campoy-Quiles Mariano
Published: September 2022

Correction for ‘Blade coated P3HT:non-fullerene acceptor solar cells: a high-throughput parameter study with a focus on up-scalability’ by Enrique Pascual-San-José et al., J. Mater. Chem. A, 2019, 7, 20369–20382, https://doi.org/10.1039/C9TA07361B.
Lowering the dimensionality of cationic lead bromide units in robust coordination polymers for enhanced self-trapped broadband emission
Authors: Jiang Yilin , Yin Jinlin , Fei Honghan
Published: September 2022

We report an organolead bromide hybrid consisting of 0D cationic bromoplumbate nodes that are connected by organocarboxylate linkers. The coordination structure affords both high chemical stability and enhanced structural strain for photoemission.
Krafttraining mit Kindern und Jugendlichen: Klimmzüge und vorgebeugtes Rudern
Authors: Zawieja Martin
Published: September 2022

In Ausgabe 01/22 hat Martin Zawieja die Kniebeuge als geeignete Übung für das Krafttraining mit Kindern und Jugendlichen vorgestellt. Jetzt folgen Klimmzüge und das vorgebeugte Rudern. Beide Übungen trainieren dasselbe Grundbewegungsmuster.
Schmerzmechanismen und Clinical Reasoning
Authors: Luomajoki Hannu , Schesser Ralf
Published: September 2022

Schmerz ist ein komplexes Konstrukt aus biologischen, psychologischen und sozialen Faktoren. Mit diesem CPTE-Artikel aktualisieren Sie Ihr Wissen um periphere und zentrale Schmerzmechanismen im Kontext des strukturierten Clinical-Reasoning-Prozesses. Das Mature Organism Model (MOM) verdeutlicht Ihnen die Individualität der Schmerzverarbeitung und -wahrnehmung. So verstehen Sie die individuelle Schmerzbewältigung einzelner Patient(inn)en und erkennen den Einfluss psychosozialer Faktoren. Das Fördern der Selbstwirksamkeit und ein reflektiertes Verhalten von Therapeut(inn)en sind zentrale Elemente der Therapie.
Acetábulo de metal trabeculado customizado na revisão de artroplastia total do quadril
Authors: Queiroz Roberto Dantas , Fingerhut David Jeronimo Peres , Saito Luiz Henrique
Published: September 2022

O seguinte relato de caso tem como objetivo demonstrar uma cirurgia de revisão de artroplastia total do quadril (RATQ) com o uso de componente acetabular customizado de metal trabeculado para correção de defeito acetabular severo. Atualmente, na literatura existem poucas descrições completas do planejamento e procedimentos cirúrgicos envolvendo próteses customizadas, tanto pela dificuldade técnica, inerente ao ato cirúrgico, quanto devido aos altos custos relacionados ao planejamento e materiais.
A Narrative Review on Fanconi Anemia: Genetic and Diagnostic Considerations
Authors: Sharma Preksha , Sharma Neha , Sharma Dhruva
Published: September 2022

Fanconi anemia (FA) is an autosomal recessive disorder, both genetically and phenotypically. It is characterized by chromosomal instability, progressive bone marrow failure, susceptibility to cancer, and various other congenital abnormalities. It involves all the three cell lines of blood. So far, biallelic mutations in 21 genes and one x-linked gene have been detected and found to be associated with FA phenotype. Signs and symptoms start setting in by the age of 4 to 7 years, mainly hematological symptoms. This includes pancytopenia, that is, a reduction in the number of white blood cells (WBCs), red blood cells (RBCs), and platelets. Therefore, the main criteria for diagnosis of FA include skeletal malformations, pancytopenia, hyperpigmentation, short stature, urogenital abnormalities, central nervous system, auditory, renal, ocular, and familial occurrence. Patients showing signs and symptoms of FA should be thoroughly evaluated. A complete blood count will reveal a reduced number of RBC, WBC, and platelets, that is, pancytopenia. Chromosomal breakage study/stress cytogenetics should be done in patients with severe pancytopenia. Momentousness timely diagnosis of current disease, prenatal diagnosis, and genetic counseling should be emphasized.
Evolving Knowledge on Primary and Secondary Prevention of Venous Thromboembolism in Carriers of Hereditary Thrombophilia: A Narrative Review
Authors: Campello Elena , Prandoni Paolo
Published: September 2022

The association between heritability of venous thromboembolism (VTE) and thrombophilia was first reported clinically in 1956, later followed by the first description of a congenital cause of hypercoagulability—antithrombin deficiency—in 1965. Since then, our knowledge of hereditary causes of hypercoagulability, which may predispose carriers to VTE has improved greatly. Novel genetic defects responsible for severe thrombophilia have been recently identified and we have learned that a wide range of interactions between thrombophilia and other genetic and acquired risk factors are important determinants of the overall individual risk of developing VTE. Furthermore, therapeutic strategies in thrombophilic patients have benefited significantly from the introduction of direct oral anticoagulants. The present review is an overview of the current knowledge on the mechanisms underlying inherited thrombophilia, with a particular focus on the latest achievements in anticoagulation protocols and prevention strategies for thrombosis in carriers of this prothrombotic condition.
Computational fluid dynamics characterization of the hollow-cone atomization: Newtonian and non-Newtonian spray comparison
Authors: Di Martino Massimiliano , Ahirwal Deepak , Maffettone Pier Luca
Published: September 2022

Disintegration of liquid masses in a free-surface flow is still an open question in the field of small-scale spray applications such as dispensing of detergents or sanitizing products. In this context, the pressure-swirl atomizer is widely investigated. It allows to improve several spray characteristics through the formation and breakup of a conical liquid sheet that results in the well-known hollow-cone atomization. From this perspective, the characterization of a small-scale pressure-swirl spray under laminar flow conditions is the focus of this work. The configuration of the device and the physical properties of the discharged liquid are the key parameters that modify the attributes of such multiscale flow. In this regard, the entire picture of the fragmentation process is structured into multiple stages: internal nozzle flow, outer displacement of the liquid–gas interface, droplet spread into the atmosphere, and droplet-wall interactions on a collection surface. Through the computational fluid dynamics, we analyze the influence of the main fluid/packaging parameters on the hollow-cone spray properties, and on the whole atomization process. Reynolds and Ohnesorge numbers are coupled with the Sauter mean diameter to distinguish different breakup mechanisms and spray performances. The solution of the entire spray system is performed by implementing the volume-of-fluid-to-discrete-phase-model, which allows to capture the liquid–gas interface displacement and track the droplets produced downstream the primary atomization, simultaneously. With this Eulerian–Lagrangian hybrid model, we link key features of the hollow-cone spray process to spray pattern and droplet size distribution for both Newtonian and non-Newtonian fluid properties.
Wall-attached and wall-detached eddies in proper orthogonal decomposition modes of a turbulent channel flow
Authors: Wang Long-Wei , Pan Chong , Wang Jin-Jun
Published: September 2022

To comprehensively understand the geometric and kinematic characteristics of inertial coherent motions that conform to the attached-eddy model, proper orthogonal decomposition (POD) is applied to volumetric streamwise fluctuating velocity fields in a turbulent channel flow with Reτ=2003 being resolved by direct numerical simulation. Wall-attached POD eddies (WAPEs) or wall-detached POD eddies (WDPEs) are identified from all of the POD eigenmodes by the wall-attached or wall-detached conditions, respectively. These POD eddies can be regarded as statistical structures that make independent energy contributions. WAPEs with a wide range of scale hierarchies are found to be self-similar in both geometries and kinematics. The generalized logarithmic law of high-even-order moments contributed by self-similar WAPEs further indicates their Gaussian-like behavior. These results suggest that WAPEs are the prime statistical representatives of attached eddies. In contrast, the scale distribution of WDPEs across a wide range of flow layers is invariant and their geometric shapes are self-similar over a wide range of length scales, but the kinematic self-similarity of WDPEs is not evident.
A new compact active turbulence generator for premixed combustion: Non-reacting flow characteristics
Authors: Mohammadnejad Sajjad , Saca Leslie , Kheirkhah Sina
Published: September 2022

A new compact active turbulence generator is developed, tested, and characterized, which extends the capabilities of such generators used in turbulent premixed combustion research. The generator is composed of two blades that resemble the shape of two bow-ties. Hot-wire anemometry and high-speed imaging are performed to characterize the non-reacting flow produced by the generator and the blades dynamics, respectively. Two mean bulk flow velocities of 5.0 and 7.0 m/s are examined. For comparison purposes, in addition to the developed generator, tests are also performed for a free jet as well as one and two perforated plates. The results show that the centerline root mean square velocity fluctuations can become as large as 1.8 m/s. For the newly developed device, the power-law decay of the one-dimensional kinetic energy is −1.0 and −1.3 for the mean bulk flow velocities of 5.0 and 7.0 m/s, respectively. The normalized energy dissipation rate is relatively small for the newly developed device, while the energy dissipation rate is relatively large. The spectral analysis of the velocity data does not show dominant frequencies equal to the blades rotation frequencies, and the one dimensional kinetic energy and dissipation spectra follow −5/3 and 1/3 power-law relations, respectively. It is shown that the small eddies produced by the newly developed device dissipate the turbulent kinetic energy faster than those corresponding to the rest of the tested turbulence generators.
Unconfined propeller scour in waterways: The role of flow intensity
Authors: Ferraro D. , Lauria A. , Penna N. , Gaudio R.
Published: September 2022

Flow intensity represents an important input to be investigated in the ship propeller jet scouring process in ship maneuvering areas, waterways path, and mooring in navigation channels. Although the still water condition is not realistic, since it induces modifications in the canonical propeller jet scouring process in waterways, several studies were based on this assumption and only a few papers focused on the influence of the flow intensity are present in the technical literature. In this work, an experimental campaign aimed at exploring the flow intensity effects on the propeller jet and related scour was carried out. In particular, three flow intensities combined with different propeller submergence depths were tested. The experimental results are shown in terms of longitudinal and cross-sectional scoured bed profiles, and empirical equations to compute the main scour hole dimensions are proposed. Moreover, scour hole bathymetries were analyzed by spectral analysis to estimate characteristics length scales. In order to increase the detail on the fluid mechanics analysis to explain the influence of the flow intensity on the evolution of the scour hole and obtain an insight into the influence of the boundary effect on the flow field, Reynolds-Averaged Navier–Stokes simulations were performed over the three-dimensional scoured bathymetry, acquired at the equilibrium stage, and over the horizontal boundary, representing the earliest stages of the scouring process. The good agreement between the numerical results and the measured velocities at the equilibrium stage allowed also the simulations over a flat bed in the same hydraulic conditions. These represent the beginning of the scour process in the case in which the propeller blades are close to the bottom. As to the authors' knowledge, the last configurations were never simulated before, owing to the difficulties in managing the computation of a moving mesh close to a solid boundary. The results show, for the first time numerically, the plane boundary effects on the characteristics of propeller jets with and without an incoming flow.
Bilateral trade and politico-administrative border relations in Africa: an analysis of the case of Nigeria and Benin Republic
Authors: Omeh Paul Hezekiah , Abada Ifeanyichukwu Michael , Onah Celestine Chijioke , Anozie Ngozika Josephine , Amujiri Benjamin
Published: September 2022

Bilateral formal trade relations between Nigeria and the Republic of Benin have increased significantly in the last 10 years. There has also been an increase in the smuggling of contraband goods due to the porous borders. This briefing explores the nexus between bilateral trade and politico-administrative border relations between the two countries. It interrogates the character of the border relations and consequences for the political economy of trade. The briefing highlights that border politics drive formal and informal trade relations. It also highlights other drivers of illegal activities in the border areas, including the cultural affinity between inhabitants living within the contiguous borders, and compromised government officials.
First-principles study on high-pressure phases and compression properties of gold-bearing intermetallic compounds
Authors: Li Bingtan , Liu Hanyu , Liu Guangtao , Chen Kaiguo
Published: September 2022

Compared to elemental gold (Au), Au-based alloys have attracted wide attention for their economy and superior performance stemming from their distinctive physicochemical properties. The study of the structural characterization for alloy materials remains one of the fundamental issues associated with their future applications essentially. In this work, we theoretically explore some typical intermetallic compounds of Au-based alloys under high pressure, which has been an effective means to generate intriguing crystal configurations with unexpected behaviors. Our ab initio simulations find that Fd-3m-AuRb, Fd-3m-AuBa, and Fd-3m-AuLa become stable above ∼10 GPa, and Pmmn-AuAl becomes stable above ∼20 GPa. Further investigations of their compression behaviors reveal that the bulk moduli of Au-based alloys can be greatly reduced by combining alkali and alkaline earth metals. The present results have unraveled the high-pressure phases of Au-bearing compounds and provide insights for exploring their important compressibility that is strongly relevant to the containing non-Au elements.
Toward quantitative wall shear stress measurements: a comparative study on the impact of RGB-to-hue conversion algorithms on liquid crystal diagnostics
Authors: Melekidis Stefanos , Elfner Maximilian Rolf , Bauer Hans-Jörg
Published: September 2022

Liquid crystal diagnostics is a capable tool for determining quantitative wall shear stress distributions with high spatial resolution, which can be applied to almost any surface shape. A standard consumer camera is typically used to record the scattered light of the liquid crystals as red, green, and blue RGB data. This RGB data has to be converted to a hue-based color space in order to perform a state-of-the-art calibration procedure. Algorithms for this purpose are numerous in the literature. However, a considerable number of them show a wide range of resulting hue values due to different trigonometric relations. This renders some conversion algorithms unsuitable for calculating physical wall shear stresses, as their magnitude and distribution depend on the conversion algorithm used. For this reason, the choice of an inappropriate conversion algorithm may compromise the measurement accuracy and subsequent comparability significantly. The main objective of this paper is to give recommendations for the use of appropriate algorithms to determine physical wall shear stresses. In a first step, synthetic liquid crystal data is converted using algorithms described in the literature. The preselected algorithms are then applied to liquid crystal data from a flat plate wind tunnel experiment to illustrate their influence on the determined uncalibrated wall shear stress distribution. The final discussion serves as guidelines for the post-processing of liquid crystal data and their subsequent comparability.
2D imaging of absolute methyl concentrations in nanosecond pulsed plasma by photo-fragmentation laser-induced fluorescence
Authors: van den Bekerom Dirk , Richards Caleb , Huang Erxiong , Adamovich Igor , Frank Jonathan H
Published: September 2022

The methyl radical plays a central role in plasma-assisted hydrocarbon chemistry but is challenging to detect due to its high reactivity and strongly pre-dissociative electronically excited states. We report the development of a photo-fragmentation laser-induced fluorescence (PF-LIF) diagnostic for quantitative 2D imaging of methyl profiles in a plasma. This technique provides temporally and spatially resolved measurements of local methyl distributions, including in near-surface regions that are important for plasma-surface interactions such as plasma-assisted catalysis. The technique relies on photo-dissociation of methyl by the fifth harmonic of a Nd:YAG laser at 212.8 nm to produce CH fragments. These photofragments are then detected with LIF imaging by exciting a transition in the B-X(0, 0) band of CH with a second laser at 390 nm. Fluorescence from the overlapping A-X(0, 0), A-X(1, 1), and B-X(0, 1) bands of CH is detected near 430 nm with the A-state populated by collisional B-A electronic energy transfer. This non-resonant detection scheme enables interrogation close to a surface. The PF-LIF diagnostic is calibrated by producing a known amount of methyl through photo-dissociation of acetone vapor in a calibration gas mixture. We demonstrate PF-LIF imaging of methyl production in methane-containing nanosecond pulsed plasmas impinging on dielectric surfaces. Absolute calibration of the diagnostic is demonstrated in a diffuse, plane-to-plane discharge. Measured profiles show a relatively uniform distribution of up to 30 ppm of methyl. Relative methyl measurements in a filamentary plane-to-plane discharge and a plasma jet reveal highly localized intense production of methyl. The utility of the PF-LIF technique is further demonstrated by combining methyl measurements with formaldehyde LIF imaging to capture spatiotemporal correlations between methyl and formaldehyde, which is an important intermediate species in plasma-assisted oxidative coupling of methane.
Direct coupling-induced pseudoparity nonconservation scattering: bipolar spin diode and unipolar spin entanglement pairing
Authors: Li Mengyao , Bu Ning , Hu Jingguo , Tao Yongchun , Fu Hao , Wang Jun
Published: September 2022

The zigzag graphene nanoribbon (ZR) is characterized by the distinct pseudoparity combined with valley-selection rule, which could feature exotic transport phenomena, especially in ZR-based superconducting spintronic devices. However, the ZR with superconductivity induced by proximity of a bulk superconductor (SC) on it still keeps original band properties. Herein, we present a superconducting heterostructure with an SC directly coupling to two ZRs, which is characteristic of pseudoparity-mixing, resulting in pseudoparity nonconservation elastic cotunneling (EC) and crossed Andreev reflection (CAR) processes. It is shown that the mixing leads to the switch effect of the EC and CAR processes manipulated by the SC length, particularly the full spin polarization. In the context of only one magnetized ZR lead, a novel bipolar spin diode behavior on a scale of small SC length and unipolar spin entanglement pairing at some large SC lengths, are both exhibited on a large scale of forward and/or reverse bias voltages. More importantly, the spin-diode can be combined with the quantum spin Hall (QSH) insulator to provide smoking gun evidence for the helical spin texture of the (QSH) insulator, which is still lacking.
Periodic and chaotic oscillations in mutual-coupled mid-infrared quantum cascade lasers
Authors: Jia Zhi-Wei , Li Li , Guo Yi-Yan , Wang An-Bang , Han Hong , Zhang Jin-Chuan , Li Pu , Zhai Shen-Qiang , Liu Feng-Qi
Published: September 2022

Dynamic states in mutual-coupled mid-infrared quantum cascade lasers (QCLs) were numerically investigated in the parameter space of injection strength and detuning frequency based on the Lang–Kobayashi equations model. Three types of period-one states were found, with different periods of injection time delay τ
inj, 2τ
inj, and reciprocal of the detuning frequency. Besides, square-wave, quasi-period, pulse-burst and chaotic oscillations were also observed. It is concluded that external-cavity periodic dynamics and optical modes beating are the mainly periodic dynamics. The interaction of the two periodic dynamics and the high-frequency dynamics stimulated by strong injection induces the dynamic states evolution. This work helps to understand the dynamic behaviors in QCLs and shows a new way to mid-infrared wide-band chaotic laser.
Quantum color image scaling based on bilinear interpolation
Authors: Gao Chao , Zhou Ri-Gui , Li Xin
Published: September 2022

As a part of quantum image processing, quantum image scaling is a significant technology for the development of quantum computation. At present, most of the quantum image scaling schemes are based on grayscale images, with relatively little processing for color images. This paper proposes a quantum color image scaling scheme based on bilinear interpolation, which realizes the 2
n
1
× 2
n
2
quantum color image scaling. Firstly, the improved novel quantum representation of color digital images (INCQI) is employed to represent a 2
n
1
× 2
n
2
quantum color image, and the bilinear interpolation method for calculating pixel values of the interpolated image is presented. Then the quantum color image scaling-up and scaling-down circuits are designed by utilizing a series of quantum modules, and the complexity of the circuits is analyzed. Finally, the experimental simulation results of MATLAB based on the classical computer are given. The ultimate results demonstrate that the complexities of the scaling-up and scaling-down schemes are quadratic and linear, respectively, which are much lower than the cubic function and exponential function of other bilinear interpolation schemes.
Adjusting amplitude of the stored optical solitons by inter-dot tunneling coupling in triple quantum dot molecules
Authors: Wang Yin , Zhou Si-Jie , Deng Yong-He , Chen Qiao
Published: September 2022

We study the propagation properties of a probe field in an aligned asymmetric triple quantum dot molecule with both sides inter-dot tunneling coupling effect. It is shown that the probe field can form optical soliton due to the destructive quantum interference induced by the quantum inter-dot tunneling coupling effect. Interestingly, these optical solitons can be stored and retrieved by adjusting single or double inter-dot tunneling coupling effect, different from that light memory in the ultra-cold atom system. Furthermore, we also find that the amplitude of the stored optical soliton can be adjusted by the strength of the single or double inter-dot tunneling coupling. It is possible to improve the stability and the fidelity of the optical information in the process of the storage and retrieval in semiconductor quantum dots devices.
A cladding-pumping based power-scaled noise-like and dissipative soliton pulse fiber laser
Authors: Lv Zhiguo , Teng Hao , Wei Zhiyi
Published: September 2022

We report a high-average-power noise-like pulse (NLP) and dissipative soliton (DS) pulse fiber laser. Average power as high as 4.8 W could be obtained at the fundamental mode-locked repetition rate. The NLP can also be transformed into a more powerful DS mode-locking state by optimizing the polarization and losses of intra-cavity pulses in the nonlinear polarization evolution regime. The operation mode between the NLP and DS can be switched, and the laser output performance in both modes has been studied. The main advantage of this work is switchable high-power operation between the NLP and DS. In comparison with conventional single-mode NLP fiber lasers, the multi-function high-power optical source will greatly push its application in supercontinuum generation, coherence tomography, and industrial processing.
Operational classical mechanics: holonomic systems
Authors: Bermúdez Manjarres A D
Published: September 2022

We construct an operational formulation of classical mechanics without presupposing previous results from analytical mechanics. In doing so, we rediscover several results from analytical mechanics from an entirely new perspective. We start by expressing the position and velocity of point particles as the eigenvalues of self-adjoint operators acting on a suitable Hilbert space. The concept of holonomic constraint is shown to be equivalent to a restriction to a linear subspace of the free Hilbert space. The principal results we obtain are: (1) the Lagrange equations of motion are derived without the use of D’Alembert or Hamilton principles, (2) the constraining forces are obtained without the use of Lagrange multipliers, (3) the passage from a position–velocity to a position–momentum description of the movement is done without the use of a Legendre transformation, (4) the Koopman–von Neumann theory is obtained as a result of our ab initio operational approach, (5) previous work on the Schwinger action principle for classical systems is generalized to include holonomic constraints.
Defining, capturing, and validating pharmacists’ patient profile reviews in the electronic medical record
Authors: Smith Adam , Begnoche Brendan , Mellett John , Hafford Amanda , Rodis Jennifer L , Jordan Trisha A
Published: September 2022

Purpose

To describe the implementation and validation of a novel patient profile review tool in the electronic medical record (EMR) at an academic medical center.

Pharmacy leaders at The Ohio State University Wexner Medical Center aspired to develop a data-driven approach to clinical pharmacy services. The initial phase of this vision highlighted a need to define the clinical activities of a pharmacist and leverage use of the EMR to seamlessly capture data. A comprehensive list of clinical activities was developed and analyzed to determine which activities were currently uncaptured. Patient profile review was prioritized and determined to be variable among staff and undefined. A profile review tool was developed and implemented across the medical center while requiring minimal additional documentation through the EMR. Phase II determined what user audit trail data in the EMR were automatically recorded based on performing various levels of pharmacist-recorded profile review and validated the consistency in utilization of this tool. The information gathered as a result of this study identified interactions within the patient chart that matched profile reviews that were not captured during manual documentation. The department of pharmacy will utilize the data generated from this tool to better make decisions and build a comprehensive clinical productivity model.

Conclusion

The implementation of a pharmacist patient profile review tool built within the EMR successfully defined, stratified, validated time spent on, and captured a clinical activity.