bluuebunny/crossref_metadata_2025 huggingface dataset:
Multiple Primary Bilateral Cerebral Echinococcosis in an Adult: A Neurological Rarity
Authors: Garg Manish , Sarma Pragyan , Chaturvedi Sujata , Pant Ishita
Published: October 2022

Although cases of intracranial hydatid cysts are commonly encountered, majority of them are secondary and are seen in children. Primary bilateral multiple intracranial hydatid cysts in adults are a neurological rarity. Intracranial involvement usually occurs following infestation of the other organs in the body by the pathogen. Multiple lesions in brain can manifest either following rupture of a single parent cyst in brain or by systemic dissemination from other organs. Here, we are presenting an adult patient who underwent successful surgical removal of multiple primary hydatid cysts of brain. A 47-year-old male patient presented with features of raised intracranial pressure and other focal deficits. Magnetic resonance imaging showed multiple cystic lesions on both sides of the cerebrum. Similar primary lesions elsewhere in the body were ruled out by other investigations. He underwent successful surgical removal of all the lesions. Intraoperative picture and histology were suggestive of hydatid cyst. In published literature, there are very few cases similar to ours. Echinococcosis should be considered as a differential diagnosis in multiple cystic lesions of the brain in endemic areas. Early diagnosis, proper surgical technique, and standard antihelminthic drug regimen are the key to achieve good outcome in these patients.
Pediatric Cervical Spine Injuries
Authors: Yadav Awdhesh , Singh Aneeta , Verma Rajat , Singh Vijay K. , Ojha Bal K. , Chandra Anil , Srivastava Chhitij
Published: October 2022

Objective Pediatric cervical spine injuries are rare and account for 1 to 2% of all pediatric spine injuries. There is a paucity of data on pediatric cervical spine injuries in developing countries like India. The purpose of this study is to review and analyze our 5 years of experience with pediatric cervical spine injuries.

Methods All the available medical records over the 5 years were reviewed retrospectively. The data was analyzed to know the epidemiology, mechanism of injury, injury patterns, management, and outcome. The patients were divided into two groups: 0 to 9 years and 10 to 18 years.

Results Seventy-five eligible records were included in our study. The incidence of cervical spine injuries was significantly lower in younger children than the older ones (p < 0.042). The most common mechanism of injury was fall from height: 33 (44%) patients followed by road traffic accidents: 27 (36%) patients. The involvement of the upper cervical spine was significantly higher in younger children (p < 0.001). Fractures with subluxation were the most common pattern of injury, observed in 35 (47%) patients. However, fractures with subluxation were uncommon in younger children compared with older children (p < 0.04). Spinal cord injury without radiographic abnormality (SCIWORA) was observed in 42% of younger children compared with 8% of older children (p < 0.02). Thirty (40%) patients were managed surgically; anterior cervical corpectomy with fusion was the most commonly performed procedure in 19 (63%) patients. The overall mortality was 20%.

Conclusion The results of our study revealed predominant involvement of the upper cervical spine in children younger than 10 years of age. SCIWORA was documented in both the age groups with a significantly higher incidence in younger children. The instrumentation and fusion techniques in children are safe; however, developing pediatric spine needs special considerations.
Computational study of the effect of grain boundary and nano-porosity on xenon behavior in UO2
Authors: Zamzamian Seyed Mehrdad , Kowsar Zahra , Zolfaghari Ahmadreza
Published: October 2022

Since xenon (Xe) production is always an unavoidable part of the fission products in fuel pellets, the challenges of its presence have always been the subject of many papers. In line with these goals, in the present paper, the effect of the presence of grain boundaries (GBs) with misorientations (θGB) of 36°, 39°, 52°, 53°, 71°, and 129° in 10%Xe-UO2 (uranium dioxide in which 10% of its uranium atoms have been replaced by xenon atoms) on the behavior of xenon (diffusion, nucleation, and formation of clusters) was investigated by performing molecular dynamics (MD) simulations. The results showed that xenon atoms aggregate in the GB with misorientations of 36° and 53° and form larger clusters relative to other GBs. This was interpreted due to the low formation energy of these two GBs in comparison with other misorientations. A decrease in the number of xenon atoms was also observed at a slight distance from these two GB regions, indicating their sink efficiency. The calculation of diffusion coefficients also indicated that the presence of these two GBs increases the coefficients (xenon, oxygen, and uranium). All of these demonstrate the effective role of θGB=36° and θGB=53° in swelling. To reduce the destructive effect of xenon atoms on the fuel pellet, a conceptual design in the form of nanoporous was proposed. The results of the MD simulation of such a design showed that the presence of nano-porosity significantly reduces xenon clusters.
Flexible polymeric tail for micro robot drag reduction bioinspired by the nature microorganisms
Authors: Heyat Davoudian Salar , Javadi Khodayar
Published: October 2022

In nature, most microorganisms have flexible micro/nanostructure tails, which help them create propulsion, reduce drag, or search for food. Previous studies investigated these flexible structures mostly from the propulsion creation perspective. However, the drag reduction and the underlying physical mechanisms of such tails are less known. This scientific gap is more significant when multi-polymeric/hierarchical structures are used. To fill the gap, we use the dissipative particle dynamics (DPD) method as a powerful fluid–polymer interaction technique to study the flexible tails' influences on drag reduction. Note that the flow regime for these microorganisms is in the range of laminar low Reynolds number; hence, the effects of both pressure and viscous drag forces are crucial. On the other hand, in the DPD method, only the total drag force is obtained. Therefore, this paper first proposes a way to determine the contribution of viscous and pressure drags and then investigates their effects on the body of the micro-robot separately. As a bioinspired-templated micro-robot simulation, the flow over a circular cylinder with an attached flexible tail is investigated. The problem is carried out for the Reynolds numbers from 10 to 25 for different polymer lengths (single/multi) and hierarchical structure tails. Our results show that long polymer tails strongly affect pressure drag, such that the longer polymeric tails (single/multi), the more drag reduction, particularly the pressure drag. Moreover, the hierarchical structures (containing short and long tails) caused the total drag reduction mainly by decreasing the viscous drag rather than the pressure one.
Unification of Perdew–Zunger self-interaction correction, DFT+U, and Rung 3.5 density functionals
Authors: Janesko Benjamin G.
Published: October 2022

This Communication presents a unified derivation of three different approximations used in density functional theory (DFT): the Perdew–Zunger self-interaction correction (PZSIC), the Hubbard correction DFT+U, and the Rung 3.5 density functionals. All three approximations can be derived by introducing electron self-interaction into the Kohn–Sham (KS) reference system of noninteracting electrons. The derivation uses the Adiabatic Projection formalism: one projects the electron–electron interaction operator onto certain states, introduces the projected operator into the reference system, and defines a density functional for the remainder. Projecting onto individual localized KS orbitals recovers our previous derivation of the PZSIC [B. G. Janesko, J. Phys. Chem. Lett. 13, 5698–5702 (2022)]. Projecting onto localized atom-centered orbitals recovers a variant of DFT+U. Projecting onto localized states at each point in space recovers Rung 3.5 approaches. New results include an “atomic state PZSIC” that does not require localizing the KS orbitals, a demonstration that typical Hubbard U parameters reproduce a scaled-down PZSIC, and a Rung 3.5 variant of DFT+U that does not require choosing atom-dependent states.
Aerosol suppression from a handpiece using viscoelastic solution in confined dental office
Authors: Kim Yong Il , An Seongpil , Huh Jungwoo , Kim Yang-Soo , Heo Jihye , Song In-Seok , Yarin Alexander L. , Yoon Sam S.
Published: October 2022

Aerosolized droplets are produced en masse in dental practices; these aerosols disperse in the surrounding space, posing a health threat if the patient is infected with a transmittable disease, particularly COVID-19. Here, a viscoelastic polyacrylic acid (PAA) solution was used to minimize liquid aerosolization and limit the travel distance of aerosols. The PAA concentration was varied to evaluate its effect on aerosolization and droplet size resulting from procedures using dental handpieces, which include tooth cutting, grinding, and polishing. In addition, a thermocouple was inserted at the center of the model tooth to measure its temperature during a handpiece operation. The temperature data suggest that the cooling performance of the PAA solution is comparable to that of pure water in operations in the occlusal and facial directions. The PAA solution droplets splattered on the patient's facial area during the handpiece operation are markedly larger than those of pure water, which is evidence of the settling of the PAA droplets, preventing further transmission. Accordingly, the travel distance of the aerosolized PAA droplets was limited by viscoelastic resistance to droplet detachment. This comparison of the aerosol suppression capability between water and PAA solutions confirms the benefit of using viscoelastic solutions for various dental operations.
A multi-junction-based near-field solar thermophotovoltaic system with a graphite intermediate structure
Authors: Song Jaeman , Choi Minwoo , Yang Zhimin , Lee Jungchul , Lee Bong Jae
Published: October 2022

A solar thermophotovoltaic (STPV) system can transform incident concentrated solar energy into electrical energy with an efficiency that could be higher than the Shockley–Queisser limit. Near-field thermophotovoltaic (NF-TPV) devices can generate larger electrical power output than traditional far-field TPV devices with the aid of photon tunneling. Moreover, multi-junction PV cells can boost the performance of TPV devices by effectively distributing the absorbed photon energy inside the PV cell. In this work, we design a multi-junction-based near-field STPV system with a practical and high-temperature stable graphite intermediate structure. To optimize the system configuration, we employ a genetic algorithm and a surrogate model based on an artificial neural network, which enables us to suggest a better design approach for the multi-junction-based NF-STPV system between the power output density and power conversion efficiency maximization scenarios. When the concentration factor of the incident solar energy is 5000 and the absorber-to-emitter area ratio is 3, we can achieve a system efficiency of 23%. By introducing a material whose emissivity is as high as a blackbody on the solar absorber, the system efficiency can be further enhanced up to 35%.
Numerical investigation of subcooled flow boiling in an inclined rectangular mini-channel at a low flow rate
Authors: Chen Yu-Jie , Song Ge-Ge , Ling Kong , Yu Bo , Sun Dongliang , Lu Wei , Tao Wen-Quan
Published: October 2022

Under a low flow rate, gravity may become prominent for bubble behavior and heat transfer of flowing boiling because of the weakness of drag force from liquid, and its effect changes with the inclination angle of the mini-channel but without consensus. In this paper, based on a reasonable nucleus site density model and considering conjugate heat transfer, the coupled volume-of-fluid and level set method is adopted to study the subcooled flow boiling in an inclined three-dimensional rectangular mini-channel (0°–180°) with a characteristic size of 1.0 mm at a low flow rate of 88.8 kg m−2 s−1. The inclination angle is found to have a slight effect on the flow boiling, which is different from the conclusion drawn based on the traditional-macro channel. A bubbly flow appears when a heat flux of 300 kW/m2 is added. An unconventional impact force is proposed, which presses large bubbles to slip along the heating wall, with slight differences in the flow pattern under different inclination angles. When the inclination angle is close to 0°, the upstream small/medium bubbles leave the heating wall under gravitational effects, which is conducive to heat transfer. As the inclination angle approaches 90°, gravity pushes the large bubbles downstream to leave the channel, favoring the rewetting of the dry patches below. These two positive effects fail as the inclination angle approaches 180°, leading to slightly worse overall heat exchange efficiency. However, the maximum differences in the average and local wall superheating of the mini-channel are only 8.4% and 22.5%, respectively, across the range of inclination angles because the flow pattern remains similar under the effect of the impact force. In addition, the effect of inclination angle on flow boiling becomes weaker with the increase in heat flux because of happening of slug flow.
Joint experimental and theoretical study on electron scattering from titanium tetrachloride (TiCl4) molecule
Authors: Tańska Natalia , Randi Pedro A. S. , Stefanowska-Tur Sylwia , Moreira Giseli M. , Ptasińska-Denga Elżbieta , Bettega Márcio H. F. , Szmytkowski Czesław , Możejko Paweł
Published: October 2022

Absolute grand-total cross section for electron scattering from titanium tetrachloride, TiCl4, molecule was measured at electron-impact energies ranging from 0.3 to 300 eV, in the linear electron-transmission experiment. The elastic integral, differential, momentum transfer, and total ionization cross sections for TiCl4 molecule were also calculated for low and intermediate collisional energies at the level of various theories. The low-energy elastic integral, differential, and momentum transfer cross sections were calculated with the Schwinger multichannel method implemented with pseudopotentials, in the static-exchange and static-exchange plus polarization levels of approximation, for energies up to 30 eV. The integral cross section calculated for low-energy electron scattering with the R-matrix method within the static-exchange and static-exchange plus polarization approximations for energies up to 15 eV are also reported. By the inspection of the cross sections, the presence of resonances is discussed. In particular, the calculated integral cross sections and the measured total cross section display a minimum at around 1 eV, which is consistent with the presence of a Ramsauer–Townsend minimum and a sharp increase at low energies, which is consistent with the presence of a virtual state. Additionally, interactions in elastic and ionization channels for intermediate collision energies were investigated with the additivity rule and the binary-encounter-Bethe methods.
Time-resolved spectroscopic mapping of vibrational energy flow in proteins: Understanding thermal diffusion at the nanoscale
Authors: Mizutani Yasuhisa , Mizuno Misao
Published: October 2022

Vibrational energy exchange between various degrees of freedom is critical to barrier-crossing processes in proteins. Hemeproteins are well suited for studying vibrational energy exchange in proteins because the heme group is an efficient photothermal converter. The released energy by heme following photoexcitation shows migration in a protein moiety on a picosecond timescale, which is observed using time-resolved ultraviolet resonance Raman spectroscopy. The anti-Stokes ultraviolet resonance Raman intensity of a tryptophan residue is an excellent probe for the vibrational energy in proteins, allowing the mapping of energy flow with the spatial resolution of a single amino acid residue. This Perspective provides an overview of studies on vibrational energy flow in proteins, including future perspectives for both methodologies and applications.
Encapsulation of locally welded silver nanowire with water-free ALD-SbOx for flexible thin-film transistors
Authors: Yang Jun , Bahrami Amin , Ding Xingwei , Lehmann Sebastian , Nielsch Kornelius
Published: October 2022

Transparent conductive electrodes are essential in the application of flexible electronics. In this work, we successfully demonstrated a novel strategy for improving mechanical/electrical properties of indium tin oxide (ITO)-free flexible silver nanowire (Ag NW) thin films. To reduce the contact resistance of Ag NWs, an ethanol-mist was used to weld the cross junction of wires at room temperature. The nano-welded Ag NWs (W-Ag NWs) were then coated with an aluminum-doped ZnO (AZO) solution, which significantly reduce the roughness of the Ag NW thin film. Finally, an ultrathin SbOx thin film of 2 nm was deposited on the film surface using a water-free low-temperature atomic layer deposition technique to protect the W-Ag NW/AZO layer from water or oxygen degradation. The treated Ag NWs have a high transmittance of 87% and a low sheet resistance of about 15 Ω/sq, which is comparable with the ITO electrode's property. After 1000 cycles of bending testing, the W-Ag NW/AZO/SbOx film practically retains its initial conductivity. Furthermore, the samples were immersed in a solution with pH values ranging from 3 to 13 for 5 min. When compared to untreated Ag NWs or those coated with AlOx thin films, W-Ag NW/AZO/SbOx had superior electrical stability. The W-Ag NW/AZO/SbOxlayer was integrated as a gate electrode on low-power operating flexible Ti-ZnO thin film transistors (TFTs). The 5% Ti-ZnO TFT has a field-effect mobility of 19.7 cm2 V s−1, an Ion/Ioff ratio of 107, and a subthreshold swing of 147 mV decade−1.
Parametric study of the Giesekus fluid flow in a curved duct with square cross section
Authors: Guo Shihan , Si Xinhui
Published: October 2022

In this paper, the log-conformation representation method (LCR) is applied in an orthogonal curvilinear coordinate system to study the Giesekus fluid flow in a curved duct. Derivations for evolution equations of LCR in this curvilinear coordinate system are presented. Secondary flow patterns and oscillation solutions are computed by using the collocation spectral method. The influence of a wide range of Dean number, Weissenberg number, and dimensionless mobility parameter α on fluid behaviors is studied. A six-cell secondary flow pattern is found under very low Dean number and relatively high Weissenberg number and α. Moreover, both Weissenberg number and α are able to facilitate the development of the secondary flow. In addition, simulations under critical Reynolds number for oscillation imply that Giesekus fluid flow with We≥0.1 is not able to retain a four-cell secondary flow pattern in a steady state, which is different from Newtonian fluids.
A modified wall-adapting local eddy-viscosity model for large-eddy simulation of compressible wall-bounded flow
Authors: Qi Han , Li Xinliang , Yu Changping
Published: October 2022

The wall-adapting local eddy-viscosity (WALE) model in large-eddy simulation can well predict wall-bounded flows but it is also well known for excessive dissipation. In this study, we apply the minimum-dissipation model to constrain the WALE model in compressible flows and obtain the coefficient of the WALE model. Through this process, the dissipation of WALE model can be lower while it still maintains strong stability. In the modified WALE model, the isotropic part of the subgrid-scale (SGS) stress is also reconstructed. In the filtered total energy equation, all of the extra SGS unclosed terms (besides SGS stress and SGS heat flux) are modeled instead of neglecting some SGS terms, such as the SGS viscous diffusion. The modified WALE model is tested in a compressible turbulent channel flow and a supersonic turbulent boundary layer over a compression corner. The new model can well predict the mean velocity, the mean temperature, the Reynolds stress, and the separation bubble.
Understanding the lithiation limits of high-capacity organic battery anodes by atomic charge derivative analysis
Authors: Carvalho Rodrigo P. , Marchiori Cleber F. N. , Brandell Daniel , Araujo C. Moyses
Published: October 2022

The superlithiation of organic anodes is a promising approach for developing the next generation of sustainable Li-ion batteries with high capacity. However, the lack of fundamental understanding hinders its faster development. Here, a systematic study of the lithiation processes in a set of dicarboxylate-based materials is carried out within the density functional theory formalism. It is demonstrated that a combined analysis of the Li insertion reaction thermodynamics and the conjugated-moiety charge derivative enables establishing the experimentally observed maximum storage, thus allowing an assessment of the structure–function relationships also.
Tangentially driven active polar linear polymers—An analytical study
Authors: Philipps Christian A. , Gompper Gerhard , Winkler Roland G.
Published: October 2022

The conformational and dynamical properties of isolated flexible active polar linear polymers (APLPs) are studied analytically. The APLPs are modeled as Gaussian bead-spring linear chains augmented by tangential active forces, both in a discrete and continuous representation. The polar forces lead to linear non-Hermitian equations of motion, which are solved by an eigenfunction expansion in terms of a biorthogonal basis set. Our calculations show that the polymer conformations are independent of activity. However, tangential propulsion strongly impacts the polymer dynamics and yields an active ballistic regime as well as an activity-enhanced long-time diffusive regime, which are both absent in passive systems. The polar forces imply a coupling of modes in the eigenfunction representation, in particular with the translational mode, with a respective strong influence on the polymer dynamics. The total polymer mean-square displacement on scales smaller than the radius of gyration is determined by the active internal dynamics rather than the collective center-of-mass motion, in contrast to active Brownian polymers at large Péclet numbers, reflecting the distinct difference in the propulsion mechanism.
Manipulating the variation of polarization during propagation along arbitrary circular trajectory of the Poincaré sphere
Authors: Wang Wen-Yue , Guo Ji-Xiang , Liu Shuo , Lü Jia-Qi , Lu Zhi-Wei
Published: October 2022

The spatial structure of polarization in the vector optical beam provides an additional degree of freedom to manipulate light and control the light–matter interaction. The manipulation of polarization in the propagation (longitudinal) direction opens new ways to enrich the vector optical beam, which also faces the problems of monotony at present. Here, we demonstrate an amplitude-phase-polarization joint modulation method to accurately control the variation of localized polarization during propagation, mapping arbitrary circular trajectory on the Poincaré sphere. In addition, a dual-mode vector optical beam has been generated, which realizes the cascading of independent variations of polarization in different longitudinal ranges.
Impacts of polarizable continuum models on the SCF convergence and DFT delocalization error of large molecules
Authors: Ren Fangning , Liu Fang
Published: October 2022

Advances in algorithm developments have enabled density functional theory (DFT) description of large molecules, including whole proteins, but the self-consistent field (SCF) convergence issues often hamper practical applications. The conductor-like polarizable continuum model (CPCM), although initially introduced as an implicit solvent model, was reported to improve SCF convergence in some large molecules. However, the underlying mechanisms and applicable use cases were unclear. We investigated the impacts of CPCM on the SCF convergence of 25 peptides and found that the CPCM only effectively reduced the SCF iterations for molecules with charge separations (e.g., the zwitterionic form of peptides) but had little effect on non-charge-separated molecules. We observed that CPCM increased the HOMO–LUMO gap of both the zwitterionic and non-charge-separated molecules, but only the charge-separated molecules suffered from the vanishing HOMO–LUMO gap problem in the gas phase, which is the origin of the convergence issue. We revealed CPCM’s gap-opening mechanism as the selective stabilization/destabilization of molecular orbitals (MOs) based on their local electrostatic environment. Compared to level-shifting, a traditional SCF improvement technique, CPCM has superior performance because the stabilization/destabilization of MOs is consistent through SCF iterations. Finally, we examined CPCM’s impacts on DFT density delocalization error (DDE) when used as an SCF accelerator. CPCM can mitigate the DDE and reproduce the density-derived properties (e.g., dipole moments) matching high-level methods when a very low dielectric constant is used but tends to over-localize the electron density at higher dielectric constants.
Three-step colloidal gelation revealed by time-resolved x-ray photon correlation spectroscopy
Authors: Jain Avni , Schulz Florian , Dallari Francesco , Markmann Verena , Westermeier Fabian , Zhang Yugang , Grübel Gerhard , Lehmkühler Felix
Published: October 2022

The gelation of PEGylated gold nanoparticles dispersed in a glycerol–water mixture is probed in situ by x-ray photon correlation spectroscopy. Following the evolution of structure and dynamics over 104 s, a three-step gelation process is found. First, a simultaneous increase of the Ornstein–Zernike length ξ and slowdown of dynamics is characterized by an anomalous q-dependence of the relaxation times of τ ∝ q−6 and strongly stretched intermediate scattering functions. After the structure of the gel network has been established, evidenced by a constant ξ, the dynamics show aging during the second gelation step accompanied by a change toward ballistic dynamics with τ ∝ q−1 and compressed correlation functions. In the third step, aging continues after the arrest of particle motion. Our observations further suggest that gelation is characterized by stress release as evidenced by anisotropic dynamics once gelation sets in.
Aspect ratio and combined installation in fluidic oscillator-crossflow interactions
Authors: Ayeni Oludamola P. , Cleton Bjorn
Published: October 2022

This paper describes a computational study of fluidic oscillator-crossflow interactions. Fluidic oscillators are high potential active flow control devices, which offer promise for cooling and flow separation. Previous experimental studies have investigated the internal/external flow fields of fluidic oscillators. This improved the understanding of three-dimensional flow fields; however, this has been limited to single aspect ratio nozzles in single variable installations. Research has not analyzed the effects of varying both oscillator parameters and installation conditions. Therefore, the present aim is to enhance flow field understanding by examining three aspect ratio (AR) nozzles in default perpendicular condition and in a “skewed incline” configuration (β = 60°, α = 75°). An unsteady Reynolds averaged Navier Stokes model was validated with prior experimental data and then used to evaluate time-averaged and time-accurate flow fields at three different blowing ratios. Strouhal number analysis uncovers the effectiveness of parametric changes. Internal flow fields are presented, identifying key differences and similarities. External flow field analysis in regard to spreading angles 55°–65° observes greater wall-normal penetration for lower AR oscillators with improved spanwise penetration for larger AR's. The combined installation produces stronger primary vortices, improving penetration along the wall, while inclination keeps vortices close to the wall. Oscillator effectiveness is dependent on the application.
Influence of calcium on the toxicity of saline solutions to the mayfly,
Authors: Nanjappa Vinitha , Vink Sue , Dunlop Jason , Krosch Matt N. , Mann Reinier
Published: October 2022

Context Although calcium may provide a means to reduce toxicity of saline waters, the relationship between them is not well understood. Aim To investigate whether increasing calcium may result in a proportional reduction in toxicity. Methods Acute toxicity tests were conducted using an artificial mine-affected water (AMW) and the same AMW with increased calcium on the mayfly species, Austrophlebioides sp. AV11. Results Results demonstrated that there was a reduction in toxicity when calcium concentration (added as both calcium chloride and calcium sulfate together) was increased by both two-fold (+143 mg L−1) and four-fold (+272 mg L−1) compared with the AMW test solution (161 mg L−1). A further increase by up to eight-fold (+718 mg L−1) did not substantially change the toxicity of the AMW solution. Conclusion The toxicity did not reduce when calcium chloride and calcium sulfate salts were used independently. This study suggests that adding calcium (as calcium chloride and calcium sulfate) to a saline solution reduces toxicity upto a maximum threshold, beyond which no further benefit is achieved. Implications Increased calcium can have diminishing effect on toxicity or reach a maximum threshold beyond which no further reduction in toxicity is achieved. Improved understanding of this relationship is needed to inform the management of saline mine waters.
Unconventional localization of electrons inside of a nematic electronic phase
Authors: Farrar Liam S. , Zajicek Zachary , Morfoot Archie B. , Bristow Matthew , Humphries Oliver S. , Haghighirad Amir A. , McCollam Alix , Bending Simon J. , Coldea Amalia I.
Published: October 2022

The magnetotransport behavior inside the nematic phase of bulk FeSe reveals unusual multiband effects that cannot be reconciled with a simple two-band approximation proposed by surface-sensitive spectroscopic probes. In order to understand the role played by the multiband electronic structure and the degree of two-dimensionality, we have investigated the electronic properties of exfoliated flakes of FeSe by reducing their thickness. Based on magnetotransport and Hall resistivity measurements, we assess the mobility spectrum that suggests an unusual asymmetry between the mobilities of the electrons and holes, with the electron carriers becoming localized inside the nematic phase. Quantum oscillations in magnetic fields up to 38 T indicate the presence of a hole-like quasiparticle with a lighter effective mass and a quantum scattering time three times shorter, as compared with bulk FeSe. The observed localization of negative charge carriers by reducing dimensionality can be driven by orbitally dependent correlation effects, enhanced interband spin fluctuations, or a Lifshitz-like transition, which affect mainly the electron bands. The electronic localization leads to a fragile two-dimensional superconductivity in thin flakes of FeSe, in contrast to the two-dimensional high-

T
c

induced with electron doping via dosing or using a suitable interface.
TGM2-mediated histone transglutamination is dictated by steric accessibility
Authors: Lukasak Bradley J. , Mitchener Michelle M. , Kong Lingchun , Dul Barbara E. , Lazarus Cole D. , Ramakrishnan Aarthi , Ni Jizhi , Shen Li , Maze Ian , Muir Tom W.
Published: October 2022

Recent studies have identified serotonylation of glutamine-5 on histone H3 (H3Q5ser) as a novel posttranslational modification (PTM) associated with active transcription. While H3Q5ser is known to be installed by tissue transglutaminase 2 (TGM2), the substrate characteristics affecting deposition of the mark, at the level of both chromatin and individual nucleosomes, remain poorly understood. Here, we show that histone serotonylation is excluded from constitutive heterochromatic regions in mammalian cells. Biochemical studies reveal that the formation of higher-order chromatin structures associated with heterochromatin impose a steric barrier that is refractory to TGM2-mediated histone monoaminylation. A series of structure-activity relationship studies, including the use of DNA–barcoded nucleosome libraries, shows that steric hindrance also steers TGM2 activity at the nucleosome level, restricting monoaminylation to accessible sites within histone tails. Collectively, our data indicate that the activity of TGM2 on chromatin is dictated by substrate accessibility rather than by primary sequence determinants or by the existence of preexisting PTMs, as is the case for many other histone-modifying enzymes.
Controlling inversion disorder in a stoichiometric spinel magnet
Authors: Dronova Margarita G. , Ye Feng , Cooper Scott E. , Krishnadas Anjana , Hoffmann Christina M. , Fujisawa Yuita , Okada Yoshinori , Khomskii Daniel I. , Feng Yejun
Published: October 2022

In the study of frustrated quantum magnets, it is essential to be able to control the nature and degree of site disorder during the growth process, as many measurement techniques are incapable of distinguishing between site disorder and frustration-induced spin disorder. Pyrochlore-structured spinel oxides can serve as model systems of geometrically frustrated three-dimensional quantum magnets; however, the nature of the magnetism in one well-studied spinel, ZnFe
2
O
4
, remains unclear. Here, we demonstrate simultaneous control of both stoichiometry and inversion disorder in the growth of ZnFe
2
O
4
single crystals, directly yielding a revised understanding of both the collective spin behavior and lattice symmetry. Crystals grown in the stoichiometric limit with minimal site inversion disorder contravene all the previously suggested exotic spin phases in ZnFe
2
O
4
. Furthermore, the structure is confirmed on the

F

4
¯

3
m

space group with broken inversion symmetry that induces antiferroelectricity. The effective tuning of magnetic behavior by site disorder in the presence of robust antiferroelectricity makes ZnFe
2
O
4
of special interest to multiferroic devices.
Targeting breast and pancreatic cancer metastasis using a dual-cadherin antibody
Authors: Micalizzi Douglas S. , Che Dante , Nicholson Benjamin T. , Edd Jon F. , Desai Niyati , Lang Evan R. , Toner Mehmet , Maheswaran Shyamala , Ting David T. , Haber Daniel A.
Published: October 2022

The successful application of antibody-based therapeutics in either primary or metastatic cancer depends upon the selection of rare cell surface epitopes that distinguish cancer cells from surrounding normal epithelial cells. By contrast, as circulating tumor cells (CTCs) transit through the bloodstream, they are surrounded by hematopoietic cells with dramatically distinct cell surface proteins, greatly expanding the number of targetable epitopes. Here, we show that an antibody (23C6) against cadherin proteins effectively suppresses blood-borne metastasis in mouse isogenic and xenograft models of triple negative breast and pancreatic cancers. The 23C6 antibody is remarkable in that it recognizes both the epithelial E-cadherin (CDH1) and mesenchymal OB-cadherin (CDH11), thus overcoming considerable heterogeneity across tumor cells. Despite its efficacy against single cells in circulation, the antibody does not suppress primary tumor formation, nor does it elicit detectable toxicity in normal epithelial organs, where cadherins may be engaged within intercellular junctions and hence inaccessible for antibody binding. Antibody-mediated suppression of metastasis is comparable in matched immunocompetent and immunodeficient mouse models. Together, these studies raise the possibility of antibody targeting CTCs within the vasculature, thereby suppressing blood-borne metastasis.
Exploring canyons in glassy energy landscapes using metadynamics
Authors: Thirumalaiswamy Amruthesh , Riggleman Robert A. , Crocker John C.
Published: October 2022

The complex physics of glass-forming systems is controlled by the structure of the low-energy portions of their potential energy landscapes. Here we report that a modified metadynamics algorithm efficiently explores and samples low-energy regions of such high-dimensional landscapes. In the energy landscape for a model foam, our algorithm finds and descends meandering canyons in the landscape, which contain dense clusters of energy minima along their floors. Similar canyon structures in the energy landscapes of two model glass formers—hard sphere fluids and the Kob–Andersen glass—allow us to reach high densities and low energies, respectively. In the hard sphere system, fluid configurations are found to form continuous regions that cover the canyon floors up to densities well above the jamming transition. For the Kob–Andersen glass former, our technique samples low-energy states with modest computational effort, with the lowest energies found approaching the predicted Kauzmann limit.
Temporal scaling of human scalp-recorded potentials
Authors: Hassall Cameron D. , Harley Jack , Kolling Nils , Hunt Laurence T.
Published: October 2022

Much of human behavior is governed by common processes that unfold over varying timescales. Standard event-related potential analysis assumes fixed-duration responses relative to experimental events. However, recent single-unit recordings in animals have revealed neural activity scales to span different durations during behaviors demanding flexible timing. Here, we employed a general linear modeling approach using a combination of fixed-duration and variable-duration regressors to unmix fixed-time and scaled-time components in human magneto-/electroencephalography (M/EEG) data. We use this to reveal consistent temporal scaling of human scalp–recorded potentials across four independent electroencephalogram (EEG) datasets, including interval perception, production, prediction, and value-based decision making. Between-trial variation in the temporally scaled response predicts between-trial variation in subject reaction times, demonstrating the relevance of this temporally scaled signal for temporal variation in behavior. Our results provide a general approach for studying flexibly timed behavior in the human brain.
Lack of evidence for participation of TMEM150C in sensory mechanotransduction
Authors: Ojeda-Alonso Julia , Bégay Valérie , Garcia-Contreras Jonathan Alexis , Campos-Pérez Andrea Fernanda , Purfürst Bettina , Lewin Gary R.
Published: October 2022

The membrane protein TMEM150C has been proposed to form a mechanosensitive ion channel that is required for normal proprioceptor function. Here, we examined whether expression of TMEM150C in neuroblastoma cells lacking Piezo1 is associated with the appearance of mechanosensitive currents. Using three different modes of mechanical stimuli, indentation, membrane stretch, and substrate deflection, we could not evoke mechanosensitive currents in cells expressing TMEM150C. We next asked if TMEM150C is necessary for the normal mechanosensitivity of cutaneous sensory neurons. We used an available mouse model in which the Tmem150c locus was disrupted through the insertion of a LacZ cassette with a splice acceptor that should lead to transcript truncation. Analysis of these mice indicated that ablation of the Tmem150c gene was not complete in sensory neurons of the dorsal root ganglia (DRG). Using a CRISPR/Cas9 strategy, we made a second mouse model in which a large part of the Tmem150c gene was deleted and established that these Tmem150c−/− mice completely lack TMEM150C protein in the DRGs. We used an ex vivo skin nerve preparation to characterize the mechanosenstivity of mechanoreceptors and nociceptors in the glabrous skin of the Tmem150c−/− mice. We found no quantitative alterations in the physiological properties of any type of cutaneous sensory fiber in Tmem150c−/− mice. Since it has been claimed that TMEM150C is required for normal proprioceptor function, we made a quantitative analysis of locomotion in Tmem150c−/− mice. Here again, we found no indication that there was altered gait in Tmem150c−/− mice compared to wild-type controls. In summary, we conclude that existing mouse models that have been used to investigate TMEM150C function in vivo are problematic. Furthermore, we could find no evidence that TMEM150C forms a mechanosensitive channel or that it is necessary for the normal mechanosensitivity of cutaneous sensory neurons.
Space-borne atom interferometric gravitational wave detections. Part III. Eccentricity on dark sirens
Authors: Yang Tao , Cai Rong-Gen , Lee Hyung Mok
Published: October 2022

Eccentricity of the inspiraling compact binaries can greatly improve the distance inference and source localization of dark sirens. In this paper, we continue the research for the space-borne atom interferometric gravitational-wave detector AEDGE and investigate the effects of eccentricity on the dark sirens observed by AEDGE in the mid-band. We simulate five types of typical compact binaries with component mass ranging from 1-100 M⊙. The largest improvement for both distance inference and localization can be as much as 1.5–3 orders of magnitude. We then construct the catalogs of dark sirens observed by AEDGE in five years. We find eccentricity is crucial to the detection of golden binary black holes (BBH) whose host galaxy can be uniquely identified. With only 5–10 golden dark BBHs one can obtain a 2 percent precision measurement ofH0which is sufficient to arbitrate the Hubble tension. Regardless of eccentricity, AEDGE can also observe tens of golden binary neutron stars (BNS) and neutron star-black hole binaries (NSBH) with unique host galaxies. These golden dark sirens can serve as early warnings for the follow-up observations of gravitational waves in the high frequency band as well as the search of their electromagnetic counterparts. Our results show eccentricity is a crucial factor in the detection, data analysis, and application of GWs with the atom interferometers in the mid-band.
Skyrmion-based logic gates controlled by electric currents in synthetic antiferromagnet
Authors: Li Linlin , Luo Jia , Xia Jing , Zhou Yan , Liu Xiaoxi , Zhao Guoping
Published: October 2022

Skyrmions in synthetic antiferromagnetic (SAF) systems have attracted much attention in recent years due to their superior stability, high-speed mobility, and completely compensated skyrmion Hall effect. They are promising building blocks for the next generation of magnetic storage and computing devices with ultra-low energy and ultra-high density. Here, we theoretically investigate the motion of a skyrmion in an SAF bilayer racetrack and find the velocity of a skyrmion can be controlled jointly by the edge effect and the driving force induced by the spin current. Furthermore, we propose a logic gate that can realize different logic functions of logic AND, OR, NOT, NAND, NOR, and XOR gates. Several effects including the spin–orbit torque, the skyrmion Hall effect, skyrmion–skyrmion repulsion, and skyrmion–edge interaction are considered in this design. Our work may provide a way to utilize the SAF skyrmion as a versatile information carrier for future energy-efficient logic gates.
Phase-matching quantum key distribution with imperfect sources
Authors: Zhang Xiao-Xu , Lu Yi-Fei , Wang Yang , Jiang Mu-Sheng , Li Hong-Wei , Zhou Chun , Zhou Yu , Bao Wan-Su
Published: October 2022

The huge discrepancies between actual devices and theoretical assumptions severely threaten the security of quantum key distribution. Recently, a general new framework called the reference technique has attracted wide attention in defending against the imperfect sources of quantum key distribution. Here, the state preparation flaws, the side channels of mode dependencies, the Trojan horse attacks, and the pulse classical correlations are studied by using the reference technique on the phase-matching protocol. Our simulation results highlight the importance of the actual secure parameters choice for transmitters, which is necessary to achieve secure communication. Increasing the single actual secure parameter will reduce the secure key rate. However, as long as the parameters are set properly, the secure key rate is still high. Considering the influences of multiple actual secure parameters will significantly reduce the secure key rate. These actual secure parameters must be considered when scientists calibrate transmitters. This work is an important step towards the practical and secure implementation of phase-matching protocol. In the future, it is essential to study the main parameters, find out their maximum and general values, classify the multiple parameters as the same parameter, and give countermeasures.
Energetic particle loss mechanisms in reactor-scale equilibria close to quasisymmetry
Authors: Paul E.J. , Bhattacharjee A. , Landreman M. , Alex D. , Velasco J.L. , Nies R.
Published: October 2022

Collisionless physics primarily determines the transport of fusion-born alpha particles in 3D equilibria. Several transport mechanisms have been implicated in stellarator configurations, including stochastic diffusion due to class transitions, ripple trapping, and banana drift-convective orbits. Given the guiding center dynamics in a set of six quasihelical and quasiaxisymmetric equilibria, we perform a classification of trapping states and transport mechanisms. In addition to banana drift convection and ripple transport, we observe substantial non-conservation of the parallel adiabatic invariant which can cause losses through diffusive banana tip motion. Furthermore, many lost trajectories undergo transitions between trapping classes on longer time scales, either with periodic or irregular behavior. We discuss possible optimization strategies for each of the relevant transport mechanisms. We perform a comparison between fast ion losses and metrics for the prevalence of mechanisms such as banana-drift convection (Velasco et al 2021 Nucl. Fusion
61 116059), transitioning orbits, and wide orbit widths. Quasihelical configurations are found to have natural protection against ripple-trapping and diffusive banana tip motion leading to a reduction in prompt losses.
Exergoeconomic analysis of potential magnet configurations of a magnetic refrigerator operating at 4.2 K
Authors: López de Toledo C.H. , López J.M. , Rodriguez L.G.-T.
Published: October 2022

This article compares the exergetic cost of cooling of an Adiabatic Demagnetization Refrigerator (ADR) providing 1 W of refrigeration at 4.2 K, with two different magnetic field sources: a Nb3Sn superconducting (SC) magnet and a NdFeB permanent magnet (PM) Halbach cylinder. The total cost of the system is assumed to be comprised of two components: the cost of the magnetocaloric material (MCM), which is a function of the total volume of the MCM, and the cost of the magnetic system, which depends on the MCM volume and the peak magnetic field. The exergetic cost of cooling for different values of mass (volume) of MCM and hot source temperatures are shown in the article, assuming a specific cost of the SC wire of 890$/kg, 3500$/kg for the MCM, and 100$/kg for the PM. The SC appear to be the most cost-effective solution for the system. However, if large temperatures spans are required between the hot source and the cold source PMs emerge as a better option.