bluuebunny/crossref_metadata_2025 huggingface dataset:
Influence of different kinetic heating mechanisms on the dynamics of a trapped Brownian particle in a complex plasma
Authors: Vaulina O. S. , Lisina I. I. , Lisin E. A.
Published: November 2022

Combined effect of random forces of different origins and electrostatic confinement on the dynamics of a charged Brownian particle in a plasma is investigated. Analytical equations for the effective kinetic temperature, mean square displacement (MSD), mass transfer, and velocity autocorrelation functions (VAF) of a free and trapped microparticle under the action of two random forces governed by Gaussian and Ornstein–Uhlenbeck processes are derived. The results obtained are considered on examples of solitary passive microparticles with fluctuating charges due to the discrete charging process or inhomogeneity of the surrounding plasma, active light-absorbing particles with rotational fluctuations, and strongly coupled systems with nonreciprocal interparticle interactions. The applicability of the Langevin equations with a thermal noise temperature above the ambient gas temperature to model the dynamics of dust particles in a complex plasma is discussed. It is shown that, under certain conditions, the well-known Uhlenbeck–Ornstein–Wang equations for the MSD and VAF fail to describe the oscillations of both a solitary particle and a particle in a strongly coupled monolayer system suspended in a gas discharge.
Direct measurement of band offsets on selective area grown In0.53Ga0.47As/InP heterojunction with multiple probe scanning tunneling microscopy
Authors: Peric Nemanja , Durand Corentin , Berthe Maxime , Lu Yan , N'Konou Kekeli , Coratger Roland , Lefebvre Isabelle , Ebert Philipp , Biadala Louis , Desplanque Ludovic , Wallart Xavier , Grandidier B.
Published: November 2022

The knowledge of the band alignment in semiconductor heterostructures is crucial, as it governs carrier confinement with many impacts on the performances of devices. By controlling the direction of the current flow in in-plane In0.53Ga0.47As/InP heterostructure nanowires, either horizontally along the nanowires or vertically into the InP substrate with low temperature multiple-probe tunneling spectroscopy, a direct measurement of the band offsets at the buried In0.53Ga0.47As/InP heterointerface is performed. Despite the unavoidable processing steps involved in selective area epitaxy, conduction and valence band offsets of 0.21 ± 0.01 and 0.40 ± 0.01 eV are, respectively, found, indicating the formation of an interface with a quality comparable to two-dimensional In0.53Ga0.47As/InP heterostructures.
Universal rotation gauge via quantum anomalous Hall effect
Authors: Shuvaev Alexey , Pan Lei , Tai Lixuan , Zhang Peng , Wang Kang L. , Pimenov Andrei
Published: November 2022

Integer quantum Hall effect allows to gauge the resistance standard up to more than one part in a billion. Combining it with the speed of light, one obtains the fine-structure constant α ≈ 1/137, a dimensionless reference number that can be extracted from a physical experiment. Most exact notion of this value and especially its possible variation on the cosmological time scales is of enormous relevance for fundamental science. In an optical experiment, the fine-structure constant can be directly obtained as purely geometrical angle by measuring the quantized rotation of light polarization in two-dimensional quantum wells. In realistic conditions, high external magnetic fields have to be applied, which strongly affects possible attainable accuracy. An elegant solution of this problem is provided by quantum anomalous Hall effect where a universal quantized value can be obtained in zero magnetic field. Here, we measure the fine-structure constant in a direct optical experiment that requires no material adjustments or technical calibrations. By investigating the Faraday rotation at the interference maxima of the dielectric substrate, the angle close to one α is obtained at liquid helium temperatures without using a dilution refrigerator. Such calibration and parameter-free experiment provides a system-of-unit-independent access to universal quantum of rotation.
Evaluation of self-absorption effect of He I resonance line by measurement of forbidden emission in helium arc jet plasma
Authors: Shigesada Ryo , Islam Md. Anwarul , Kawazome Hayato , Okuda Kosuke , Sunada Yuta , Yanagi Ohshi , Sumino Masato , Hatta Kazuho , Tamura Naoki , Yamasaki Kotaro , Kawata Jun , Namba Shinichi
Published: November 2022

We have proposed a new method to estimate the optical escape factor (OEF) in high-density helium (He) plasma. Plasma with an electron temperature of ca. 3 eV and density of 5 × 1013 cm−3 was generated by a cascaded arc discharge and rapidly cooled by the introduction of additional He gas, which resulted in a transition from ionizing to recombining plasma. With an increase in the gas pressure, the plasma became optically thick, and the He I forbidden line (spin-exchange intercombination line, 1 1S-2 3P: 59.1 nm) with resonance lines were simultaneously observed using a vacuum ultraviolet spectrometer. Comparison of the intensity ratio of the He I 58.4 nm resonance line to the forbidden emission with those by determined from the collisional-radiative model considering the self-absorption enabled the successful estimation of the OEF. The OEF was decreased with the ambient He gas pressure and was 6.6 × 10−4 and 3.5 × 10−5 for He gas pressures of 1.59 and 20.22 Pa, respectively.
A unique piezolyte mechanism of TMAO: Hydrophobic interactions under extreme pressure conditions
Authors: Folberth Angelina , van der Vegt Nico F. A.
Published: November 2022

We report a computer simulation study of the effect of trimethylamine N-oxide (TMAO) on the pressure stability of the hydrophobic contact interaction of two nonpolar α-helices. We found that TMAO counterbalanced the disruptive effect of pressure destabilization on account of an earlier reported electronic polarization effect that led to an increased TMAO dipole moment under compression of the solvent. This direct stabilization mechanism became ineffective when the dipole polarization of TMAO was not considered and was linked to nonspecific van der Waals interactions of TMAO with the nonpolar surfaces of the two helices, which became weaker as TMAO became stronger polarized at high pressure. The corresponding thermodynamic driving forces are discussed and should be generic for hydrophobic interactions under high pressure. The proposed mechanism suggests that TMAO stands out as a piezolyte among stabilizing osmolytes, potentially protecting biological assemblies formed by hydrophobic interactions under extreme pressure conditions.
Elucidation of vibronic structure and dynamics of first eight excited electronic states of pentafluorobenzene
Authors: Kanakati Arun Kumar , Rani Vadala Jhansi , Sarkar Rudraditya , Mahapatra S.
Published: November 2022

Vibronic coupling in the first eight electronic excited states of Pentafluorobenzene (PFBz) is investigated in this article. In particular, the vibronic coupling between the optically bright ππ* and optically dark πσ* states of PFBz is considered. A model 8 × 8 diabatic Hamiltonian is constructed in terms of normal coordinate of vibrational modes using the standard vibronic coupling theory and symmetry selection rule. The Hamiltonian parameters are estimated with the aid of extensive ab initio quantum chemistry calculations. The topography of the first eight electronic excited states of PFBz is examined at length, and multiple multi-state conical intersections are established. The nuclear dynamics calculations on the coupled electronic surfaces are carried out from first principles by the wave packet propagation method. Theoretical results are found to be in good accord with the available experimental optical absorption spectrum of PFBz.
Influence of the N-representability conditions on the variational determination of two-electron reduced density matrices for ground and excited N-electron states in the doubly occupied configuration interaction space
Authors: Corvalan Dario A. , Oña Ofelia B. , Alcoba Diego R. , Torre Alicia , Lain Luis , Massaccesi Gustavo E.
Published: November 2022

In this work, we analyze the effectiveness of different sets of well-known necessary N-representability conditions that are imposed on the variational determination of two-electron reduced density matrices corresponding to the ground and excited states of N-electron Hamiltonians within doubly occupied configuration interaction subspaces. The two-electron reduced density matrix elements are determined so that they are suitably related to those of higher-order reduced density matrices and other associated matrices, up to a given order, constituting positive semidefinite matrices. These conditions up to two-, three-, and four-order have been sequentially imposed on the variational calculation of the expectation values of the dispersion operator corresponding to several Hamiltonian models, obtaining the electronic spectra. These results have been contrasted with those arising from the full configuration interaction method, illuminating the sufficiency/insufficiency of the variational N-representability conditions applied.
Complexes++: Efficient and versatile coarse-grained simulations of protein complexes and their dense solutions
Authors: Linke Max , Quoika Patrick K. , Bramas Berenger , Köfinger Jürgen , Hummer Gerhard
Published: November 2022

The interior of living cells is densely filled with proteins and their complexes, which perform multitudes of biological functions. We use coarse-grained simulations to reach the system sizes and time scales needed to study protein complexes and their dense solutions and to interpret experiments. To take full advantage of coarse-graining, the models have to be efficiently implemented in simulation engines that are easy to use, modify, and extend. Here, we introduce the Complexes++ simulation software to simulate a residue-level coarse-grained model for proteins and their complexes, applying a Markov chain Monte Carlo engine to sample configurations. We designed a parallelization scheme for the energy evaluation capable of simulating both dilute and dense systems efficiently. Additionally, we designed the software toolbox pycomplexes to easily set up complex topologies of multi-protein complexes and their solutions in different thermodynamic ensembles and in replica-exchange simulations, to grow flexible polypeptide structures connecting ordered protein domains, and to automatically visualize structural ensembles. Complexes++ simulations can easily be modified and they can be used for efficient explorations of different simulation systems and settings. Thus, the Complexes++ software is well suited for the integration of experimental data and for method development.
Local thermodynamic consistency for integral equations describing single-component fluids
Authors: Carbajal-Tinoco Mauricio D.
Published: November 2022

A new closure approximation is presented here, and it is based on two thermodynamic relations, namely, a particular case of a local expression together with a global thermodynamic condition. The results obtained from this local approximation are compared with thermodynamic and structural properties determined by using well-established closure approximations as well as numerical simulations for different kinds of interaction potentials. In terms of numerical simulations, the new closure delivers results similar to and sometimes better than the well-known closure relations that are specialized in certain types of interactions.
Inertio-gravity Poincaré waves and the quantum relativistic Klein–Gordon equation, near-inertial waves and the non-relativistic Schrödinger equation
Authors: Heifetz E. , Maas Leo R. M. , Mak J. , Pomerantz I.
Published: November 2022

Shallow water inertio-gravity Poincaré waves in a rotating frame satisfy the Klein–Gordon equation, originally derived for relativistic, spinless quantum particles. Here, we compare these two superficially unrelated phenomena, suggesting a reason for them sharing the same equation. We discuss their energy conservation laws and the equivalency between the non-relativistic limit of the Klein–Gordon equation, yielding the Schrödinger equation, and the near-inertial wave limit in the shallow water system.
Post collision analyzer to study charge-exchange processes in ion-molecule collisions
Authors: Srivastav Sumit , Bapat Bhas
Published: November 2022

We have designed an electrostatic charge state analyzer for ion beams having energies in the range of 5–20 keV/q. It is primarily built to investigate the different ionization processes involved in the slow (v < 1 a.u.) impact of highly charged ions on molecules. The analyzer is a cylindrical deflector analyzer (CDA) based on a pair of concentric cylindrical sectors of radii 110.2 and 95 mm, subtending an angle of 127° at its center. Additionally, an Einzel lens and a quadrupole deflector are deployed to focus and steer the ion beam. The compact design of the analyzer permits easy integration with an ion momentum spectrometer used for studying the fragmentation of the target molecules. The characterization of the CDA including its calibration and its transmission function is carried out using an ion beam delivered from an electron beam ion source. To check the performance of the setup, we have carried out experiments comprising the impact of Ar16+ projectiles on CO2 target molecules at an energy of 18 keV/q. With the help of the CDA, different charge exchange ionization processes, such as single capture, double capture, and triple capture of electrons by the projectile ion have been separated efficiently. The possibility of a modification in the geometry of CDA is discussed to further improve its performance.
Three-dimensional printed liquid diodes with tunable velocity: Design guidelines and applications for liquid collection and transport
Authors: Sammartino Camilla , Rennick Michael , Kusumaatmaja Halim , Pinchasik Bat-El
Published: November 2022

Directional and self-propelled flow in open channels has a variety of applications, including microfluidic and medical devices, industrial filtration processes, fog-harvesting, and condensing apparatuses. Here, we present versatile three-dimensional-printed liquid diodes that enable spontaneous unidirectional flow over long distances for a wide range of liquid contact angles (CAs). Typically, we can achieve average flow velocities of several millimeters per second over a distance of tens to hundreds millimeters. The diodes have two key design principles. First, a sudden widening in the channels' width, in combination with a small bump, the pitch, ensure pinning of the liquid in the backward direction. Second, an adjustable reservoir with differing expansion angles, the bulga, is introduced to manipulate the liquid velocity. Using a combination of experiments and lattice Boltzmann simulations, we provide a comprehensive analysis of the flow behavior and speed within the channels depending on CAs, pitch heights, and bulga angles. This provides guidelines for the fabrication of bespoke liquid diodes with optimal design for their potential applications. As a feasibility investigation, we test our design for condensation of water from fog and subsequent transport uphill.
How SARS-CoV-2 Omicron droplets transport and deposit in realistic extrathoracic airways
Authors: Islam Mohammad S. , Rahman Md. Mizanur , Arsalanloo Akbar , Beni Hamidreza Mortazavy , Larpruenrudee Puchanee , Bennett Nick S. , Collins Richard , Gemci Tevfik , Taylor Maureen , Gu YuanTong
Published: November 2022

The SARS-CoV-2 Omicron variant is more highly transmissible and causes a higher mortality rate compared to the other eleven variants despite the high vaccination rate. The Omicron variant also establishes a local infection at the extrathoracic airway level. For better health risk assessment of the infected patients, it is essential to understand the transport behavior and the toxicity of the Omicron variant droplet deposition in the extrathoracic airways, which is missing in the literature. Therefore, this study aims to develop a numerical model for the Omicron droplet transport to the extrathoracic airways and to analyze that transport behavior. The finite volume method and ANSYS Fluent 2020 R2 solver were used for the numerical simulation. The Lagrangian approach, the discrete phase model, and the species transport model were employed to simulate the Omicron droplet transport and deposition. Different breathing rates, the mouth and nose inhalation methods were employed to analyze the viral toxicity at the airway wall. The results from this study indicated that there was a 33% of pressure drop for a flow rate at 30 l/min, while there was only a 3.5% of pressure drop for a 7.5 l/min. The nose inhalation of SARS-CoV-2 Omicron droplets is significantly more harmful than through the mouth due to a high deposition rate at the extrathoracic airways and high toxicity in the nasal cavities. The findings of this study would potentially improve knowledge of the health risk assessment of Omicron-infected patients.
Mean wake and aerodynamic forces for surface-mounted finite-height square prisms of very small aspect ratio
Authors: da Silva Barbara L. , Hahn Dylan G. H. , Sumner David , Bergstrom Donald J.
Published: November 2022

The mean flow field, aerodynamic forces, bending moment and Strouhal number (St) were investigated for isolated surface-mounted finite-height square prisms of very small aspect ratio (AR). The Reynolds number was Re =7.5×104 for the velocity measurements and 9×104 for the force, bending moment and St measurements. Prisms with AR = 0.5, 0.7 and 1 were considered, under two different boundary layer thicknesses of δ/D=0.7–0.8 (thin) and δ/D=1.3 (thick). For both boundary layers, the mean drag force coefficient showed a sharper increase with AR compared with taller prisms, and the mean normal force coefficient increased smoothly, with a lower magnitude than pressure-based normal force coefficients. An approximately constant point of action of the drag force was found for AR < 1. While the thick boundary layer caused the spectral peaks to weaken and St to decrease, some periodicity was still found for all AR. These features were connected to the changes in the mean wake of the prisms with AR and δ/D. A smaller AR and larger δ/D had similar effects, causing the wake to shorten, the probability and type of reattachment of the flow on the free end to change, and the mean wake structure to transition from a streamwise wake vorticity pattern to an inner vorticity pattern. The prism with AR = 1 showed a dipole wake structure similar to that of taller prisms, while the unique wake topology of prisms with AR < 1 was found to be responsible for the different force and St trends identified in this range of AR.
A low-cost Al-doped garnet Li7La3Zr2O12 with high ionic conductivity for high-energy solid-state lithium metal batteries
Authors: Ma Jun , Jiang Yidong , Chen Wenyan , Luo Chao , Zhang Ludan , Xu Hongli , Chang Jian , Huang Wei , Wang Chaoyang , Chi Shang-Sen , Wang Jun , Deng Yonghong
Published: November 2022

As a promising candidate of current solid-state electrolytes with various advantages, such as broad electrochemical stability window, high thermal stability, and chemical stability, garnet-type solid-state electrolyte Li7La3Zr2O12 (LLZO) attracts extensive research attention. Researchers usually use the element doping method to improve the lithium ion conductivity of LLZO and to stabilize the cubic phase. However, the improvements either increase the cost of raw materials or need complex process. In this work, the preparation process of Al-doped LLZO is optimized by a simple post-doping method (LLZO-Al), and the as-prepared LLZO-Al shows a high lithium ion conductivity of 5.331 × 10−4 S cm−1 and an activation energy of 0.25 eV at room temperature. In addition, the LLZO-Al exhibits excellent stability against Li in LiǁLLZO-AlǁLi symmetric cell, and the LiNi0.8Co0.1Mn0.1O2 (NCM811)ǁLLZO-AlǁLi solid-state cell delivers a stable cycle of 120 cycles at 0.1C. This work offers a low-cost preparation method of LLZO-based solid-state electrolytes with high ionic conductivities for high-energy solid-state lithium metal batteries.
A low-cost four-component relativistic equation of motion coupled cluster method based on frozen natural spinors: Theory, implementation, and benchmark
Authors: Surjuse Kshitijkumar , Chamoli Somesh , Nayak Malaya K. , Dutta Achintya Kumar
Published: November 2022

We present the theory and the implementation of a low-cost four-component relativistic equation of motion coupled cluster method for ionized states based on frozen natural spinors. A single threshold (natural spinor occupancy) can control the accuracy of the calculated ionization potential values. Frozen natural spinors can significantly reduce the computational cost for valence and core-ionization energies with systematically controllable accuracy. The convergence of the ionization potential values with respect to the natural spinor occupancy threshold becomes slower with the increase in basis set dimension. However, the use of a natural spinor threshold of 10−5 and 10−6 gives excellent agreement with experimental results for valence and core ionization energies, respectively.
Measuring proteins in H2O using 2D-IR spectroscopy: pre-processing steps and applications toward a protein library
Authors: Rutherford Samantha H. , Greetham Gregory M. , Parker Anthony W. , Nordon Alison , Baker Matthew J. , Hunt Neil T.
Published: November 2022

The ability of two-dimensional infrared (2D-IR) spectroscopy to measure the amide I band of proteins in H2O rather than D2O-based solvents by evading the interfering water signals has enabled in vivo studies of proteins under physiological conditions and in biofluids. Future exploitation of 2D-IR in analytical settings, from diagnostics to protein screening, will, however, require comparisons between multiple datasets, necessitating control of data collection protocols to minimize measurement-to-measurement inconsistencies. Inspired by analytical spectroscopy applications in other disciplines, we describe a workflow for pre-processing 2D-IR data that aims to simplify spectral cross-comparisons. Our approach exploits the thermal water signal that is collected simultaneously with, but is temporally separated from the amide I response to guide custom baseline correction and spectral normalization strategies before combining them with Principal Component noise reduction tools. Case studies show that application of elements of the pre-processing workflow to previously published data enables improvements in quantification accuracy and detection limits. We subsequently apply the complete workflow in a new pilot study, testing the ability of a prototype library of 2D-IR spectra to quantify the four major protein constituents of blood serum in a single, label-free measurement. These advances show progress toward the robust data handling strategies that will be necessary for future applications of 2D-IR to pharmaceutical or biomedical problems.
Converging and diverging burn rates in North American boreal forests from the Little Ice Age to the present
Authors: Chavardès Raphaël D. , Danneyrolles Victor , Portier Jeanne , Girardin Martin P. , Gaboriau Dorian M. , Gauthier Sylvie , Drobyshev Igor , Cyr Dominic , Wallenius Tuomo , Bergeron Yves
Published: November 2022

Warning This article contains terms, descriptions, and opinions used for historical context that may be culturally sensitive for some readers. Background Understanding drivers of boreal forest dynamics supports adaptation strategies in the context of climate change. Aims We aimed to understand how burn rates varied since the early 1700s in North American boreal forests. Methods We used 16 fire-history study sites distributed across such forests and investigated variation in burn rates for the historical period spanning 1700–1990. These were benchmarked against recent burn rates estimated for the modern period spanning 1980–2020 using various data sources. Key results Burn rates during the historical period for most sites showed a declining trend, particularly during the early to mid 1900s. Compared to the historical period, the modern period showed less variable and lower burn rates across sites. Mean burn rates during the modern period presented divergent trends among eastern versus northwestern sites, with increasing trends in mean burn rates in most northwestern North American sites. Conclusions The synchronicity of trends suggests that large spatial patterns of atmospheric conditions drove burn rates in addition to regional changes in land use like fire exclusion and suppression. Implications Low burn rates in eastern Canadian boreal forests may continue unless climate change overrides the capacity to suppress fire.
Spinal neuropeptide Y Y1 receptor-expressing neurons are a pharmacotherapeutic target for the alleviation of neuropathic pain
Authors: Nelson Tyler S. , Sinha Ghanshyam P. , Santos Diogo F. S. , Jukkola Peter , Prasoon Pranav , Winter Michelle K. , McCarson Ken E. , Smith Bret N. , Taylor Bradley K.
Published: November 2022

Peripheral nerve injury sensitizes a complex network of spinal cord dorsal horn (DH) neurons to produce allodynia and neuropathic pain. The identification of a druggable target within this network has remained elusive, but a promising candidate is the neuropeptide Y (NPY) Y1 receptor-expressing interneuron (Y1-IN) population. We report that spared nerve injury (SNI) enhanced the excitability of Y1-INs and elicited allodynia (mechanical and cold hypersensitivity) and affective pain. Similarly, chemogenetic or optogenetic activation of Y1-INs in uninjured mice elicited behavioral signs of spontaneous, allodynic, and affective pain. SNI-induced allodynia was reduced by chemogenetic inhibition of Y1-INs, or intrathecal administration of a Y1-selective agonist. Conditional deletion of
Npy1r
in DH neurons, but not peripheral afferent neurons prevented the anti-hyperalgesic effects of the intrathecal Y1 agonist. We conclude that spinal Y1-INs are necessary and sufficient for the behavioral symptoms of neuropathic pain and represent a promising target for future pharmacotherapeutic development of Y1 agonists.
Functional genomics of OCTN2 variants informs protein-specific variant effect predictor for Carnitine Transporter Deficiency
Authors: Koleske Megan L. , McInnes Gregory , Brown Julia E. H. , Thomas Neil , Hutchinson Keino , Chin Marcus Y. , Koehl Antoine , Arkin Michelle R. , Schlessinger Avner , Gallagher Renata C. , Song Yun S. , Altman Russ B. , Giacomini Kathleen M.
Published: November 2022

Genetic variants in
SLC22A5
, encoding the membrane carnitine transporter OCTN2, cause the rare metabolic disorder Carnitine Transporter Deficiency (CTD). CTD is potentially lethal but actionable if detected early, with confirmatory diagnosis involving sequencing of
SLC22A5
. Interpretation of missense variants of uncertain significance (VUSs) is a major challenge. In this study, we sought to characterize the largest set to date (
n
= 150) of OCTN2 variants identified in diverse ancestral populations, with the goals of furthering our understanding of the mechanisms leading to OCTN2 loss-of-function (LOF) and creating a protein-specific variant effect prediction model for OCTN2 function. Uptake assays with
14
C-carnitine revealed that 105 variants (70%) significantly reduced transport of carnitine compared to wild-type OCTN2, and 37 variants (25%) severely reduced function to less than 20%. All ancestral populations harbored LOF variants; 62% of green fluorescent protein (GFP)–tagged variants impaired OCTN2 localization to the plasma membrane of human embryonic kidney (HEK293T) cells, and subcellular localization significantly associated with function, revealing a major LOF mechanism of interest for CTD. With these data, we trained a model to classify variants as functional (>20% function) or LOF (<20% function). Our model outperformed existing state-of-the-art methods as evaluated by multiple performance metrics, with mean area under the receiver operating characteristic curve (AUROC) of 0.895 ± 0.025. In summary, in this study we generated a rich dataset of OCTN2 variant function and localization, revealed important disease-causing mechanisms, and improved upon machine learning–based prediction of OCTN2 variant function to aid in variant interpretation in the diagnosis and treatment of CTD.
Scaling of quantum interference from single molecules to molecular cages and their monolayers
Authors: Xu Xiaohui , Wang Juejun , Blankevoort Nickel , Daaoub Abdalghani , Sangtarash Sara , Shi Jie , Fang Chao , Yuan Saisai , Chen Lichuan , Liu Junyang , Yang Yang , Sadeghi Hatef , Hong Wenjing
Published: November 2022

The discovery of quantum interference (QI) is widely considered as an important advance in molecular electronics since it provides unique opportunities for achieving single-molecule devices with unprecedented performance. Although some pioneering studies suggested the presence of spin qubit coherence and QI in collective systems such as thin films, it remains unclear whether the QI can be transferred step-by-step from single molecules to different length scales, which hinders the application of QI in fabricating active molecular devices. Here, we found that QI can be transferred from a single molecule to their assemblies. We synthesized and investigated the charge transport through the molecular cages using 1,3-dipyridylbenzene (DPB) as a ligand block with a destructive quantum interference (DQI) effect and 2,5-dipyridylfuran (DPF) as a control building block with a constructive quantum interference (CQI) effect using both single-molecule break junction and large area junction techniques. Combined experiments and calculations revealed that both DQI and CQI had been transferred from the ligand blocks to the molecular cages and the monolayer thin film of the cages. Our work introduced QI effects from a ligand to the molecular cage comprising 732 atoms and even their monolayers, suggesting that the quantum interference could be scaled up within the phase-coherent distance.
Ancestral sex-role plasticity facilitates the evolution of same-sex sexual behavior
Authors: Mizumoto Nobuaki , Bourguignon Thomas , Bailey Nathan W.
Published: November 2022

Recent attempts to explain the evolutionary prevalence of same-sex sexual behavior (SSB) have focused on the role of indiscriminate mating. However, in many cases, SSB may be more complex than simple mistaken identity, instead involving mutual interactions and successful pairing between partners who can detect each other’s sex. Behavioral plasticity is essential for the expression of SSB in such circumstances. To test behavioral plasticity’s role in the evolution of SSB, we used termites to study how females and males modify their behavior in same-sex versus heterosexual pairs. Male termites follow females in paired “tandems” before mating, and movement patterns are sexually dimorphic. Previous studies observed that adaptive same-sex tandems also occur in both sexes. Here we found that stable same-sex tandems are achieved by behavioral plasticity when one partner adopts the other sex’s movements, resulting in behavioral dimorphism. Simulations based on empirically obtained parameters indicated that this socially cued plasticity contributes to pair maintenance, because dimorphic movements improve reunion success upon accidental separation. A systematic literature survey and phylogenetic comparative analysis suggest that the ancestors of modern termites lack consistent sex roles during pairing, indicating that plasticity is inherited from the ancestor. Socioenvironmental induction of ancestral behavioral potential may be of widespread importance to the expression of SSB. Our findings challenge recent arguments for a prominent role of indiscriminate mating behavior in the evolutionary origin and maintenance of SSB across diverse taxa.
Microfluidics guided by deep learning for cancer immunotherapy screening
Authors: Ao Zheng , Cai Hongwei , Wu Zhuhao , Hu Liya , Nunez Asael , Zhou Zhuolong , Liu Hongcheng , Bondesson Maria , Lu Xiongbin , Lu Xin , Dao Ming , Guo Feng
Published: November 2022

Immunocyte infiltration and cytotoxicity play critical roles in both inflammation and immunotherapy. However, current cancer immunotherapy screening methods overlook the capacity of the T cells to penetrate the tumor stroma, thereby significantly limiting the development of effective treatments for solid tumors. Here, we present an automated high-throughput microfluidic platform for simultaneous tracking of the dynamics of T cell infiltration and cytotoxicity within the 3D tumor cultures with a tunable stromal makeup. By recourse to a clinical tumor-infiltrating lymphocyte (TIL) score analyzer, which is based on a clinical data-driven deep learning method, our platform can evaluate the efficacy of each treatment based on the scoring of T cell infiltration patterns. By screening a drug library using this technology, we identified an epigenetic drug (lysine-specific histone demethylase 1 inhibitor, LSD1i) that effectively promoted T cell tumor infiltration and enhanced treatment efficacy in combination with an immune checkpoint inhibitor (anti-PD1) in vivo. We demonstrated an automated system and strategy for screening immunocyte-solid tumor interactions, enabling the discovery of immuno- and combination therapies.
A dynamic topography for visualizing time and space in fictional literary texts
Authors: Richardson Andrew , Hay Duncan
Published: November 2022

This paper presents research on creating interactive prototypes for visualizing temporal spatial relationships in
fictional literary texts. Developed within the context of the Chronotopic Cartographies project, a practice-led inquiry yielded
dynamic visualizations from literary texts, the research explores the development and application of interactive three-dimensional
environments illustrating the ‘chronotopic’, time-space relationships across a series of fictional literary texts. Expert feedback
highlights the potential of the interaction model as a useful visual paradigm for supporting methods of reflective inquiry
hypothesis making. The work also represents a potential model for creating interactive temporal visualizations which support
hypothesis making across a broader sphere of the humanities.
Ad hoc concepts and the relevance heuristics
Authors: Leclercq Benoît
Published: November 2022

The idea that interpreting a lexeme typically involves a context-dependent process of meaning construction has in recent years become common ground in linguistic theory. This view is very explicit in relevance theory (Sperber and Wilson 1995), which posits that speakers systematically infer ad hoc concepts (Carston 2002). Such an approach raises theoretical issues, though. First, it directly poses a challenge for the exact nature of (and difference between) concepts and ad hoc concepts (Carston 2002, 249). In addition, as Wilson (2011,2016) and Carston (2013,2016) point out, this view also uncovers the following paradox: if speakers are assumed to follow a path of least effort (relevance heuristics), why should they so systematically infer ad hoc concepts rather than test the encoded concept first? The aim of this paper is to reflect on this theoretical puzzle. It will first be argued that the hypotheses formulated both by Wilson and by Carston seem rather post hoc and fail to fully resolve the apparent paradox. Attention will then be given to the assumed nature of (ad hoc) concepts to show that the problem can be resolved when an alternative (non-atomic) view of concepts in terms of meaning potential is adopted.
Effect of indium on the microstructure and corrosion resistance of the galvanising coating
Authors: Wang Tianyi , Zhao Manxiu , Li Zhi , Wang Xinneng , Wei Jiacheng
Published: November 2022

The addition of alloying elements to a zinc bath is an effective method to inhibit silicon reactivity while galvanising silicon-containing steel. In this work, the effect of indium on the microstructure and corrosion resistance of galvanising coating on the Q235 steel was investigated. The results show that indium can promote the dense Γ phase to form, 0.79 wt-% Si can be dissolved in the ζ phase with the addition of indium into the zinc bath, which decreased the segregation of silicon at ζ phase boundaries and reduced the liquid phase channel, and inhibited the rapid growth of the ζ phase. Indium can improve the corrosion resistance of the coating. Compared with pure zinc coating, the self-corrosion current of Zn-0.4In coating decreased by 9.59 µA/cm2.
Deficiency for SAMHD1 activates MDA5 in a cGAS/STING-dependent manner
Authors: Schumann Tina , Ramon Santiago Costas , Schubert Nadja , Mayo Mohamad Aref , Hega Melanie , Maser Katharina Isabell , Ada Servi-Remzi , Sydow Lukas , Hajikazemi Mona , Badstübner Markus , Müller Patrick , Ge Yan , Shakeri Farhad , Buness Andreas , Rupf Benjamin , Lienenklaus Stefan , Utess Barbara , Muhandes Lina , Haase Michael , Rupp Luise , Schmitz Marc , Gramberg Thomas , Manel Nicolas , Hartmann Gunther , Zillinger Thomas , Kato Hiroki , Bauer Stefan , Gerbaulet Alexander , Paeschke Katrin , Roers Axel , Behrendt Rayk
Published: November 2022

Defects in nucleic acid metabolizing enzymes can lead to spontaneous but selective activation of either cGAS/STING or RIG-like receptor (RLR) signaling, causing type I interferon–driven inflammatory diseases. In these pathophysiological conditions, activation of the DNA sensor cGAS and IFN production are linked to spontaneous DNA damage. Physiological, or tonic, IFN signaling on the other hand is essential to functionally prime nucleic acid sensing pathways. Here, we show that low-level chronic DNA damage in mice lacking the Aicardi-Goutières syndrome gene SAMHD1 reduced tumor-free survival when crossed to a p53-deficient, but not to a DNA mismatch repair-deficient background. Increased DNA damage did not result in higher levels of type I interferon. Instead, we found that the chronic interferon response in SAMHD1-deficient mice was driven by the MDA5/MAVS pathway but required functional priming through the cGAS/STING pathway. Our work positions cGAS/STING upstream of tonic IFN signaling in Samhd1-deficient mice and highlights an important role of the pathway in physiological and pathophysiological innate immune priming.
Relevance of dissociative molecular states for resonant two-center photoionization of heteroatomic dimers
Authors: Grüll F , Voitkiv A B , Müller C
Published: November 2022

Photoionization of a weakly bound van-der-Waals dimer, composed of two atomic speciesAandB, is studied theoretically. AtomAcan be ionized either directly or via an indirect two-center channel, where atomBis first resonantly photoexcited and, afterwards, transfers the excitation energy via long-range electron–electron correlations radiationlessly to atomA, causing its ionization. By taking the vibrational nuclear motion of the dimer during the process into account, we analyze the contributions to the photoionization cross section from bound and dissociative molecular states in the finalA+–Bsystem. For the specific example of a LiHe dimer we show (a) that substantial contributions to both ionization mechanisms result from dissociative Li++He states and (b) that the two-center pathway strongly dominates over the direct photoionization channel for photon energies close to one of the molecular LiHe resonances.
Angular displacement sensor for gear position detection based on the tunneling magnetoresistance effect
Authors: Wang Yangyang , Qin Yi , Chen Xihou , Peng Donglin , Tang Qifu , Zhang Tianheng
Published: November 2022

In the fields of robotics, machine tools and spacecraft, measurement of the gear angular position lays the foundation for closed-loop positional feedback. In this article, an angular displacement sensor based on the tunneling magnetoresistance (TMR) effect is proposed for the precise measurement of angular displacement. The developed sensor mainly consists of a TMR element, a signal conditioning circuit, a permanent magnet and some necessary assembly components. The TMR element is composed of eight magnetic tunnel junctions, which are arranged according to the dual-full bridge structure with a spatial electric angle difference of π/2. Signals containing time information and space information are obtained after the sinusoidal and cosine voltages signals are respectively connected in two bridges. The signals are processed by a signal conditioning circuit, and then the angular displacement is measured by counting the clock pulses. The structure, working principles and signal conditioning method of the sensor are presented in detail. Moreover, a sensor prototype and a conditioning circuit are designed for actual experiments, according to the measured gear with a modulus of 1 and tooth number of 240. The prototype sensor has a theoretical resolution of 0.00001°. The experimental results show that the prototype sensor has a working stability of ±0.00023° within 1 h, and its measurement accuracy is −0.0008611° to 0.001361° in the measurement range from 0° to 360°. Therefore, the proposed sensor can be applied to the highly precise measurement of angular displacement.
A study on the measurement method of a two-component fluid proportion infrared spectrum based on HDC-PSAM
Authors: Liang Haibo , Luo Fenglong , Guo Jinhong , Zuo Xing
Published: November 2022

When traditional infrared spectroscopy technology is used for the measurement and quantitative analysis of fluid, due to the complex band composition of the infrared spectrum, weak absorption intensity and spectral signal, the measurement can easily be disturbed, thus increasing the error. This makes it difficult to achieve the requirements for the accurate analysis of fluids. To solve this problem, this paper uses self-developed experimental apparatus and, using water-based drilling fluid and diesel oil, proposes a new method for quantitative research of two-component proportional fluids based on hybrid dilated convolution-pyramid self-attention modules (HDC-PSAMs). A large number of experiments are carried out on water-based drilling fluids, diesel and water mixtures, and a large number of spectral experimental data are preprocessed using moving window smoothing and normalization methods. HDC and PSAMs are used to extract effective features, and are combined with a partial least squares algorithm to model fluid mixtures to achieve quantification of the fluid mixtures. The experimental results show that this method can reduce the influence of disturbance during measurement, has higher accuracy and stability, and effectively improves the measurement accuracy of infrared spectroscopy for quantitative analysis of fluids. This method also provides strong technical support for the analysis of other fluids and the measurement of fluid mixtures using infrared spectroscopy technology.
How to illustrate the principal of radiography using three monochromatic lights
Authors: Kato Nanami , Kamata Masahiro
Published: November 2022

A simple experimental method for illustrating the principle of radiography has been developed by simulating radiation with visible monochromatic lights. In our new method, an liquid crystal display of a tablet computer was used as a light source for monochromatic lights, which worked as a substitute for an x-ray or neutron source. And a figure (pattern) printed, with a colour printer, on a transparent sheet for an overhead projector was used for the object. Therefore, the method is safe and inexpensive, and has the merit that the students, especially junior/senior high school students, can engage in exploring their experiments through trial and error by themselves.
The polarity of a plastic rod and a glass rod at contact charging
Authors: Onder Celikkanli Nuray , Unlu Yavas Pervin
Published: November 2022

This study aims to determine the polarity of a plastic rod and a glass rod at contact charging with various materials. Contact charging often occurs when two electrically neutral materials are brought into contact, and then separated. Thus, selecting the types of material pairs has a critical role to make the contact charging more observable and measurable. This study was designed to address the astonishment of students who accidentally learned that a plastic rod can be positively charged at contact charging. What materials can cause the plastic rod to become positively charged at contact charging? This is the main research question of this study. Thus, we searched the polarity of a plastic rod and a glass rod at contact charging with various materials by using a typical laboratory electroscope and also a modern electronic electroscope. At the end of the study, it was shown that although the plastic rod is generally negatively charged at contact charging with many materials, it is positively charged at contact charging with a nylon garbage bag, a piece of nitric, or a piece of Teflon (PTFE). In addition, the glass rod is generally positively charged at contact charging with many materials except the human hair.
A home-lab experiment: resonance and sound speed using telescopic vacuum cleaner pipes
Authors: Monteiro Martín , Stari Cecilia , Martí Arturo C
Published: November 2022

We propose a home laboratory in which a telescopic vacuum cleaner pipe and a smartphone are used to investigate sound speed and acoustic resonance. When the pipe is hit or the hands clapped near one end, the sound produced is registered by a smartphone. The resonant frequency is obtained using a smartphone and an appropriate application. Varying the pipe’s length and registering the corresponding resonant frequency allows to obtain the sound speed. This home-lab, first proposed during Covid-19 pandemic, has been incorporated as a home challenge to experiment with acoustic resonance in new normal times.
Teaching quantum physics in secondary schools using the analogy with the physics of musical instruments
Authors: Andreotti Erica , Frans Renaat
Published: November 2022

The use of analogies in science has always been a source of creativity to come to new understandings. Analogical reasoning is applied in science education too as a powerful tool to understand new concepts. In this work we investigate the pedagogical potential of the analogy between the physics of musical instruments and quantum physics concepts including its limitations. We start from standing wave modes in musical instruments to look at quantization and superposition both in classical as in quantum phenomena.