bluuebunny/crossref_metadata_2025 huggingface dataset:
Aloha : L’optique non linéaire et fibrée au service de la haute résolution en astronomie
Authors: Grossard Ludovic , Reynaud François
Published: January 2023

Le projet ALOHA propose une nouvelle génération d’instruments dédiés à l’imagerie haute résolution en astronomie. Celui-ci a pour objectif de relier un réseau de télescopes hectométrique par fibre optique en utilisant conjointement la somme de fréquence pour adapter le rayonnement astronomique à un dispositif optimisé avec des composants fibrés ou guidés issus de la bande télécom. Ce travail a été effectué au laboratoire XLIM et sur ciel à l’observatoire du Mount Wilson (CA USA).
MKIDs : Nouveaux détecteurs supraconducteurs ultrasensibles pour l’astronomie
Authors: Boussaha Faouzi , Hu Jie , Martin Jean-Marc , Chaumont Christine , Nicaise Paul , Bonifacio Piercarlo
Published: January 2023

Dans cet article, nous présentons les MKIDs, pour « Microwave Kinetic Inductance Detectors », une nouvelle technologie de détecteur supraconducteur ultrasensible capable de détecter le photon et permettant de couvrir un large spectre électromagnétique allant des ondes millimétriques-submillimétriques aux rayons gamma, en passant par l’optique.
Metal-Free Cascade Synthesis of 1,2,4-Thiadiazoles from β-Ketothioamides and Alkyl/Aryl Cyanides under TBN Enabling Conditions at Room Temperature
Authors: Singh Maya Shankar , Singh Saurabh , Shukla Gaurav , Ray Subhasish
Published: January 2023

A metal-free radical cascade cyclization of β-ketothioamides and alkyl/aryl cyanides has been developed for the synthesis of 1,2,4-thiadiazoles bearing a stable nitroso group at an exocyclic double bond in a one-pot system. The reaction proceeds via the in situ generated ketoxime intermediate of β-ketothioamide, which further assists the formation of 1,2,4-thiadiazole through reaction with nitrile under TBN (tert-butyl nitrite) mediation. The basic utility of this reaction is the formation of three new bonds (two C–N and one S–N) in one stretch under mild conditions. Moreover, this protocol features excellent functional group tolerance, operational simplicity, and easy scalability. The radical process is supported by the BHT adduct of the α-ketoxime intermediate. Noteworthy is that the products possess Z stereochemistry with regard to the exocyclic C=C double bond at the 5-position.
Language and Literacy Strategies for Indigenous Children: A Scoping Review
Authors: Guiberson Mark , Vining Christine B.
Published: January 2023

The purpose of this scoping review was to describe the existent research on language and literacy strategies for Indigenous children and to establish the strength of strategies described. A scoping review was conducted to locate existent studies that described language and literacy interventions used with Indigenous children. The following electronic databases were searched: PsycINFO, ERIC, CINAHL Complete, Academic Search Premier, Education Source, and ASHAWire. Articles were managed and analyzed using Covidence, a web-based program for review research. Results were charted and a preliminary evidence map was created. Forty sources were identified that described language and literacy strategies for Indigenous children. Strength of strategy coding revealed 5 sources had compelling strength, 5 had promising strength, and 30 had lacking strength. Overall, there remains limited research describing language and literacy strategies for Indigenous children. A preliminary evidence map was created to chart each strategy and sources that included the strategy, and to indicate the highest strategy strength observed across sources. A discussion of compelling strategies as well as strategies that may be culturally responsive is provided.
Cognitive Profile in Patients Admitted to Intensive Rehabilitation after Stroke Is Associated with the Recovery of Dysphagia: Preliminary Results from the RIPS (Intensive Post-Stroke Rehabilitation) Study
Authors: Basagni Benedetta , Marignani Sara , Pancani Silvia , Mannini Andrea , Hakiki Bahia , Grippo Antonello , Macchi Claudio , Cecchi Francesca
Published: January 2023

Dysphagia represents one of the most frequent symptoms in the post–acute stroke population. Swallowing impairment and cognitive deficits can often co-occur. This study aims to investigate the relationship between cognitive impairment and the recovery of dysphagia in patients attending specific rehabilitation. Patients admitted to intensive rehabilitation units were administered the Functional Oral Intake Scale (FOIS) and Montreal Cognitive Screening Test (MoCA); when screening positive for dysphagia, they entered a rehabilitation program. Their FOIS score at discharge was the primary outcome measure. In the multivariate analysis, younger age (B = − 0.077, p = 0.017), higher MoCA (B = 0.191, p = 0.002), and higher FOIS (B = 1.251, p = 0.032) at admission were associated with higher FOIS at discharge. When executive function (EF) replaced the MoCA total score in the model, younger age (B = − 0.134, p = 0.001), higher admission EF (B = 1.451, p < 0.001), and FOIS (B = 1.348, p = 0.035) were associated with higher FOIS at discharge. Our results confirm the hypothesis that a better cognitive profile upon admission is associated with a higher probability of dysphagia recovery at discharge. EF seems to have a crucial role in dysphagia recovery. These results highlight the importance of considering the cognitive profile when assessing and treating dysphagia after stroke and of using screening tests that include executive functions.
Effects of excess electrons/holes on fracture toughness of single-crystal Si
Authors: Hirakata Hiroyuki , Homma Shigekazu , Noda Hiroki , Sakaguchi Shumpei , Shimada Takahiro
Published: January 2023

This study demonstrates that bond strength can be enhanced by injecting excess electrons or holes into a material by electron beam irradiation. To determine the effect of excess electrons/holes on the interatomic bond strength, fracture toughness tests were performed on single-crystal Si micropillars under various electron-beam irradiation conditions. The fracture toughness under electron beam irradiation was 4%–11% higher than that under non-irradiated conditions. In particular, an increase in strength was large in tests performed under hole-injection conditions. Furthermore, in first-principles calculations of the tensile strength of excess electrons/hole-doped Si, the ideal tensile strength monotonically decreased with an injection in excess electrons and increased monotonically with the injection of holes. This is qualitatively consistent with the experimental result that the fracture toughness increases under hole-injection conditions.
Tunability of voltage pulse mediated memristive functionality by varying doping concentration in SrTiO3
Authors: Goossens A. S. , Banerjee T.
Published: January 2023

The potential applications of memristive devices extend far beyond what can be realized using digital computing with utilization prospects in data encryption and in mobile communication. This necessitates widening the scope of memristive attributes to include the intrinsic variability of the resistive states between cycles for security applications. We demonstrate the ability to controllably influence resistive switching in Nb-doped SrTiO3-based interface memristors of different doping concentrations. We find that the reset switch from low to high analog resistance states is faster than for the reverse process and the switching speed increases with doping. Memristive functionalities, such as resistance window, stochasticity, and nonlinearity, are similarly influenced with doping. We demonstrate that a train of pulses applied in different sequences can encode information, exhibited as distinguishable resistance states, and read by applying a small voltage signal. We attribute these findings to the increased interfacial electric field at higher doping concentrations. The doping concentration is a useful handle to tune the memristive functionality for a wide range of different utilizations, beyond those prevalent today.
Modal engineering of electromagnetic circuits to achieve rapid settling times
Authors: Javor Josh , Yao Zhancheng , Barrett Lawrence , Imboden Matthias , Apte Sohm , Giannetta Russel W. , Campbell David K. , Bishop David J.
Published: January 2023

Inductive circuits and devices are ubiquitous and important design elements in many applications, such as magnetic drives, galvanometers, magnetic scanners, applying direct current (DC) magnetic fields to systems, radio frequency coils in nuclear magnetic resonance (NMR) systems, and a vast array of other applications. They are widely used to generate both DC and alternating current (AC) magnetic fields. Many of these applications require a rapid step and settling time, turning the DC or AC magnetic field on and off quickly. The inductive response normally makes this a challenging thing to do. In this article, we discuss open loop control algorithms for achieving rapid step and settling times in four general categories of applications: DC and AC systems where the system is either under- or over-damped. Each of these four categories requires a different algorithm, which we describe here. We show the operation of these drive methods using Simulink and Simscape modeling tools, analytical solutions to the underlying differential equations, and experimental results using an inductive magnetic coil and a Hall sensor. Finally, we demonstrate the application of these techniques to significantly reduce ringing in a standard NMR circuit. We intend this article to be practical, with useful, easy-to-apply algorithms and helpful tuning tricks.
Depth profiling of AlN and AlxGa1−xN crystals by XPS using Al Kα and Ag Lα line excitation and Ar ion gas cluster ion source
Authors: Romanyuk O. , Brault J. , Gordeev I. , Ukraintsev E. , Houdková J. , Jiříček P.
Published: January 2023

AlGaN-based heterostructures are promising candidates for the fabrication of ultraviolet light-emitting diodes. The analysis of the atomic composition of the grown epitaxial films is important from a technological point of view, allowing precise control over the wavelength and intensity of the emitted light. In this work, the depth profiling of AlN(0001), AlGaN(0001), and AlGaN quantum dot surfaces grown by molecular beam epitaxy was carried out by using angle-resolved x-ray photoelectron spectroscopy (XPS) combined with Ar gas cluster ion source (GCIS) sputtering. Core level shifts in XPS spectra measured by Al Kα and Ag Lα photon sources were determined. We found that sputtering by Ar1000+ ion clusters with an energy of 10 keV creates disorder on the surface and induces changes in surface atomic composition. As a result, depth profiling with a typical surface-sensitive Al Kα photon source is affected by the damaged layer. The application of a less surface-sensitive Ag Lα photon source with high photon energy could suppress the contribution from the damaged surface layer. Combining GCIS sputtering with Ag Lα line XPS measurements is, therefore, very promising for the quantification of atomic composition in the buried epitaxial layers or heterostructures with thicknesses of several tens of nm.
TD-DFT calculations and optical properties of a luminescent thiazolopyrimidine compound with different emission colors and uncommon blue shift upon aggregation
Authors: Abozeed Amina , Tolba Mahmoud S. , Sayed Mostafa , Al-Hossainy Ahmed F. , Younis Osama
Published: January 2023

A thin film of 7-oxo-thiazolopyrimidine-3,8-dicarbonitrile derivative [7-ThPyDi]TF was prepared using a spin coating technique. The surface morphology and molecular structure are studied using various techniques such as XRD, FTIR, and scanning electron microscope (SEM). Moreover, the quantum chemical calculations were carried out through time-dependent density functional theory (TD-DFT) to investigate some reactivity descriptors such as softness and electronegativity. Also, Au/[7-ThPyDi]TF/p-Si/Al heterojunction diodes were fabricated. It was revealed that the energy bandgap value of [7-ThPyDi] as an organic thin film is 3.58 eV for direct transitions and 3.94 eV for indirect transitions, respectively, and this value falls within the semiconductor material range. The atomic force microscope demonstrated that the surface roughness of the thin film is approximately 32.2 nm. Because of its high refractive index, this material has the potential application as an antireflection coating for solar cells and as lenses with a wide focal range. We investigated a blue luminescent thiazolopyrimidine compound; the maximum emission in the more aggregated state (higher solution concentration) exhibits a notable blue shift compared to the more diluted solution. This uncommon phenomenon has been understood by structural analyses using density functional theory. The chemical structure of the molecule [planar conjugated cores and strong polar groups (–CO and –CN)] enables it to interact with both itself and the polar solvent. The intermolecular interactions result in the bending of the conjugated plane. As a result, the blue shift happens upon aggregation when the conjugated effect becomes weaker. The studied molecule gave different emission colors (blue, yellow, and reddish green) depending on the molecular packing.
Partial barriers to chaotic transport in 4D symplectic maps
Authors: Firmbach Markus , Bäcker Arnd , Ketzmerick Roland
Published: January 2023

Chaotic transport in Hamiltonian systems is often restricted due to the presence of partial barriers, leading to a limited flux between different regions in phase space. Typically, the most restrictive partial barrier in a 2D symplectic map is based on a cantorus, the Cantor set remnants of a broken 1D torus. For a 4D symplectic map, we establish a partial barrier based on what we call a cantorus-NHIM—a normally hyperbolic invariant manifold with the structure of a cantorus. Using a flux formula, we determine the global 4D flux across a partial barrier based on a cantorus-NHIM by approximating it with high-order periodic NHIMs. In addition, we introduce a local 3D flux depending on the position along a resonance channel, which is relevant in the presence of slow Arnold diffusion. Moreover, for a partial barrier composed of stable and unstable manifolds of a NHIM, we utilize periodic NHIMs to quantify the corresponding flux.
Ultrawide bandgap willemite-type Zn2GeO4 epitaxial thin films
Authors: Luo Sijun , Trefflich Lukas , Selle Susanne , Hildebrandt Ron , Krüger Evgeny , Lange Stefan , Yu Jingjing , Sturm Chris , Lorenz Michael , Wenckstern Holger von , Hagendorf Christian , Höche Thomas , Grundmann Marius
Published: January 2023

Willemite-type Zn2GeO4 is a promising ultrawide bandgap semiconductor material. To date, experimental results on growth and physical properties of epitaxial thin films of willemite-type Zn2GeO4 are not available. Here, we report the heteroepitaxial growth of (00.1)-oriented Zn2GeO4 thin films on c-plane sapphire substrates using pulsed laser deposition. The in-plane orientation relationships are [11.0] Zn2GeO4//[11.0] Al2O3 and [11¯.0] Zn2GeO4//[11¯.0] Al2O3. A 450 nm thick epitaxial film with a surface roughness of 2.5 nm deposited under 0.1 mbar oxygen partial pressure exhibits a full width at half maximum (FWHM) of rocking curve of (00.6) reflex of 0.35°. The direct bandgap is evaluated to be 4.9 ± 0.1 eV. The valence band maximum is determined to be 3.7 ± 0.1 eV below the Fermi level. Together with the density-functional theory band structure calculation, it is suggested that the O 2p orbital and Zn 3d orbital dominantly contribute to the valence band of Zn2GeO4. The steady-state photoluminescence (PL) spectra of the films under 266 nm excitation at room temperature exhibit a broad defect-related emission band centered at 2.62 eV with a FWHM of 0.55 eV. The origin of this native defect-related PL is suggested to correlate with Zn interstitials. This work advances the fundamental study on willemite-type Zn2GeO4 epitaxial thin films for potential device application.
Bidirectional photoresponse of graphdiyne/graphene heterojunction detector for optical logic gates
Authors: Chen Yunkai , Huang Zixi , Huang Jianning , Shao Libo , Gao Fangliang , Chen Xinman , Khisro Said Nasir , Zhang Yong
Published: January 2023

In this work, we report the bidirectional photoresponse of the carbon-based graphdiyne/graphene (GDY/Gr) heterojunction photodetector toward the optical logic gates. The uniform GDY film was facilely grown on the surface of Gr serving as the template. Under mV-level bias, the resultant Au/GDY/Gr/Au devices manifest the bidirectional photoresponse to a broad wavelength range with rapid response time, namely, positive and negative photoresponse under negative and positive bias, respectively. It can be understood from the viewpoint of the divergence and coincidence between in-plane and external potential. Furthermore, the optically operated logical gates including logic AND, OR, and Exclusive-OR gates have been realized by integrating the fabricated Au/GDY/Gr/Au devices, converting optical signals to electrical signals in real-time. It suggests the potential application of GDY/Gr heterojunction toward visible-NIR detector as well as the stable optical logic units.
Extended analytical BCS theory of superconductivity in thin films
Authors: Travaglino Riccardo , Zaccone Alessio
Published: January 2023

We present an analytically solvable theory of Bardeen-Cooper-Schrieffer-type superconductivity in good metals which are confined along one of the three spatial directions, such as thin films. Closed-form expressions for the dependence of the superconducting critical temperature Tc as a function of the confinement size L are obtained, in quantitative agreement with experimental data with no adjustable parameters. Upon increasing the confinement, a crossover from a spherical Fermi surface, which contains two growing hollow spheres corresponding to states forbidden by confinement, to a strongly deformed Fermi surface, is predicted. This crossover represents a new topological transition, driven by confinement, between two Fermi surfaces belonging to two different homotopy classes. This topological transition provides a mechanistic explanation of the commonly observed non-monotonic dependence of Tc upon film thickness with a maximum which, according to our theory, coincides with the topological transition.
Epitaxial growth of flexible 1T-VSe2 thin films on mica by pulsed laser deposition
Authors: Mao Wei , Deng Xing , Sui Feng-Rui , Xu Ya-Ting , Qi Rui-Juan , Chen Bin-Bin , Xiang Ping-Hua , Zhong Ni
Published: January 2023

Recently, vanadium diselenide (VSe2), a member of transition metal dichalcogenides, has attracted a great deal of interest in spintronic devices and memory devices due to its unique physical properties. However, it is still a challenge to prepare a continuous VSe2 thin film which is critical for its potential application. Here, we report a continuous single-crystalline 1T-VSe2 thin film grown on mica by pulsed laser deposition. Both x-ray diffraction and high-resolution transmission electron microscopy verify the van der Waals epitaxy of the VSe2/mica heterostructure. Free-standing and flexible VSe2 thin films can be obtained and combined with integrated circuit technology, which is of great significance for the application of two-dimensional materials in the field of multifunctional flexible electronic devices.
Highly responsive silicon-based hot-electron photodetector with self-aligned metamaterial interdigital electrodes
Authors: Zhang Lijian , Lu Weikang , Qian Ruijie , Wang Hengliang , Xu Hongtao , Zhu Liping , An Zhenghua
Published: January 2023

A sensitive silicon-based hot-electron photodetector based on a self-aligned metal–semiconductor–metal junction is developed. Nearly perfect absorption is achieved with the metamaterial optical coupling, whereas the absorption difference between the upper and lower interdigital gratings is as large as 70% near the resonant wavelength. Arising from the asymmetric photo-absorption, the measured responsivity values of the self-aligned interdigital grating devices reach 1.89 and 0.78 mA/W under zero biasing conditions at the wavelengths of 1310 and 1550 nm, respectively. These values approach the reported record photo-responsivity of hot-electron photodetectors with conventional metal–semiconductor junctions. In addition, the indication of polarity-switchable photocurrent appears due to the wavelength-dependent absorption of the upper and lower metal interdigital gratings. Our device, combining the self-aligned metamaterial interdigital electrodes with highly asymmetric absorption, shows prospects for applications in photodetection, photovoltaics, integrated optoelectronics, and optical communications.
Electron and ion spectroscopy of azobenzene in the valence and core shells
Authors: Carlini L. , Montorsi F. , Wu Y. , Bolognesi P. , Borrego-Varillas R. , Casavola A. R. , Castrovilli M. C. , Chiarinelli J. , Mocci D. , Vismarra F. , Lucchini M. , Nisoli M. , Mukamel S. , Garavelli M. , Richter R. , Nenov A. , Avaldi L.
Published: January 2023

Azobenzene is a prototype and a building block of a class of molecules of extreme technological interest as molecular photo-switches. We present a joint experimental and theoretical study of its response to irradiation with light across the UV to x-ray spectrum. The study of valence and inner shell photo-ionization and excitation processes combined with measurement of valence photoelectron-photoion coincidence and mass spectra across the core thresholds provides a detailed insight into the site- and state-selected photo-induced processes. Photo-ionization and excitation measurements are interpreted via the multi-configurational restricted active space self-consistent field method corrected by second order perturbation theory. Using static modeling, we demonstrate that the carbon and nitrogen K edges of azobenzene are suitable candidates for exploring its photoinduced dynamics thanks to the transient signals appearing in background-free regions of the NEXAFS and XPS.
Thermochemical conversion characteristics of biosolid samples from a wastewater treatment plant in Brisbane, Australia
Authors: Hla San Shwe , Sujarittam Nuttaphol , Ilyushechkin Alexander
Published: January 2023

Environmental context Biosolids are nutrient-rich organic materials. They can be used as fertiliser and solid amendments in agriculture if treated according to regulatory requirements. If farming applications of biosolids decline due to potential pollution from their heavy metal content, an alternative to traditional methods of biosolid disposal is required. In this context, thermal processing of biosolids is an economically and environmentally suitable option to convert large quantities of biosolids into useful energy. Rationale Due to more stringent environmental regulations and frequently required long-distance transportation, the traditional disposal of biosolids from wastewater treatment plants in landfills and farms is becoming unsustainable. A potentially economical and environmental option is the thermochemical conversion of biosolids into energy and value-added products. This paper describes the chemical composition and energy content of a representative biosolid sample collected from a major wastewater-treatment plant in Queensland, Australia. Methodology The thermochemical behaviour and compositional changes in biosolids were investigated under a wide range of pyrolysis and gasification conditions using a horizontal tube furnace (HTF), a fixed-bed reactor and a thermogravimetric analyser (TGA). In terms of practical application of by-products, we describe mineral matter transformations in char and ashes during pyrolysis and volatilisation as well as under different gasification conditions. Results HTF experiments revealed that at pyrolysis below 800°C, mainly organic species were released, while losses of inorganic elements (phosphorus, magnesium and zinc) occurred at higher temperatures. In-situ gasification behaviour of biosolid chars in the TGA reactor showed that the gasification reaction of biosolid chars occurred rapidly at temperatures above 720°C, regardless of the pyrolysis temperatures at which those chars were produced. Mineral matter transformations began at temperatures above 600°C, and mainly involved the transformation of amorphous phases into crystalline oxide and phosphide forms. Under gasification conditions, all crystalline phases appeared as different phosphates and alumino-silicates. Discussion The methods described here provide different options for the disposal of biosolids from wastewater by adjusting and optimising thermochemical conversion processes.
Mobility and kinship in the world’s first village societies
Authors: Pearson Jessica , Evans Jane , Lamb Angela , Baird Douglas , Hodder Ian , Marciniak Arkadiusz , Larsen Clark Spencer , Knüsel Christopher J. , Haddow Scott D. , Pilloud Marin A. , Bogaard Amy , Fairbairn Andrew , Plug Jo-Hannah , Mazzucato Camilla , Mustafaoğlu Gökhan , Feldman Michal , Somel Mehmet , Fernández-Domínguez Eva
Published: January 2023

Around 10,000 y ago in southwest Asia, the cessation of a mobile lifestyle and the emergence of the first village communities during the Neolithic marked a fundamental change in human history. The first communities were small (tens to hundreds of individuals) but remained semisedentary. So-called megasites appeared soon after, occupied by thousands of more sedentary inhabitants. Accompanying this shift, the material culture and ancient ecological data indicate profound changes in economic and social behavior. A shift from residential to logistical mobility and increasing population size are clear and can be explained by either changes in fertility and/or aggregation of local groups. However, as sedentism increased, small early communities likely risked inbreeding without maintaining or establishing exogamous relationships typical of hunter-gatherers. Megasites, where large populations would have made endogamy sustainable, could have avoided this risk. To examine the role of kinship practices in the rise of megasites, we measured strontium and oxygen isotopes in tooth enamel from 99 individuals buried at Pınarbaşı, Boncuklu, and Çatalhöyük (Turkey) over 7,000 y. These sites are geographically proximate and, critically, span both early sedentary behaviors (Pınarbaşı and Boncuklu) and the rise of a local megasite (Çatalhöyük). Our data are consistent with the presence of only local individuals at Pınarbaşı and Boncuklu, whereas at Çatalhöyük, several nonlocals are present. The Çatalhöyük data stand in contrast to other megasites where bioarchaeological evidence has pointed to strict endogamy. These different kinship behaviors suggest that megasites may have arisen by employing unique, community-specific kinship practices.
Conflict, violence, and warfare among early farmers in Northwestern Europe
Authors: Fibiger Linda , Ahlström Torbjörn , Meyer Christian , Smith Martin
Published: January 2023

Bioarchaeological evidence of interpersonal violence and early warfare presents important insights into conflict in past societies. This evidence is critical for understanding the motivations for violence and its effects on opposing and competing individuals and groups across time and space. Selecting the Neolithic of northwestern Europe as an area for study, the present paper examines the variation and societal context for the violence recorded in the human skeletal remains from this region as one of the most important elements of human welfare. Compiling data from various sources, it becomes apparent that violence was endemic in Neolithic Europe, sometimes reaching levels of intergroup hostilities that ended in the utter destruction of entire communities. While the precise comparative quantification of healed and unhealed trauma remains a fundamental problem, patterns emerge that see conflict likely fostered by increasing competition between settled and growing communities, e.g., for access to arable land for food production. The further development of contextual information is paramount in order to address hypotheses on the motivations, origins, and evolution of violence as based on the study of human remains, the most direct indicator for actual small- and large-scale violence.
Using heparan sulfate octadecasaccharide (18-mer) as a multi-target agent to protect against sepsis
Authors: Liao Yi-En , Xu Yongmei , Arnold Katelyn , Zhang Fuming , Li Jine , Sellers Rani , Yin Chaoyin , Pagadala Vijayakanth , Inman Anna Marie , Linhardt Robert J. , Xu Ding , Pawlinski Rafal , Liu Jian
Published: January 2023

Sepsis is a lethal syndrome manifested by an unregulated, overwhelming inflammation from the host in response to infection. Here, we exploit the use of a synthetic heparan sulfate octadecasaccharide (18-mer) to protect against sepsis. The 18-mer not only inhibits the pro-inflammatory activity of extracellular histone H3 and high mobility group box 1 (HMGB1), but also elicits the anti-inflammatory effect from apolipoprotein A-I (ApoA-I). We demonstrate that the 18-mer protects against sepsis-related injury and improves survival in cecal ligation and puncture mice and reduces inflammation in an endotoxemia mouse model. The 18-mer neutralizes the cytotoxic histone-3 (H3) through direct interaction with the protein. Furthermore, the 18-mer enlists the actions of ApoA-I to dissociate the complex of HMGB1 and lipopolysaccharide, a toxic complex contributing to cell death and tissue damage in sepsis. Our study provides strong evidence that the 18-mer mitigates inflammatory damage in sepsis by targeting numerous mediators, setting it apart from other potential therapies with a single target.
Isotopic and DNA analyses reveal multiscale PPNB mobility and migration across Southeastern Anatolia and the Southern Levant
Authors: Wang Xiaoran , Skourtanioti Eirini , Benz Marion , Gresky Julia , Ilgner Jana , Lucas Mary , Morsch Michael , Peters Joris , Pöllath Nadja , Ringbauer Harald , le Roux Petrus , Schultz Michael , Krause Johannes , Roberts Patrick , Stockhammer Philipp W.
Published: January 2023

Growing reliance on animal and plant domestication in the Near East and beyond during the Pre-Pottery Neolithic B (PPNB) (the ninth to eighth millennium BC) has often been associated with a “revolutionary” social transformation from mobility toward more sedentary lifestyles. We are able to yield nuanced insights into the process of the Neolithization in the Near East based on a bioarchaeological approach integrating isotopic and archaeogenetic analyses on the bone remains recovered from Nevalı Çori, a site occupied from the early PPNB in Turkey where some of the earliest evidence of animal and plant domestication emerged, and from Ba'ja, a typical late PPNB site in Jordan. In addition, we present the archaeological sequence of Nevalı Çori together with newly generated radiocarbon dates. Our results are based on strontium (
87
Sr/
86
Sr), carbon, and oxygen (δ
18
O and δ
13
C
carb
) isotopic analyses conducted on 28 human and 29 animal individuals from the site of Nevalı Çori.
87
Sr/
86
Sr results indicate mobility and connection with the contemporaneous surrounding sites during the earlier PPNB prior to an apparent decline in this mobility at a time of growing reliance on domesticates. Genome-wide data from six human individuals from Nevalı Çori and Ba'ja demonstrate a diverse gene pool at Nevalı Çori that supports connectedness within the Fertile Crescent during the earlier phases of Neolithization and evidence of consanguineous union in the PPNB Ba'ja and the Iron Age Nevalı Çori.
A selective inhibitor of the sperm-specific potassium channel SLO3 impairs human sperm function
Authors: Lyon Maximilian , Li Ping , Ferreira Juan J. , Lazarenko Roman M. , Kharade Sujay V. , Kramer Meghan , McClenahan Samantha J. , Days Emily , Bauer Joshua A. , Spitznagel Brittany D. , Weaver C. David , Borrego Alvarez Aluet , Puga Molina Lis C. , Lybaert Pascale , Khambekar Saayli , Liu Alicia , Lindsley Craig W. , Denton Jerod , Santi Celia M.
Published: January 2023

To fertilize an oocyte, the membrane potential of both mouse and human sperm must hyperpolarize (become more negative inside). Determining the molecular mechanisms underlying this hyperpolarization is vital for developing new contraceptive methods and detecting causes of idiopathic male infertility. In mouse sperm, hyperpolarization is caused by activation of the sperm-specific potassium (K+) channel SLO3 [C. M. Santi et al., FEBS Lett.584, 1041–1046 (2010)]. In human sperm, it has long been unclear whether hyperpolarization depends on SLO3 or the ubiquitous K+channel SLO1 [N. Mannowetz, N. M. Naidoo, S. A. S. Choo, J. F. Smith, P. V. Lishko,Elife 2, e01009 (2013), C. Brenker et al., Elife3, e01438 (2014), and S. A. Mansell, S. J. Publicover, C. L. R. Barratt, S. M. Wilson, Mol. Hum. Reprod.20, 392–408 (2014)]. In this work, we identified the first selective inhibitor for human SLO3—VU0546110—and showed that it completely blocked heterologous SLO3 currents and endogenous K+currents in human sperm. This compound also prevented sperm from hyperpolarizing and undergoing hyperactivated motility and induced acrosome reaction, which are necessary to fertilize an egg. We conclude that SLO3 is the sole K+channel responsible for hyperpolarization and significantly contributes to the fertilizing ability of human sperm. Moreover, SLO3 is a good candidate for contraceptive development, and mutation of this gene is a possible cause of idiopathic male infertility.
HDAC7 is an immunometabolic switch triaging danger signals for engagement of antimicrobial versus inflammatory responses in macrophages
Authors: Das Gupta Kaustav , Ramnath Divya , von Pein Jessica B. , Curson James E. B. , Wang Yizhuo , Abrol Rishika , Kakkanat Asha , Moradi Shayli Varasteh , Gunther Kimberley S. , Murthy Ambika M. V. , Stocks Claudia J. , Kapetanovic Ronan , Reid Robert C. , Iyer Abishek , Ilka Zoe C. , Nauseef William M. , Plan Manuel , Luo Lin , Stow Jennifer L. , Schroder Kate , Karunakaran Denuja , Alexandrov Kirill , Shakespear Melanie R. , Schembri Mark A. , Fairlie David P. , Sweet Matthew J.
Published: January 2023

The immune system must be able to respond to a myriad of different threats, each requiring a distinct type of response. Here, we demonstrate that the cytoplasmic lysine deacetylase HDAC7 in macrophages is a metabolic switch that triages danger signals to enable the most appropriate immune response. Lipopolysaccharide (LPS) and soluble signals indicating distal or far-away danger trigger HDAC7-dependent glycolysis and proinflammatory IL-1β production. In contrast, HDAC7 initiates the pentose phosphate pathway (PPP) for NADPH and reactive oxygen species (ROS) production in response to the more proximal threat of nearby bacteria, as exemplified by studies on uropathogenic
Escherichia coli
(UPEC). HDAC7-mediated PPP engagement via 6-phosphogluconate dehydrogenase (6PGD) generates NADPH for antimicrobial ROS production, as well as D-ribulose-5-phosphate (RL5P) that both synergizes with ROS for UPEC killing and suppresses selective inflammatory responses. This dual functionality of the HDAC7-6PGD-RL5P axis prioritizes responses to proximal threats. Our findings thus reveal that the PPP metabolite RL5P has both antimicrobial and immunomodulatory activities and that engagement of enzymes in catabolic versus anabolic metabolic pathways triages responses to different types of danger for generation of inflammatory versus antimicrobial responses, respectively.
Molecular understanding of Ni
2+
-nitrogen family metal-coordinated hydrogel relaxation times using free energy landscapes
Authors: Khare Eesha , Cazzell Seth Allen , Song Jake , Holten-Andersen Niels , Buehler Markus J.
Published: January 2023

Incorporating dynamic metal-coordination bonds as cross-links into synthetic materials has become attractive not only to improve self-healing and toughness, but also due to the tunability of metal-coordination bonds. However, a priori determination of bond lifetime of metal-coordination complexes, especially important in the rational design of metal-coordinated materials with prescribed properties, is missing. We report an empirical relationship between the energy landscape of metal-coordination bonds, simulated via metadynamics, and the resulting macroscopic relaxation time in ideal metal-coordinated hydrogels. Importantly, we expand the Arrhenius relationship between the macroscopic hydrogel relaxation time and metal-coordinate bond activation energy to include width and landscape ruggedness identified in the simulated energy landscapes. Using biologically relevant Ni
2+
-nitrogen coordination complexes as a model case, we demonstrate that the quantitative relationship developed from histidine-Ni
2+
and imidazole-Ni
2+
complexes can predict the average relaxation times of other Ni
2+
-nitrogen coordinated networks. We anticipate the quantitative relationship presented here to be a starting point for the development of more sophisticated models that can predict relaxation timescales of materials with programmable viscoelastic properties.
Measures of epitope binding degeneracy from T cell receptor repertoires
Authors: Mayer Andreas , Callan Curtis G.
Published: January 2023

Adaptive immunity is driven by specific binding of hypervariable receptors to diverse molecular targets. The sequence diversity of receptors and targets are both individually known but because multiple receptors can recognize the same target, a measure of the effective “functional” diversity of the human immune system has remained elusive. Here, we show that sequence near-coincidences within T cell receptors that bind specific epitopes provide a new window into this problem and allow the quantification of how binding probability covaries with sequence. We find that near-coincidence statistics within epitope-specific repertoires imply a measure of binding degeneracy to amino acid changes in receptor sequence that is consistent across disparate experiments. Paired data on both chains of the heterodimeric receptor are particularly revealing since simultaneous near-coincidences are rare and we show how they can be exploited to estimate the number of epitope responses that created the memory compartment. In addition, we find that paired-chain coincidences are strongly suppressed across donors with different human leukocyte antigens, evidence for a central role of antigen-driven selection in making paired chain receptors public. These results demonstrate the power of coincidence analysis to reveal the sequence determinants of epitope binding in receptor repertoires.
Mechanistic framework for reduced-order models in soft materials: Application to three-dimensional granular intrusion
Authors: Agarwal Shashank , Goldman Daniel I. , Kamrin Ken
Published: January 2023

Soft materials often display complex behaviors that transition through apparent solid- and fluid-like regimes. While a growing number of microscale simulation methods exist for these materials, reduced-order models that encapsulate the macroscale physics are often desired to predict how external bodies interact with soft media. Such an approach could provide direct insights in diverse situations from impact and penetration problems to locomotion over natural terrains. This work proposes a systematic program to develop three-dimensional (3D) reduced-order models for soft materials from a fundamental basis using continuum symmetries and rheological principles. In particular, we derive a reduced-order, 3D resistive force theory (3D-RFT), which is capable of accurately and quickly predicting the resistive stress distribution on arbitrary-shaped bodies intruding through granular media. Aided by a continuum description of the granular medium, a comprehensive set of spatial symmetry constraints, and a limited amount of reference data, we develop a self-consistent and accurate 3D-RFT. We verify the model capabilities in a wide range of cases and show that it can be quickly recalibrated to different media and intruder surface types. The premises leading to 3D-RFT anticipate application to other soft materials with strongly hyperlocalized intrusion behavior.
“Let’s … together”
Authors: Sun Xiaochun , Chen Xinren
Published: January 2023

This study, drawing on a modified version of Spencer-Oatey’s Rapport Management Model (2008), attempts to probe into the underexplored phenomenon of apparent rapport management in Chinese directive public signs in terms of face, sociality rights and obligations, interests, and interactional goals. Based on the analysis of data collected from four cities in China, this study demonstrates how some Chinese producers of directive public signs make varying and various discursive efforts to enhance rapport with the general public. It is argued that this “personalization” characteristic of Chinese directive public signs suggests their producers’ attempt at doing rapport with the public. This research, while extending the scope of discussion on rapport management from the interpersonal to the public sphere, might serve to explain why some Chinese directive public signs (directives in particular) are not terse.
A cross-linguistic syntactic analysis of telicity in motion predicates in Southern Tati, Mandarin, and Ghanaian Student Pidgin
Authors: Chen Pin-Hsi Patrick , Osei-Tutu Kwaku Owusu Afriyie , Taherkhani Neda
Published: January 2023

This paper proposes an analysis of telicity in motion predicates within the framework of the Exo-Skeletal Model (Borer 2005b). We hypothesize that a motion event is syntactically represented by a Path component, the core of which is avP that introduces a Figure argument. This Path component is interpreted as quantity in the sense ofBorer (2005b)when there is a certain type of morpheme present in the structure, such as a verb that denotes the reaching of an endpoint. A quantity Path component can then assign a semantic value to a functional projection called AspQP, which returns a telic interpretation. Data from Mandarin, Ghanaian Student Pidgin, and Southern Tati show AspQP can be assigned a value either with or without overt head movement. We further propose a distinction between Path and direction, which explains data that were left unexplained in previous studies and seemingly contradict our claim.
Mouldy Planet: Fungi and One Health
Authors: Ogunseitan Oladele A. , Matlock Melissa
Published: January 2023

Prevention of diseases caused by pathogenic fungi exemplifies the need for a One Health approach because a fungal species can cause similar disease in humans and animals and can survive long in the environment. This case study of coccidioidomycosis (valley fever) illustrates the power of integrative surveillance for One Health.

Fungi belong to a taxonomically distinctive group of organisms that are among the most diverse, widely distributed and metabolically versatile organisms on earth. Physically, fungi range in size from microscopic yeasts, visible mould with colourful spores, and mushrooms, which may be larger than a human palm. Through their genetic profile and heterotrophy, fungi are more related to animals than to plants. Fungi can cause disease in humans, animals and plants, and they produce infectious forms such as lightweight spores, which can survive long in natural environments. Therefore, many diseases caused by pathogenic fungi are better understood and controlled through a transdisciplinary One Health approach. Fungi produce antibiotics such as penicillin, and they are also capable of developing resistance to many medications used to treat infections, making them a major threat to global health. This case study focuses on coccidioidomycosis (valley fever), an illness that develops from inhaling spores of the fungus
Coccidioides imitis
or
Coccidioides posadasii
, which are commonly found in soils of the south-western USA and in Central and South America, where the disease has been long recognized as a threat. Communities of people, pets and farm animals inhabiting periodically dry environmental conditions are particularly vulnerable, and investigators have suggested that the current incidence of the disease and the geographical expansion of zones of vulnerability are linked to climate change.

1

Improved understanding of the One Health context of valley fever should inform public communication strategies for preventing the disease.
A Time-Dependent Random State Approach for Large-Scale Density Functional Calculations
Authors: Zhou Weiqing , Yuan Shengjun
Published: January 2023

We develop a self-consistent first-principle method based on the density functional theory. Physical quantities such as the density of states, Fermi energy and electron density are obtained using a time-dependent random state method without diagonalization. The numerical error for calculating either global or local variables always scales as

1
/

S

N
e

, where N
e is the number of electrons and S is the number of random states, leading to a sublinear computational cost with the system size. In the limit of large systems, one random state could be enough to achieve reasonable accuracy. The accuracy and scaling properties of using the method are derived analytically and verified numerically in different condensed matter systems. Our time-dependent random state approach provides a powerful strategy for large-scale density functional calculations.
Self-consistent treatment of gas heating in modeling of a coaxial DBD in atmospheric pressure CO2
Authors: Zhou Chen , Yuan Chengxun , Kudryavtsev Anatoly , Yasar Katircioglu T , Rafatov Ismail , Yao Jingfeng
Published: January 2023

This work is devoted to the numerical study of characteristics of dielectric barrier discharge maintained in a coaxial reactor in atmospheric pressure

C

O
2

. The numerical model is based on the drift-diffusion theory of gas discharges, and takes into account the gas heating in a self-consistent manner. The effect of incorporating gas heating into the discharge properties, specifically, on

C

O
2

decomposition, is investigated for wide range of amplitude and frequency of the applied voltage. Calculations revealed a significant effect of gas heating on

C

O
2

conversion. Calculations with a constant (room) gas temperature led to a strong overestimation of

C

O
2

conversion level.