bluuebunny/crossref_metadata_2025 huggingface dataset:
Neuropathogenicity of non-viable Borrelia burgdorferi ex vivo
Authors: Parthasarathy Geetha , Gadila Shiva Kumar Goud
Published: January 2022

Even after appropriate treatment, a proportion of Lyme disease patients suffer from a constellation of symptoms, collectively called Post-Treatment Lyme Disease Syndrome (PTLDS). Brain PET scan of patients with PTLDS have demonstrated likely glial activation indicating persistent neuroinflammatory processes. It is possible that unresolved bacterial remnants can continue to cause neuroinflammation. In previous studies, we have shown that non-viable Borrelia burgdorferi can induce neuroinflammation and apoptosis in an oligodendrocyte cell line. In this follow-up study, we analyze the effect of sonicated remnants of B. burgdorferi on primary rhesus frontal cortex (FC) and dorsal root ganglion (DRG) explants. Five FC and three DRG tissue fragments from rhesus macaques were exposed to sonicated B. burgdorferi and analyzed for 26 inflammatory mediators. Live bacteria and medium alone served as positive and negative control, respectively. Tissues were also analyzed for cell types mediating inflammation and overall apoptotic changes. Non-viable B. burgdorferi induced significant levels of several inflammatory mediators in both FC and DRG, similar to live bacteria. However, the levels induced by non-viable B. burgdorferi was often (several fold) higher than those induced by live ones, especially for IL-6, CXCL8 and CCL2. This effect was also more profound in the FC than in the DRG. Although the levels often differed, both live and dead fragments induced the same mediators, with significant overlap between FC and DRG. In the FC, immunohistochemical staining for several inflammatory mediators showed the presence of multiple mediators in astrocytes, followed by microglia and oligodendrocytes, in response to bacterial remnants. Staining was also seen in endothelial cells. In the DRG, chemokine/cytokine staining was predominantly seen in S100 positive (glial) cells. B. burgdorferi remnants also induced significant levels of apoptosis in both the FC and DRG. Apoptosis was confined to S100 + cells in the DRG while distinct neuronal apoptosis was also detected in most FC tissues in response to sonicated bacteria. Non-viable B. burgdorferi can continue to be neuropathogenic to both CNS and PNS tissues with effects likely more profound in the former. Persistence of remnant-induced neuroinflammatory processes can lead to long term health consequences.
Optimizing performance and yield of vertical GaN diodes using wafer scale optical techniques
Authors: Gallagher James C. , Ebrish Mona A. , Porter Matthew A. , Jacobs Alan G. , Gunning Brendan P. , Kaplar Robert J. , Hobart Karl D. , Anderson Travis J.
Published: January 2022

To improve the manufacturing of vertical GaN devices for power electronics applications, the effects of defects in GaN substrates need to be better understood. Many non-destructive techniques including photoluminescence, Raman spectroscopy and optical profilometry, can be used to detect defects in the substrate and epitaxial layers. Raman spectroscopy was used to identify points of high crystal stress and non-uniform conductivity in a substrate, while optical profilometry was used to identify bumps and pits in a substrate which could cause catastrophic device failures. The effect of the defects was studied using vertical P-i-N diodes with a single zone junction termination extention (JTE) edge termination and isolation, which were formed via nitrogen implantation. Diodes were fabricated on and off of sample abnormalities to study their effects. From electrical measurements, it was discovered that the devices could consistently block voltages over 1000 V (near the theoretical value of the epitaxial layer design), and the forward bias behavior could consistently produce on-resistance below 2 mΩ cm2, which is an excellent value considering DC biasing was used and no substrate thinning was performed. It was found that high crystal stress increased the probability of device failure from 6 to 20%, while an inhomogeneous carrier concentration had little effect on reverse bias behavior, and slightly (~ 3%) increased the on-resistance (Ron). Optical profilometry was able to detect regions of high surface roughness, bumps, and pits; in which, the majority of the defects detected were benign. However a large bump in the termination region of the JTE or a deep pit can induce a low voltage catastrophic failure, and increased crystal stress detected by the Raman correlated to the optical profilometry with associated surface topography.
In vitro modulation of Schwann cell behavior by VEGF and PDGF in an inflammatory environment
Authors: Basu Souptik , Choudhury Indra N. , Nazareth Lynn , Chacko Anu , Shelper Todd , Vial Marie-Laure , Ekberg Jenny A. K. , St John James A.
Published: January 2022

Peripheral glial cell transplantation with Schwann cells (SCs) is a promising approach for treating spinal cord injury (SCI). However, improvements are needed and one avenue to enhance regenerative functional outcomes is to combine growth factors with cell transplantation. Vascular endothelial growth factor (VEGF) and platelet-derived growth factor (PDGF) are neuroprotective, and a combination of these factors has improved outcomes in rat SCI models. Thus, transplantation of SCs combined with VEGF and PDGF may further improve regenerative outcomes. First, however, we must understand how the two factors modulate SCs. In this in vitro study, we show that an inflammatory environment decreased the rate of SC-mediated phagocytosis of myelin debris but the addition of VEGF and PDGF (alone and combined) improved phagocytosis. Cytokine expression by SCs in the inflammatory environment revealed that addition of PDGF led to significantly lower level of pro-inflammatory cytokine, TNF-α, but IL-6 and anti-inflammatory cytokines (TGF-β and IL-10), remained unaltered. Further, PDGF was able to decrease the expression of myelination associated gene Oct6 in the presence of inflammatory environment. Overall, these results suggest that the use of VEGF and/or PDGF combined with SC transplantation may be beneficial in SCI therapy.
Path integral Monte Carlo approach to the structural properties and collective excitations of liquid $$^3{\text {He}}$$ without fixed nodes
Authors: Dornheim Tobias , Moldabekov Zhandos A. , Vorberger Jan , Militzer Burkhard
Published: January 2022

Due to its nature as a strongly correlated quantum liquid, ultracold helium is characterized by the nontrivial interplay of different physical effects. Bosonic$$^4{\text {He}}$$4Heexhibits superfluidity and Bose-Einstein condensation. Its physical properties have been accurately determined on the basis ofab initiopath integral Monte Carlo (PIMC) simulations. In contrast, the corresponding theoretical description of fermionic$$^3{\text {He}}$$3Heis severely hampered by the notorious fermion sign problem, and previous PIMC results have been derived by introducing the uncontrolled fixed-node approximation. In this work, we present extensive new PIMC simulations of normal liquid$$^3{\text {He}}$$3Hewithout any nodal constraints. This allows us to to unambiguously quantify the impact of Fermi statistics and to study the effects of temperature on different physical properties like the static structure factor$$S({\mathbf {q}})$$S(q), the momentum distribution$$n({\mathbf {q}})$$n(q), and the static density response function$$\chi ({\mathbf {q}})$$χ(q). In addition, the dynamic structure factor$$S({\mathbf {q}},\omega )$$S(q,ω)is rigorously reconstructed from imaginary-time PIMC data. From simulations of$$^3{\text {He}}$$3He, we derived the familiar phonon–maxon–roton dispersion function that is well-known for$$^4{\text {He}}$$4Heand has been reported previously for two-dimensional$$^3{\text {He}}$$3Hefilms (Nature 483:576–579 (2012)). The comparison of our new results for both$$S({\mathbf {q}})$$S(q)and$$S({\mathbf {q}},\omega )$$S(q,ω)with neutron scattering measurements reveals an excellent agreement between theory and experiment.
Evaluation of remodeling and geometry on the biomechanical properties of nacreous bivalve shells
Authors: Muñoz-Moya Estefano , García-Herrera Claudio M. , Lagos Nelson A. , Abarca-Ortega Aldo F. , Checa Antonio G. , Harper Elizabeth M.
Published: January 2022

Mollusks have developed a broad diversity of shelled structures to protect against challenges imposed by biological interactions(e.g., predation) and constraints (e.g., $$pCO_2$$

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-induced ocean acidification and wave-forces). Although the study of shell biomechanical properties with nacreous microstructure has provided understanding about the role of shell integrity and functionality on mollusk performance and survival, there are no studies, to our knowledge, that delve into the variability of these properties during the mollusk ontogeny, between both shells of bivalves or across the shell length. In this study, using as a model the intertidal mussel Perumytilus purpuratus to obtain, for the first time, the mechanical properties of its shells with nacreous microstructure; we perform uniaxial compression tests oriented in three orthogonal axes corresponding to the orthotropic directions of the shell material behavior (thickness, longitudinal, and transversal). Thus, we evaluated whether the shell material’s stress and strain strength and elastic modulus showed differences in mechanical behavior in mussels of different sizes, between valves, and across the shell length. Our results showed that the biomechanical properties of the material building the P. purpuratus shells are symmetrical in both valves and homogeneous across the shell length. However, uniaxial compression tests performed across the shell thickness showed that biomechanical performance depends on the shell size (aging); and that mechanical properties such as the elastic modulus, maximum stress, and strain become degraded during ontogeny. SEM observations evidenced that compression induced a tortuous fracture with a delamination effect on the aragonite mineralogical structure of the shell. Findings suggest that P. purpuratus may become vulnerable to durophagous predators and wave forces in older stages, with implications in mussel beds ecology and biodiversity of intertidal habitats.
Use of electronic cigarettes and heated tobacco products during the Covid-19 pandemic
Authors: Gallus Silvano , Stival Chiara , Carreras Giulia , Gorini Giuseppe , Amerio Andrea , McKee Martin , Odone Anna , van den Brandt Piet A. , Spizzichino Lorenzo , Pacifici Roberta , Lugo Alessandra
Published: January 2022

Only a few studies investigated changes in electronic cigarette (e-cigarette) and heated tobacco product (HTP) use during pandemic restrictions. We conducted a web-based cross-sectional study of a representative sample of 6,003 Italian adults during the strictest phase of the Covid-19 lockdown (April–May 2020). Participants were asked to report changes in e-cigarette and HTP use compared to before the pandemic. E-cigarette users increased from 8.1% to 9.1% and HTP users from 4.0% to 4.5%. Among e-cigarette non-users before lockdown, 1.8% started using e-cigarettes during lockdown. New users were more frequently younger (p for trend 0.001), men (odds ratio, OR 1.56; 95% confidence interval, CI: 1.03–2.34), cannabis users (OR 2.35; 95% CI: 1.33–4.13), gamblers (OR 3.34; 95% CI: 2.18–5.11) and individuals with anxiety symptoms (OR 1.58; 95% CI: 1.00–2.52). 1.0% of HTP non-users started using it during lockdown. New users were less frequently current than never cigarette smokers (OR 0.19; 95% CI: 0.06–0.61) and more frequently gamblers (OR 2.23; 95% CI: 1.22–4.07). E-cigarettes and HTPs played little role as smoking cessation tools for hardcore smokers but rather provided opportunities for young never smokers to engage in socially acceptable activities, perhaps reflecting the obstacles they faced in obtaining other addictive substances during confinement.
Hypoxia-inducible factor 1α induces osteo/odontoblast differentiation of human dental pulp stem cells via Wnt/β-catenin transcriptional cofactor BCL9
Authors: Orikasa Shion , Kawashima Nobuyuki , Tazawa Kento , Hashimoto Kentaro , Sunada-Nara Keisuke , Noda Sonoko , Fujii Mayuko , Akiyama Tetsu , Okiji Takashi
Published: January 2022

Accelerated dental pulp mineralization is a common complication in avulsed/luxated teeth, although the mechanisms underlying this remain unclear. We hypothesized that hypoxia due to vascular severance may induce osteo/odontoblast differentiation of dental pulp stem cells (DPSCs). This study examined the role of B-cell CLL/lymphoma 9 (BCL9), which is downstream of hypoxia-inducible factor 1α (HIF1α) and a Wnt/β-catenin transcriptional cofactor, in the osteo/odontoblastic differentiation of human DPSCs (hDPSCs) under hypoxic conditions. hDPSCs were isolated from extracted healthy wisdom teeth. Hypoxic conditions and HIF1α overexpression induced significant upregulation of mRNAs for osteo/odontoblast markers (RUNX2, ALP, OC), BCL9, and Wnt/β-catenin signaling target genes (AXIN2, TCF1) in hDPSCs. Overexpression and suppression of BCL9 in hDPSCs up- and downregulated, respectively, the mRNAs for AXIN2, TCF1, and the osteo/odontoblast markers. Hypoxic-cultured mouse pulp tissue explants showed the promotion of HIF1α, BCL9, and β-catenin expression and BCL9-β-catenin co-localization. In addition, BCL9 formed a complex with β-catenin in hDPSCs in vitro. This study demonstrated that hypoxia/HIF1α-induced osteo/odontoblast differentiation of hDPSCs was partially dependent on Wnt/β-catenin signaling, where BCL9 acted as a key mediator between HIF1α and Wnt/β-catenin signaling. These findings may reveal part of the mechanisms of dental pulp mineralization after traumatic dental injury.
Upper extremity motor abilities and cognitive capability mediate the causal dependency between somatosensory capability and daily function in stroke individuals
Authors: Lin Szu-Hung , Yang Tong-Rong , Chuang I-Ching , Chen Chia-Ling , Wu Ching-Yi
Published: January 2022

Stroke individuals’ daily function has been demonstrated to be influenced by their somatosensory capability, cognitive capability, and upper extremity (UE) motor abilities. However, the structural relationships among these abilities on stroke individuals’ independence in daily function remain unclear. We analyzed the pretest measures of 153 stroke individuals in outpatient rehabilitation settings by structural equation modeling to determine the structural relationship among somatosensory capability, UE muscle strength, UE motor function, and cognitive capability that influences independence in daily function. The standardized results indicated somatosensory capability negatively influenced UE muscle strength, but positively influenced UE muscle strength mediated by UE motor function. UE muscle strength, then, positively influenced individuals’ independence in daily function. On the other hand, somatosensory capability positively influenced cognitive capability, which marginally and positively affected the performance of independence in daily function. To the best of our knowledge, this is the first study to demonstrate the influence of somatosensory capability on the daily function is mediated mainly by motor functions and marginally by cognitive capability. This structural model may allow future clinical therapists to design more effective task-related training protocols to promote the independence in daily function for stroke individuals.
Path planning and smoothing of mobile robot based on improved artificial fish swarm algorithm
Authors: Li Fei-Fei , Du Yun , Jia Ke-Jin
Published: January 2022

An algorithm that integrates the improved artificial fish swarm algorithm with continuous segmented Bézier curves is proposed, aiming at the path planning and smoothing of mobile robots. On the one hand, to overcome the low accuracy problems, more inflection points and relatively long planning paths in the traditional artificial fish swarm algorithm for path planning, feasible solutions and a range of step sizes are introduced based on Dijkstra's algorithm. To solve the problems of poor convergence and degradation that hinder the algorithm's ability to find the best in the later stage, a dynamic feedback horizon and an adaptive step size are introduced. On the other hand, to ensure that the planned paths are continuous in both orientation and curvature, the Bessel curve theory is introduced to smooth the planned paths. This is demonstrated through a simulation that shows the improved artificial fish swarm algorithm achieving 100% planning accuracy, while ensuring the shortest average path in the same grid environment. Additionally, the smoothed path is continuous in both orientation and curvature, which satisfies the kinematic characteristics of the mobile robot.
Oral streptococci subvert the host innate immune response through hydrogen peroxide
Authors: Tang Yi Ling , Sim Tiow Suan , Tan Kai Soo
Published: January 2022

In periodontal health, oral streptococci constitute up to 80% of the plaque biofilm. Yet, destructive inflammatory events of the periodontium are rare. This observation suggests that oral streptococci may possess mechanisms to co-exist with the host. However, the mechanisms employed by oral streptococci to modulate the innate immune response have not been well studied. One of the key virulence factors produced by oral streptococci is hydrogen peroxide (H2O2). In mammalian cells, H2O2 triggers the activation of nuclear factor erythroid 2-related factor 2 (Nrf2), a key pathway mediating antioxidant defence. This study aimed to determine (1) if H2O2 producing oral streptococci activated the Nrf2 pathway in macrophages, and (2) if the activation of Nrf2 influenced the innate immune response. We found that oral streptococci downregulated the innate immune response in a H2O2 dependent manner through the activation of the Nrf2. The activation of the Nrf2 signalling pathway led to the inhibition of nuclear factor kappa-light-chain-enhancer of activated B cells (NFĸB), the key transcription factor regulating pro-inflammatory response. This study showed for the first time that oral streptococci are unlikely passive bystanders but could play an active role in the maintenance of periodontal health by preventing overt inflammation.
The dynamical formation of ephemeral groups on networks and their effects on epidemics spreading
Authors: Cremonini Marco , Maghool Samira
Published: January 2022

In network models of propagation processes, the individual, microscopic level perspective is the norm, with aggregations studied as possible outcomes. On the contrary, we adopted a mesoscale perspective with groups as the core element and in this sense we present a novel agent-group dynamic model of propagation in networks. In particular, we focus on ephemeral groups that dynamically form, create new links, and dissolve. The experiments simulated 160 model configurations and produced results describing cases of consecutive and non-consecutive dynamic grouping, bounded or unbounded in the number of repetitions. Results revealed the existence of complex dynamics and multiple behaviors. An efficiency metric is introduced to compare the different cases. A Null Model analysis disclosed a pattern in the difference between the group and random models, varying with the size of groups. Our findings indicate that a mesoscopic construct like the ephemeral group, based on assumptions about social behavior and absent any microscopic level change, could produce and describe complex propagation dynamics. A conclusion is that agent-group dynamic models may represent a powerful approach for modelers and a promising new direction for future research in models of coevolution between propagation and behavior in society.
Multisensor hyperspectral imaging approach for the microchemical analysis of ultramarine blue pigments
Authors: González-Cabrera M. , Wieland K. , Eitenberger E. , Bleier A. , Brunnbauer L. , Limbeck A. , Hutter H. , Haisch C. , Lendl B. , Domínguez-Vidal A. , Ayora-Cañada M. J.
Published: January 2022

This work presents a multisensor hyperspectral approach for the characterization of ultramarine blue, a valuable historical pigment, at the microscopic scale combining the information of four analytical techniques at the elemental and molecular levels. The hyperspectral images collected were combined in a single hypercube, where the pixels of the various spectral components are aligned on top of each other. Selected spectral descriptors have been defined to reduce data dimensionality before applying unsupervised chemometric data analysis approaches. Lazurite, responsible for the blue color of the pigment, was detected as the major mineral phase present in synthetic and good quality pigments. Impurities like pyrite were detected in lower quality samples, although the clear identification of other mineral phases with silicate basis was more difficult. There is no correlation between the spatial distribution of the bands arising in the Raman spectra of natural samples in the region 1200–1850 cm−1 and any of the transition metals or rare earth elements (REE). With this information, the previous hypothesis (based on bulk analysis) attributing these bands to luminescence emissions due to impurities of these elements must be revised. We propose the consideration of CO2 molecules trapped in the cages of the aluminosilicate structure of sodalite-type. Additionally, correlation between certain Raman features and the combined presence of Ca, P, and REE, in particular Nd, was detected for the lowest quality pigment. Our results highlight the usefulness of fusing chemical images obtained via different imaging techniques to obtain relevant information on chemical structure and properties.
Ti2N nitride MXene evokes the Mars-van Krevelen mechanism to achieve high selectivity for nitrogen reduction reaction
Authors: Johnson Denis , Hunter Brock , Christie Jevaun , King Cullan , Kelley Eric , Djire Abdoulaye
Published: January 2022

We address the low selectivity problem faced by the electrochemical nitrogen (N2) reduction reaction (NRR) to ammonia (NH3) by exploiting the Mars-van Krevelen (MvK) mechanism on two-dimensional (2D) Ti2N nitride MXene. NRR technology is a viable alternative to reducing the energy and greenhouse gas emission footprint from NH3 production. Most NRR catalysts operate by using an associative or dissociative mechanism, during which the NRR competes with the hydrogen evolution reaction (HER), resulting in low selectivity. The MvK mechanism reduces this competition by eliminating the adsorption and dissociation processes at the sites for NH3 synthesis. We show that the new class of 2D materials, nitride MXenes, evoke the MvK mechanism to achieve the highest Faradaic efficiency (FE) towards NH3 reported for any pristine transition metal-based catalyst—19.85% with a yield of 11.33 μg/cm2/hr at an applied potential of − 250 mV versus RHE. These results can be expanded to a broad class of systems evoking the MvK mechanism and constitute the foundation of NRR technology based on MXenes.
Forensic and genetic characterizations of diverse southern Thai populations based on 15 autosomal STRs
Authors: Srikummool Metawee , Srithawong Suparat , Muisuk Kanha , Sangkhano Sukrit , Suwannapoom Chatmongkon , Kampuansai Jatupol , Kutanan Wibhu
Published: January 2022

Southern Thailand is home to various populations; the Moklen, Moken and Urak Lawoi’ sea nomads and Maniq negrito are the minority, while the southern Thai groups (Buddhist and Muslim) are the majority. Although previous studies have generated forensic STR dataset for major groups, such data of the southern Thai minority have not been included; here we generated a regional forensic database of southern Thailand. We newly genotyped common 15 autosomal STRs in 184 unrelated southern Thais, including all minorities and majorities. When combined with previously published data of major southern Thais, this provides a total of 334 southern Thai samples. The forensic parameter results show appropriate values for personal identification and paternity testing; the probability of excluding paternity is 0.99999622, and the combined discrimination power is 0.999999999999999. Probably driven by genetic drift and/or isolation with small census size, we found genetic distinction of the Maniq and sea nomads from the major groups, which were closer to the Malay and central Thais than the other Thai groups. The allelic frequency results can strength the regional forensic database in southern Thailand and also provide useful information for anthropological perspective.
Spatial correlations in geographical spreading of COVID-19 in the United States
Authors: McMahon Troy , Chan Adrian , Havlin Shlomo , Gallos Lazaros K.
Published: January 2022

The global spread of the COVID-19 pandemic has followed complex pathways, largely attributed to the high virus infectivity, human travel patterns, and the implementation of multiple mitigation measures. The resulting geographic patterns describe the evolution of the epidemic and can indicate areas that are at risk of an outbreak. Here, we analyze the spatial correlations of new active cases in the USA at the county level and characterize the extent of these correlations at different times. We show that the epidemic did not progress uniformly and we identify various stages which are distinguished by significant differences in the correlation length. Our results indicate that the correlation length may be large even during periods when the number of cases declines. We find that correlations between urban centers were much more significant than between rural areas and this finding indicates that long-range spreading was mainly facilitated by travel between cities, especially at the first months of the epidemic. We also show the existence of a percolation transition in November 2020, when the largest part of the country was connected to a spanning cluster, and a smaller-scale transition in January 2021, with both times corresponding to the peak of the epidemic in the country.
Post-stroke treatment with argon preserved neurons and attenuated microglia/macrophage activation long-termly in a rat model of transient middle cerebral artery occlusion (tMCAO)
Authors: Liu Jingjin , Veldeman Michael , Höllig Anke , Nolte Kay , Liebenstund Lisa , Willuweit Antje , Langen Karl-Josef , Rossaint Rolf , Coburn Mark
Published: January 2022

In a previous study from our group, argon has shown to significantly attenuate brain injury, reduce brain inflammation and enhance M2 microglia/macrophage polarization until 7 days after ischemic stroke. However, the long-term effects of argon have not been reported thus far. In the present study, we analyzed the underlying neuroprotective effects and potential mechanisms of argon, up to 30 days after ischemic stroke. Argon administration with a 3 h delay after stroke onset and 1 h after reperfusion demonstrated long-term neuroprotective effect by preserving the neurons at the ischemic boundary zone 30 days after stroke. Furthermore, the excessive microglia/macrophage activation in rat brain was reduced by argon treatment 30 days after ischemic insult. However, long-lasting neurological improvement was not detectable. More sensorimotor functional measures, age- and disease-related models, as well as further histological and molecular biological analyses will be needed to extend the understanding of argon’s neuroprotective effects and mechanism of action after ischemic stroke.
A personalized FEM model for reproducible measurement of anti-inflammatory drugs in transdermal administration to knee
Authors: Arpaia Pasquale , Crauso Federica , Frosolone Mirco , Mariconda Massimo , Minucci Simone , Moccaldi Nicola
Published: January 2022

A personalized model of the human knee for enhancing the inter-individual reproducibility of a measurement method for monitoring Non-Steroidal Anti-Inflammatory Drugs (NSAIDs) after transdermal delivery is proposed. The model is based on the solution of Maxwell Equations in the electric-quasi-stationary limit via Finite Element Analysis. The dimensions of the custom geometry are estimated on the basis of knee circumference at the patella, body mass index, and sex of each individual. An optimization algorithm allows to find out the electrical parameters of each subject by experimental impedance spectroscopy data. Muscular tissues were characterized anisotropically, by extracting Cole–Cole equation parameters from experimental data acquired with twofold excitation, both transversal and parallel to tissue fibers. A sensitivity and optimization analysis aiming at reducing computational burden in model customization achieved a worst-case reconstruction error lower than 5%. The personalized knee model and the optimization algorithm were validated in vivo by an experimental campaign on thirty volunteers, 67% healthy and 33% affected by knee osteoarthritis (Kellgren–Lawrence grade ranging in [1,4]), with an average error of 3%.
Growth of high-quality semiconducting tellurium films for high-performance p-channel field-effect transistors with wafer-scale uniformity
Authors: Kim Taikyu , Choi Cheol Hee , Byeon Pilgyu , Lee Miso , Song Aeran , Chung Kwun-Bum , Han Seungwu , Chung Sung-Yoon , Park Kwon-Shik , Jeong Jae Kyeong
Published: January 2022

Achieving high-performance p-type semiconductors has been considered one of the most challenging tasks for three-dimensional vertically integrated nanoelectronics. Although many candidates have been presented to date, the facile and scalable realization of high-mobility p-channel field-effect transistors (FETs) is still elusive. Here, we report a high-performance p-channel tellurium (Te) FET fabricated through physical vapor deposition at room temperature. A growth route involving Te deposition by sputtering, oxidation and subsequent reduction to an elemental Te film through alumina encapsulation allows the resulting p-channel FET to exhibit a high field-effect mobility of 30.9 cm2 V−1 s−1 and an ION/OFF ratio of 5.8 × 105 with 4-inch wafer-scale integrity on a SiO2/Si substrate. Complementary metal-oxide semiconductor (CMOS) inverters using In-Ga-Zn-O and 4-nm-thick Te channels show a remarkably high gain of ~75.2 and great noise margins at small supply voltage of 3 V. We believe that this low-cost and high-performance Te layer can pave the way for future CMOS technology enabling monolithic three-dimensional integration.
Antioxidant Response Activating nanoParticles (ARAPas) localize to atherosclerotic plaque and locally activate the Nrf2 pathway
Authors: Maiocchi Sophie , Cartaya Ana , Thai Sydney , Akerman Adam , Bahnson Edward
Published: January 2022

Antioxidant Response Activating nanoParticles (ARAPas), but not un-targeted drug, induce protective genes in atherosclerotic plaque.
Modulating intramolecular electron and proton transfer kinetics for promoting carbon dioxide conversion
Authors: Yuan Yajie , Zhao Yazhen , Yang Shuai , Han Sheng , Lu Chenbao , Ji Huiping , Wang Tianfu , Ke Changchun , Xu Qing , Zhu Jinhui , Zhuang Xiaodong
Published: January 2022

An azulene modified iron porphyrin with a narrow bandgap is synthesized. When used as an electrocatalyst for CO2 reduction, it exhibits nearly 100% selectivity for carbon monoxide formation.
Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5
Authors: Shircliff Anthony D. , Allbritton Elisabeth M. A. , Davilla Dustin J. , Gorbet Michael-Joseph , Jones Donald G. , Tresp David S. , Allen Michael B. , Shrestha Alina , Burgess Gwendolyn E. , Eze John I. , Fernandez Andrea T. , Ramirez Daniel , Shoff Kody J. , Crispin Garet G. , Crone Sarah B. , Flinn Michael , Tran Tien , Bryce Darby S. , Bond Abbagale L. , Shockey Dylan W. , Oliver Allen G. , Krause Jeanette A. , Prior Timothy J. , Hubin Timothy J.
Published: January 2022

15aneN5 is structurally characterized complexed to Cr3+, Mn3+, Fe3+, Co3+, and Cu2+ for the first time. Ru3+ complexation yields a Ru2+ diimine structure. A geometric factor quantifies the coordination geometry of the ligand in its complexes.
The influence of silica nanoparticle geometry on the interfacial interactions of organic molecules: a molecular dynamics study
Authors: Rama Prasad , Abbas Zareen
Published: January 2022

The role of silica nanoparticle shape in the interaction of PHTHA organic molecules onto the spheroid and cuboid geometrical interfaces at various aqueous environments.
Electronic and thermoelectric properties of Nd-doped Ce-filled skutterudites
Authors: Limbu Nihal , Ram Mahesh , Joshi Himanshu , Saxena Atul , Shankar Amit
Published: January 2022

The rattling of the central cage atom introduces strong phonon scattering that leads to reduced lattice thermal conductivity (KL) in the doped alloys and effectively enhances the dimensionless figure of merit (ZT).
Intriguing strain-governed magnetic phase transitions in 2D vanadium porphyrin sheets
Authors: Wang Qi , Zhang Zhilu , Huang Haicai , Song Xinyu , Bu Yuxiang
Published: January 2022

Biaxial strain can modulate the magnetic moments of the central vanadium atoms in 2D vanadium porphyrin sheet and induce the phase transitions among four magnetic states with unique conversion pathways due to their different responses to strain.
Low-dimensional heterostructures for advanced electrocatalysis: an experimental and computational perspective
Authors: Ahsan Md Ariful , He Tianwei , Noveron Juan C. , Reuter Karsten , Puente-Santiago Alain R. , Luque Rafael
Published: January 2022

The development of LD heterostructure nanomaterials represents a powerful strategy totailor the electrocatalytic function of several interfacial active sites at the subnanometer level.
Prebiotic activities of dextran from Leuconostoc mesenteroides SPCL742 analyzed in the aspect of the human gut microbial ecosystem
Authors: Kim Geonhee , Bae Jae-Han , Cheon Seongwon , Lee Dong Hyeon , Kim Da Hye , Lee Deukbuhm , Park Sung-Hoon , Shim Sangmin , Seo Jin-Ho , Han Nam Soo
Published: January 2022

Investigation of the prebiotic activities of LM742 dextran produced by Leuconostoc mesenteroides SPCL742 in the aspect of the human gut microbial ecosystem focusing on microbiome and metabolome changes in in vitro colonic fermentation.
The anti-fatigue effect of theAuxis thazardoligopeptideviamodulation of the AMPK/PGC-1α pathway in mice
Authors: Qu Yushan , Ji Hongwu , Song Wenkui , Peng Shuo , Zhan Suhong , Wei Liuyi , Chen Ming , Zhang Di , Liu Shucheng
Published: January 2022

The anti-fatigue effect of the ATO has been confirmed for the first time and its mechanism was revealed from the modulation of the oxidative stress and AMPK/PGC-1α pathway in mice.
Electrochemical dehydrogenative C–N coupling of hydrazones for the synthesis of 1H-indazoles
Authors: Zhang Hong , Ye Zenghui , Chen Na , Chen Zhenkun , Zhang Fengzhi
Published: January 2022

A metal- and oxidant-free electrochemical synthesis of valuable indazoles was developed via the dehydrogenative C–N coupling of hydrazones.
Determining 88Sr/86Sr of barite using the Na2CO3 exchange method
Authors: Sun Nan , Chen Xu-Qi , Tian Lan-Lan , Huang Fang
Published: January 2022

This study developed a method using Na2CO3 exchange reaction and MC-ICP-MS to measure the stable Sr isotope composition of barites. Using excessive Na2CO3 can avoid Sr isotope fractionation.
Unveiling the layer-dependent electronic properties in transition-metal dichalcogenide heterostructures assisted by machine learning
Authors: Wang Tao , Tan Xiaoxing , Wei Yadong , Jin Hao
Published: January 2022

The electronic properties of layered two-dimensional (2D) transition-metal dichalcogenide (TMD) van der Waals (vdW) heterostructures are strongly dependent on their layer number (N).
Discovery of 13,15-nor-polycyclic polyprenylated acylphloroglucinols fromHypericum longistylumwith anti-inflammatory activity
Authors: Shi Zhengyi , Hu Hong , Guo Yi , Duan Yulin , Zhang Yeting , Tao Bo , Bu Pengfei , Sun Weiguang , Qi Changxing , Zhang Yonghui
Published: January 2022

The first 13,15-nor-polycyclic polyprenylated acylphloroglucinols (PPAPs) bearing a 7/6/5 tricyclic ring system, based on an unusual bicyclo[3.2.2]nonane core, were isolated fromHypericum longistylum.
Metal-free alkylation of quinoxalinones with aryl alkyl ketones
Authors: Liu Xinya , Guo Zhuangzhuang , Liu Yanpeng , Chen Xiaoyu , Li Jingya , Zou Dapeng , Wu Yangjie , Wu Yusheng
Published: January 2022

The first metal-free method for alkylation of quinoxalinones using cheap and stable aryl alkyl ketones as nucleophilic alkylation reagents is reported.
Microphase-separated, magnetic macroporous polymers with amphiphilic swelling from emulsion templating
Authors: Zhang Tao , Cao Hui , Gui Haoguan , Xu Zhiguang , Zhao Yan
Published: January 2022

PolyHIPEs with amphiphilic swelling were fabricated by copolymerization, proving a strategy for the preparation of polyHIPEs with amphiphilic swelling. The polyHIPEs showed microphase-separated crystalline void walls and magnetic responsiveness.
Simulation of defects, flexibility and rupture in biopolymer networks
Authors: Bailey Matthew H. J. , Wilson Mark
Published: January 2022

We use a coarse grained polymer model and a simple graph representation to introduce defects into a biopolymer network, then cause them to rupture.
Formation and selected catalytic properties of ruthenium, rhodium, osmium and iridium nanoparticles
Authors: Krajczewski Jan , Ambroziak Robert , Kudelski Andrzej
Published: January 2022

The synthesis and applications in catalysis of nanoparticles formed from ruthenium, rhodium, osmium and iridium have been reviewed.
Modulating heterointerfaces of tungsten incorporated CoSe/Co3O4as a highly efficient electrocatalyst for overall water splitting
Authors: Balaji Ravichandran , Nguyen Thanh Tuan , Harish Kempanna , Kim Nam Hoon , Lee Joong Hee
Published: January 2022

Electrochemical water-splitting is emerging as a promising pathway to produce pure and green hydrogen. Herein, we prepared a tungsten incorporated CoSe/Co3O4heterostructure and employed it as an efficient electrocatalyst for overall water splitting.
β-SnS/GaSe heterostructure: a promising solar-driven photocatalyst with low carrier recombination for overall water splitting
Authors: Meng Jie , Wang Jiajun , Wang Jianing , Li Qunxiang , Yang Jinlong
Published: January 2022

Computational studies of the GaSe/β-SnS heterostructure indicate that it is a promising type-II photocatalyst for solar-driven water splitting.
Liquid metal biomaterials for biomedical imaging
Authors: Gao Wenwen , Wang Yige , Wang Qian , Ma Guolin , Liu Jing
Published: January 2022

Various liquid metals (LMs) biomaterials such as LM micro/nanoparticles, surface modified LM droplets, LM composites with inorganic substances and organic polymers, have been applied in biomedical imaging.
A one-dimensional perovskite with ferroelectric and switchable nonlinear optical properties: [azetidinium]CdCl3
Authors: Rok Magdalena , Zarychta Bartosz , Trojan-Piegza Joanna , Bil Andrzej , Piecha-Bisiorek Anna , Zaręba Jan K. , Medycki Wojciech , Jakubas Ryszard
Published: January 2022

A new ferroelectric 1-D perovskite (C3H8N)[CdCl3] was synthesized and characterized.
Correction: Engineering lithiophilic Ni-Al@LDH interlayers on a garnet-type electrolyte for solid-state lithium metal batteries
Authors: Liu Wei , Lu Guanjie , Yang Zuguang , Zhao Qiannan , Hu Xiaolin , Wu Dan , Li Zongyang , Wang Ronghua , Sun Shikuan , Xu Chaohe
Published: January 2022

Correction for ‘Engineering lithiophilic Ni-Al@LDH interlayers on a garnet-type electrolyte for solid-state lithium metal batteries’ by Wei Liu et al., Chem. Commun., 2021, 57, 10214–10217, DOI: 10.1039/D1CC02932K.
Development and validation of pyroptosis-related lncRNAs prediction model for bladder cancer
Authors: Lia Thongher , Shao Yanxiang , Regmi Parbatraj , Li Xiang
Published: January 2022

Bladder cancer (BLCA) is one of the highly heterogeneous disorders accompanied by a poor prognosis. The present study aimed to construct a model based on pyroptosis-related long-stranded non-coding RNA (lncRNA) to evaluate the potential prognostic application in bladder cancer. The mRNA expression profiles of bladder cancer patients and corresponding clinical data were downloaded from the public database from The Cancer Genome Atlas (TCGA). Pyroptosis-related lncRNAs were identified by utilizing a co-expression network of pyroptosis-related genes and lncRNAs. The lncRNA was further screened by univariate Cox regression analysis. Finally, eight pyroptosis-related lncRNA markers were established using least absolute shrinkage and selection operator (Lasso) regression and multivariate Cox regression analyses. Patients were separated into high- and low-risk groups based on the performance value of the median risk score. Patients in the high-risk group had significantly poorer overall survival (OS) than those in the low-risk group (P<0.001). In multivariate Cox regression analysis, the risk score was an independent predictive factor of OS (HR > 1, P<0.01). The areas under the curve (AUCs) of the 3- and 5-year OS in the receiver operating characteristic (ROC) curve were 0.742 and 0.739, respectively. In conclusion, these eight pyroptosis-related lncRNA and their markers may be potential molecular markers and therapeutic targets for bladder cancer patients.
An ultra‐wideband compact design for hyperthermia: Open ridged‐waveguide antenna
Authors: Ghaderi Aram Morteza , Aliakbarian Hadi , Dobšíček Trefná Hana
Published: January 2022

Antennas are the building block of radiative hyperthermia (HT) applicators. This study proposes a compact UWB antenna specifically tailored to meet the requirements for deep HT array applicators. The proposed Open Ridged‐Waveguide (ORWG) antenna, which is an adaptation of a double‐ridged horn antenna, operates over the frequency band of 400–800 MHz. It was experimentally assessed as a single element. The quality metrics considered were reflection coefficient, penetration depth, effective field size (EFS), and mutual coupling. The design shows a 75.5% fractional bandwidth with a reflection coefficient measured to be below −10 dB from 367 up to 820 MHz. The EFS is greater than the physical dimensions of the 3‐by‐4 cm aperture. The mutual coupling between two adjacent elements in the array, measured in a flat phantom arrangement, is lower than −30 dB throughout the entire band. The antenna's performance was further tested in two deep HT scenarios in order to assess the mutual coupling and focussing abilities while in the array configuration. To this end, phased array applicators consisting of 10 and 16 ORWG antennas were simulated in CST, and the results are presented for a homogeneous cylindrical muscle phantom and a realistic patient model, respectively. The good agreement between the simulated and measured results suggests that the antenna can be successfully used for HT.
Evaluation of Suppressiveness of chernozem upon the intake of organic fertilizers under the conditions of a model experiment
Authors: Galaktionova Lyudmila , Vasilieva Tatiana , Yamansarina Gulnur , Lebedev Svyatoslav , Sulimenova Zhanara
Published: January 2022

The problem of maintaining the sanitary function of soils of agroecosystems is one of the main ones, since it determines the danger for reproduction of various types of microorganisms, including human and animal pathogens. Within the study, the authors assessed the number of bacteria (Salmonella enterica and Escherichia coli) in samples of chernozem with introduction of organic fertilizers. The dynamics of the number of Salmonella enterica shows that organic matter in soils contributes to a sharp decrease in their number at the initial stages of biological pollution, and in the long term it contributes to total loss. By the 60th day, Salmonella was found only in the control option of the experiment, but continuation of the experiment showed their total loss on the 80th day. Introduction of organic ameliorants into the chernozem samples led to a decrease in the number of E. coli by the 80th day, but their total loss was not noted.
Effect of light-converting coatings on the growth of Sarepta mustard (Brassica juncea L.) plants colonized by associative microorganisms
Authors: Zakharchenko Natalia , Anisimov Sergey , Dyadishchev Ivan , Ponomarenko Sergey , Khramov Robert
Published: January 2022

The effect of colonization by beneficial associative microorganisms Pseudomonas putida KT 2442 and Rhodococcus erythropolis X5 on the growth of Sarepta mustard (Brassica juncea L.) under a covering light-converting material containing organic photoluminophore, in vitro and in vivo, was investigated. The combined use of microbial colonization and photoluminophore coating led to stimulation of plant growth much stronger (2.4 times more) than separately only photoluminophoric coating (1.3 times) or colonization (2.1 times). These data indicate that when covering materials with photoluminophores are used in agrobiotechnologies, luminescent red light (610-730 nm) induces an increase in biochemical processes not only in plants, but also in microorganisms that supply plants with growth regulators and other useful metabolites. The data obtained are relevant for further study of the photobiological mechanisms of interactions between the plant-microorganism system in agrobiotechnologies.
Antigenic properties of serration bacteriophages
Authors: Molochaeva L.G. , Gayrabekov R.Kh. , Gayrabekova T.I.
Published: January 2022

The genus Serratia is one of the poorly studied among enterobacteria, which explains the interest in these microorganisms and bacteriophages active towards these microorganisms. The aim of this work was to study the antigenic properties of bacteriophages isolated by us from lysogenic cultures of serrations and from environmental objects. The work investigated 16 phages active against bacteria Serratia marcescens, isolated from various sources.
Influence of heat stress on the reproduction rates of sows of the Poltava meat breed, depending on the genotype
Authors: Garskaya Natal`ya , Peretyatko Lidiya , Pozyabin Sergey , Tresnitskiy Sergey , Tresnitskiy Anatoliy
Published: January 2022

The article deals with the issues of the influence of heat stress that occurs in the summer on the indicators characterizing the reproductive qualities. Purebred sows of tested Poltava meat breed of different genotypes were investigated: Group I - individuals-offspring obtained by the method of introductory crossing using the blood of early maturing meat breed (blood content 12.5 %), Group II - individuals obtained by the method of introductory crossing using the blood of the Finnish Landrace (blood content of 12.5 %). It was found that in sows of the Poltava meat breed with the blood of early maturing meat breed, the number of live piglets at birth significantly exceeds the indices of sows with the blood of the Finnish Landrace by 8.27 % at p≤0.05. According to the analysis of Cv, these natural and technological conditions had the greatest influence on the duration of the service period in sows of Group I. Wherein, the least influence of these natural and technological conditions was found for the indicator of the duration of pregnancy. Animals with the blood of an early maturing meat breed were more adaptable to these natural and technological conditions.