bluuebunny/crossref_metadata_2025 huggingface dataset:
Side Effects of Methotrexate and Tumor Necrosis Factor Inhibitors: Differences in Tolerability Among Patients With Psoriatic Arthritis and Rheumatoid Arthritis
Authors: Ogdie Alexis , Maksabedian Hernandez Ervant J. , Shaw Yomei , Stolshek Bradley , Michaud Kaleb
Published: August 2022

Objective

To examine the prevalence of side effects with methotrexate (MTX) and tumor necrosis factor inhibitors (TNFi) among patients with psoriatic arthritis (PsA) and rheumatoid arthritis (RA).

Methods

This retrospective analysis, conducted between January 2000 and January 2019, used data from the FORWARD databank. Adult patients enrolled in the registry with self‐reported and physician‐confirmed diagnosis of PsA or RA were included if they had completed at least one questionnaire before initiating and within 12 months following initiation of MTX or a TNFi. The primary outcome was to examine the prevalence of side effects with MTX and TNFi within the year following treatment initiation. Multivariate logistic regression analysis was performed to examine the association between PsA and RA and the reporting of their side effects.

Results

Overall, 116 patients with PsA and 4247 patients with RA newly initiated MTX, and 124 patients with PsA and 4361 patients with RA newly initiated a TNFi. Patients with PsA were more likely to report MTX‐related side effects than those with RA (44.8% vs. 29.4%), whereas similar proportions of patients with PsA and RA reported TNFi‐related side effects within the first year (24.2% and 22.8%, respectively). Additionally, patients with PsA initiating MTX were more likely to report nausea, vomiting, abdominal pain, depression, and tinnitus than patients with RA initiating MTX or those with PsA or RA initiating a TNFi.

Conclusion

Patients with PsA reported more side effects than patients with RA, and this difference was more pronounced in those receiving MTX versus TNFi.
Regulating the Two‐Stage Accumulation Mechanism of Inactive Lithium for Practical Composite Lithium Metal Anodes
Authors: Zhan Ying‐Xin , Shi Peng , Jin Cheng‐Bin , Xiao Ye , Zhou Ming‐Yue , Bi Chen‐Xi , Li Bo‐Quan , Zhang Xue‐Qiang , Huang Jia‐Qi
Published: August 2022

The rapid formation and accumulation of inactive lithium (Li) are principally responsible for the limited lifespan of high‐energy‐density Li metal batteries. The construction of composite Li metal anode with hosts emerges as a promising strategy to mitigate and accommodate inactive Li. However, the mechanism of inactive Li accumulation in composite Li metal anodes remains unknown, severely plaguing the stability of composite Li metal anodes. Herein, the two‐stage accumulation mechanism of inactive Li in composite Li metal anodes and its correlation with the stability of composite Li metal anodes are comprehensively unveiled in pouch cells by nondestructive 3D X‐ray microscopy. First, inactive Li accumulates in the interior of the host and results in a slowly increased polarization. Second, inactive Li overflows the inside of the host and induces a dramatically increased polarization chiefly responsible for the fast decay of the composite Li metal anodes. The current density and external pressure are identified as key factors to regulate the turning point between the two stages for practical composite Li metal anodes. This work provides original fundamentals for the recognition of inactive Li accumulation in composite Li metal anodes and the design of practical Li metal batteries.
The Rising of Flexible and Elastic Ceramic Fiber Materials: Fundamental Concept, Design Principle, and Toughening Mechanism
Authors: Wu Fan , Qiang Siyu , Zhang Xiaohua , Wang Fei , Yin Xia , Liu Lifang , Yu Jianyong , Liu Yi‐Tao , Ding Bin
Published: August 2022

Traditional ceramic materials are suboptimal for use in complex environments because of their brittleness and sensitivity to flaws. As such, developing flexible and elastic ceramic materials is extremely urgent in frontier domains where high‐frequency vibration or high‐intensity bending environments are inevitable. Fibrillation of ceramic materials is an effective way for the transition of brittleness to flexibility and elasticity, due to its ability to absorb and dissipate stresses through large axial deformations. Here, a comprehensive review of the newly emerging flexible and elastic ceramic fiber materials is presented, starting from an introduction to the fundamental concept, followed by an in‐depth analysis of the relationship between their microstructures and mechanical behaviors, laying emphasis on the toughening mechanism of both individual fibers and fiber assemblies. Finally, current challenges and future development are demonstrated. It is expected that this review may provide meaningful guidance for the advancement of ceramic fiber materials toward better performance and brighter prospects.
Direct Exciton Harvesting from a Bound Triplet Pair
Authors: He Guiying , Parenti Kaia R. , Campos Luis M. , Sfeir Matthew Y.
Published: August 2022

Singlet fission is commonly defined as the generation of two triplet excitons from a single absorbed photon. However, ambiguities within this definition arise due to the complexity of the various double triplet states that exist in SF chromophores and the corresponding interconversion processes. To clarify this process, singlet fission is frequently depicted as sequential two‐step conversion in which a singlet exciton decays into a bound triplet‐pair biexciton state that dissociates into two “free” triplet excitons. However, this model discounts the potential for direct harvesting from the coupled biexciton state. Here, it is demonstrated that individual triplet excitons can be extracted directly from a bound triplet pair. It is demonstrated that due to the requirement for geminate triplet–triplet annihilation in intramolecular singlet fission compounds, unique spectral and kinetic signatures can be used to quantify triplet‐pair harvesting yields. An internal quantum efficiency for triplet exciton transfer from the triplet pair of >50%, limited only by the solubility of the compounds is achieved. The harvesting process is not dependent on the net multiplicity of the triplet‐pair state, suggesting that an explicit, independent dissociation step is not a requirement for using triplet pairs to do chemical or electrical work.
Influence of Tetraphenylbenzene on the OFET Behavior of Triarylamines
Authors: Devibala Panneerselvam , Imran Predhanekar Mohamed , Bhuvanesh Nattamai S.P. , Nagarajan Samuthira
Published: August 2022

A series of new tetraphenylbenzene‐based triarylamines are successfully synthesized by employing the Diels–Alder cycloaddition reaction. The molecules exhibited good solubility in common organic solvents and thermal stability up to 500 °C. Molecular geometry and charge distribution of the molecules are envisioned by density functional theory. The high‐lying highest occupied molecular orbital (HOMO) level (‐5 eV) of compounds enables the p‐channel conductivity. The influence of tetraphenylbenzene units on charge‐delocalization of HOMO, crystalline packing, and organic field‐effect transistor (OFET) characteristics is analyzed. OFETs are fabricated under ambient conditions by solution‐processable method, and the devices displayed promising performance with charge carrier mobility µh up to 0.72 cm2 V−1 s−1, on/off ratio of 107, and lowest VT of −2 V.
Integrating chemical precipitation and membrane separation for phosphorus and ammonia recovery from anaerobic digestate
Authors: Piash KmProttoy Shariar , Anwar Rifat , Shingleton Carley , Erwin Rebecca , Lin Lian‐Shin , Sanyal Oishi
Published: August 2022

This study focuses on developing and demonstrating feasibility of an integrated chemical precipitation and membrane filtration method for recovering phosphorus (P) and ammonia (NH3‐N) in two separate streams from anaerobic digestate generated from municipal wastewater. Nutrient recovery from waste streams creates alternative raw material sources of fertilizers and offers opportunities for reduced energy usage and CO2 emissions compared with their conventional production processes. Using both synthetic and real anaerobic digestates, the effects of ferrous dosage and precipitation pH on P recovery through vivianite precipitation was examined. Fe/P molar ratio 2.1 at circumneutral pH was found as an optimal condition for ~100% P recovery. The P‐free digestate was further treated with polyelectrolyte‐modified nanofiltration (NF) membranes to separate NH3‐N and the organic constituents as a means of N recovery. The surface‐modified membranes demonstrated ~2X NH3‐N/organic carbon selectivity versus commercial NF membranes. This integrated Fe‐enabled chemical precipitation and membrane‐based process demonstrates a unique approach to sustainably recover critical nutrients from wastewater.
Ensembled Deep Learning for the Classification of Human Sperm Head Morphology
Authors: Spencer Lindsay , Fernando Jared , Akbaridoust Farzan , Ackermann Klaus , Nosrati Reza
Published: August 2022

Infertility is a growing global health concern, with male factor infertility contributing to half of all cases. Semen analysis is crucial to infertility diagnostics. However, sperm morphology assessment, as a routine part of analysis, is still performed manually and is thus highly subjective. Here, a stacked ensemble of convolutional neural networks (CNNs) is presented for automated classification of human sperm head morphology. By combining traditional CNN models with modern residual and densely connected architectures using a multi‐class meta‐classifier, classification rate improvements of 2.7% (to 98.2%) and 2.3% (to 63.3%) on the HuSHeM and SCIAN‐MorphoSpermGS (SCIAN) datasets, respectively, are achieved. This considerable improvement in prediction performance is achieved as the meta‐classifier improves upon the individual classification rates of the base models by ≈8.5%. The ensembled deep learning model is a powerful step toward an automated sperm morphology analysis, providing new opportunities to standardize clinical practice and reduce treatment costs to improve patient treatment.
Potential anti neuro‐inflammatory effect of BioCen‐128 in animal models of dementia
Authors: Esquivel Nashelly , García Yenela , Menéndez Roberto , García Teidy E. , Morales Ana R. , Rodríguez Claudio
Published: August 2022

Background

BioCen‐128 is a new active pharmaceutical ingredient composed of a specific bovine thymic fraction of a polypeptide nature. Positive results of similar thymus extracts have been shown to be effective in delaying the processes associated with aging, immunosenescence and Alzheimer's disease (AD), where the inflammation plays an important role. Because of the anti‐inflammatory potential of BioCen‐128, the aim of this study was to evaluate the granuloma model induced by a cotton wool implantation and the model induced by intracerebroventricular (ICV) administration of streptozotocin (STZ).

Method

The experiment was carried out using male OF‐1cenp mice weighing 20 ± 2 g.

Results

Mice administered BioCen‐128 in via the IP route at 5, 10 and 20 mg/kg of corporal weigh showed a decrease in the wet and dry weights of the granuloma, providing evidence of a systemic anti‐inflammatory effect. In the ICV model of STZ, the administration of BioCen‐128 improved cognitive function.

Conclusion

These responses suggested an anti‐neuroinflammatory effect explainable by the action of thymosin β4 and thymosin alfa proteins. The results suggested that BioCen‐128 could be used in the prevention and treatment of some diseases, for example AD, where neuroinflammation is one of the biological events that take place.
Synthesis and antibacterial against Staphylococcus aureus of new ruthenium (II) polypyridine complexes containing pyrene groups
Authors: Ma Yuanyuan , Wei Ming , Wang Xuerong , Jiang Li , Xiong Yanshi , Cheng Jianxin , Tan Yanhui , Liao Xiangwen , Wang Jintao
Published: August 2022

As the treatment of Staphylococcus aureus infection becomes more and more difficult, it is particularly important to develop new antibacterial agents against S. aureus infection. Herein, three ruthenium (II) complexes containing pyrene groups, [Ru (bpy)2(PYIP)](PF6)2 (Ru‐1), [Ru (dtbpy)2(PYIP)](PF6)2 (Ru‐2), and [Ru (ttbpy)2(PYIP)](PF6)2 (Ru‐3) (PYIP = 2‐(pyren‐1‐yl‐1H‐imidazo[4,5‐f][1,10]phenanthroline, bpy = 2,2′‐bipyridine, dtbpy = 4,4′‐dimethyl‐2,2′‐bipyridine and ttbpy = 4,4′‐di‐tert‐butyl‐2,2′‐bipyridine) were designed and synthesized. The antibacterial activities of them against S. aureus were evaluated by determining the minimum inhibitory concentration and minimum bactericidal concentration. The results showed that three ruthenium complexes had excellent antibacterial activities against S. aureus. Among them, Ru‐2 exhibited the best bacteriostatic concentration and bactericidal activities, which was selected for the further antibacterial mechanism exploring. Ru‐2 can obviously inhibit the growth of bacterial biofilm, and the drug resistance results showed that Ru‐2 can effectively prevent the development of bacterial resistance. Moreover, the in vivo antibacterial activity of Ru‐2 was evaluated by establishing mouse infection model with the results that Ru‐2 could effectively inhibit the growth of bacteria and make mouse wounds heal faster.
Comparative treatment costs of risk‐stratified therapy for childhood acute lymphoblastic leukemia in India
Authors: Mungle Tushar , Das Nandana , Pal Saikat , Gogoi Manash Pratim , Das Parag , Ghara Niharendu , Ghosh Debjani , Arora Ramandeep Singh , Bhakta Nickhill , Saha Vaskar , Krishnan Shekhar
Published: August 2022

Background

To evaluate the treatment cost and cost effectiveness of a risk‐stratified therapy to treat pediatric acute lymphoblastic leukemia (ALL) in India.

Methods

The cost of total treatment duration was calculated for a retrospective cohort of ALL children treated at a tertiary care facility. Children were risk stratified into standard (SR), intermediate (IR) and high (HR) for B‐cell precursor ALL, and T‐ALL. Cost of therapy was obtained from the hospital electronic billing systems and details of outpatient (OP) and inpatient (IP) from electronic medical records. Cost effectiveness was calculated in disability‐adjusted life years.

Results

One hundred and forty five patients, SR (50), IR (36), HR (39), and T‐ALL (20) were analyzed. Median cost of the entire treatment for SR, IR, HR, and T‐ALL was found to be $3900, $5500, $7400, and $8700, respectively, with chemotherapy contributing to 25%–35% of total cost. Out‐patient costs were significantly lower for SR (p < 0.0001). OP costs were higher than in‐patient costs for SR and IR, while in‐patient costs were higher in T‐ALL. Costs for non‐therapy admissions were significantly higher in HR and T‐ALL (p < 0.0001), representing over 50% of costs of in‐patient therapy. HR and T‐ALL also had longer durations of non‐therapy admissions. Based on WHO‐CHOICE guidelines, the risk‐stratified approach was very cost effective for all categories of patients.

Conclusions

Risk‐stratified approach to treat childhood ALL is very cost‐effective for all categories in our setting. The cost for SR and IR patients is significantly reduced through decreased IP admissions for both, chemotherapy and non‐chemotherapy reasons.
Interactive texture editing for garment line drawings
Authors: Fukusato Tsukasa , Shibata Ryohei , Noh Seung‐Tak , Igarashi Takeo
Published: August 2022

Adding two‐dimensional (2D) textures to garment line drawings (e.g., cartoon characters) remains challenging in the production pipeline of comics and illustrations since garment line drawings often have self‐occluded wrinkles. Although several techniques that can automatically deform and map 2D texture patterns to 2D line drawings have been proposed, their qualities are insufficient for representing 3D‐like realistic garment designs and manual editing of UV coordinates, which is labor‐intensive. In this article, we introduce an interactive tool to efficiently edit UV coordinates of 2D garment line drawings on the modeling panel with curve and point handles. Our algorithm is simple to integrate into existing image authoring tools. We conduct a user study with novice users and confirm that the proposed tool can effectively handle texture mapping envisioned by the users.
Applications of the ultrasound‐guided nerve block technique for nonanalgesic effects
Authors: Zhang Guang‐Ting , Wang Feng‐Lin , Ran Ying , Liu De‐Xing
Published: August 2022

The nerve block technique guided by ultrasound has been able to accurately block tiny nerves throughout the body in recent years. It has been increasingly used to treat multisystem diseases or analgesia in surgical patients, but the latter accounted for the vast majority of cases. The nonanalgesic effect of nerve blocks is also in wide demand. After searching ultrasound‐guided nerve block works on the PubMed database, we systematically summarized the current clinical application of the nerve block technique and the unique role and related mechanism of nerve block in the prevention and treatment of multi‐system diseases or symptoms, including disorders of the circulatory and respiratory systems, postoperative cognitive dysfunction, immune function, posttraumatic stress disorder, and postoperative digestive system, to put forward the potential prospective application in future and serve as a reference for future research of nerve block therapy in these diseases mentioned.
TCM‐Suite: A comprehensive and holistic platform for Traditional Chinese Medicine component identification and network pharmacology analysis
Authors: Yang Pengshuo , Lang Jidong , Li Hongjun , Lu Jinxiang , Lin Hanyang , Tian Geng , Bai Hong , Yang Jialiang , Ning Kang
Published: August 2022

DNA‐based biological ingredient identification and downstream pharmacology network analysis are commonly used in research for Traditional Chinese Medicine preparations (TCM formulas). Advancements in bioinformatics tools and the accumulation of related data have become driving forces for progress in this field. However, a lack of a platform integrating biological ingredient identification and downstream pharmacology network analysis hinders the deep understanding of TCM. In this study, we developed the TCM‐Suite platform composed of two sub‐databases, Holmes‐Suite and Watson‐Suite, for TCM biological ingredient identification and network pharmacology investigation, respectively, both are among the most complete: In the Holmes‐Suite, we collected and processed six types of marker gene sequences, accounting for 1,251,548 marker gene sequences. In the Watson‐Suite, we curated and integrated a massive number of entries from more than 10 public databases. Importantly, we developed a comprehensive pipeline to integrate TCM biological ingredient identification and downstream network pharmacology research, allowing users to simultaneously identify components of a TCM formula and analyze its potential pharmacology mechanism. Furthermore, we designed search engines and a user‐friendly platform to better search and visualize these rich resources. TCM‐Suite is a comprehensive and holistic platform for TCM‐based drug discovery and repurposing. TCM‐Suite website: http://TCM-Suite.AImicrobiome.cn.
Consistency analysis of the Sysmex UF‐5000 and Atellica UAS 800 urine sedimentation analyzers
Authors: Liu Hai , Li Qing , Zhang Yiduo , Huang Dongyue , Yu Fan
Published: August 2022

Objective

To evaluate the consistency between the results of Sysmex UF‐5000 system and Atellica® UAS 800 Urine Sediment Analyzer.

Methods

A total of 636 random urine samples were collected from inpatients and outpatients from March to September 2021. Urine was collected for analysis by the Sysmex UF‐5000, Atellica UAS 800 systems, and manual microscopic examination. The results of manual microscopy as the gold standard, the coincidence rate and false‐negative rate of Sysmex UF‐5000 and Atellica UAS 800 systems in the detection of red blood cells, white blood cells, and casts were calculated.

Results

The coincidence rates of red blood cells, white blood cells, and cast, crystals, and other sediment components for the Sysmex UF‐5000 system were 85.37%, 87.89%, 91.67%, 88.36%, and 71.86%. The false‐negative rates were 28.47%, 3.75%, 68.97%, 37.25%, and 30.63%. The coincidence rates of red blood cells, white blood cells, and cast, crystals, and other sediment components for the Atellica UAS 800 system were 85.06%, 90.25%, 59.12%, 91.67%, and 67.45% and the false‐negative rates were 60.42%, 21.25%, 36.21%, 19.64%, and 35.80%.

Conclusion

Two instruments are superior in the detection of red blood cells and white blood cells. The Atellica UAS 800 system with image review has a good coincidence rate in the identification of crystals and casts. The identification of various sediment components in urine by both instruments meets the laboratory requirements. Two instruments with different methodologies have their own characteristics, and we should reasonably use them according to the conditions of the laboratory.
Decadal trends in soil and grain microelement concentrations indicate mainly favourable development in Finland
Authors: Soinne Helena , Kurkilahti Mika , Heikkinen Jaakko , Eurola Merja , Uusitalo Risto , Nuutinen Visa , Keskinen Riikka
Published: August 2022

Background

Observations on declining nutrient contents in crops have raised concerns about soil fertility and food quality. Long‐term monitoring data are valuable in exposing trends and indicating the need for interventions.

Aims

This study aimed to assess the soil microelement status and grain nutritional value on a national scale in Finland over the last decades.

Methods

Using nationwide sets of samples and time‐series datasets, temporal trends in readily available zinc, copper, boron, iron, manganese, cadmium, molybdenum, nickel, aluminium, cobalt, and lead in cultivated soils of Finland during 1974–2018 and the corresponding total element concentrations in grains of oats and barley during 1988–2019 were determined.

Results

In soil, initially increasing trends of element concentrations tended to prevalently level off towards the end of the study period. A decreasing trend was observed only for cadmium and zinc in coarse soils. In grains of barley and oat, aluminium and lead concentrations decreased between 1988 and 2019. Barley grains exhibited a decreasing trend in manganese and cobalt, whereas an increasing trend was detected for copper and iron in oats.

Conclusions

No alarming decreases in micronutrient contents in agricultural soils or cereal grains were detected over the study period. In grains, the concentrations of potentially toxic elements decreased. Although the nationwide micronutrient status in Finland is on average satisfactory or good, local micronutrient deficiencies may occur.
One‐Step Synthesis of Dynamically Shaped Stiff Nanorods Using Soft Silicone Materials to Control Water Repulsion and Collection
Authors: Chen Kangwei , Liu Shanqiu , Lau Yuen‐Yee , Seeger Stefan
Published: August 2022

One‐dimensional silicone nanostructures, such as filaments, wires, and tubes, have attracted significant attention, owing to their remarkable application capabilities in a large range of material and surface science. However, the soft mechanical properties of silicone cause vulnerability and irregularity in the synthesized structures, which limits their applications. Herein, a simple, solvent‐free, and efficient dynamic Droplet Assisted Growth and Shaping (d‐DAGS) strategy is proposed for the one‐step synthesis and in situ control of the shape of silicone nanostructures. The special designed bamboo‐shaped silicone nanorods (SNRs) that are produced by the repetitive dynamic regulation of growth conditions, concomitant with the periodic purging and injection of precursors, exhibit highly‐regular and tunable structure with a specific number of segments, indicating that they can be tailor‐made according to the requirements of various properties. The enhanced mechanical stiffness and chemical durability strongly support their excellent performances in water‐resistance under both static and dynamic wetting conditions. The SNRs significantly promote buoyancy and self‐cleaning properties; and exhibit very high water‐harvesting efficiency compared with existing designs. Notably, the well‐structured ultra‐long rods with an ultrahigh aspect ratio (≈176) can also be fabricated by the d‐DAGS method, and they can remain standing straight upwards and regular, even though they consist of flexible silicone.
DNA as in‐formation
Authors: Kaufmann Mareile
Published: August 2022

Traces are fundamental vectors of information. This is the first of seven forensic principles formulated by the 2022 Sydney declaration. To better understand the trace as information, this article proposes the notion of in‐formation. DNA is matter in becoming. DNA changes as it travels across forensic sites and domains. New formations occur as humans, technologies and DNA interact. Understanding DNA as in‐formation is of particular relevance vis‐à‐vis the increase of algorithmic technologies in the forensic sciences and the rendering of DNA into (big) data. The concept can help identifying, acknowledging and communicating those moments of techno‐scientific interaction that require discretion and methodical decisions. It can assist in tracing what form DNA will take and what consequences this may have.

This article is categorized under:

Crime Scene Investigation > From Traces to Intelligence and Evidence

Forensic Biology > Ethical and Social Implications

Forensic Biology > Forensic DNA Technologies
Empowering users to control ads and its effects on website stickiness
Authors: Werner Dominick , Adam Martin , Benlian Alexander
Published: August 2022

Website providers find it increasingly difficult to convince users to accept advertisements (ads) on their websites. In this study, we investigate ad quantity customization (AQC) as a practice to counter these challenges. AQC refers to the technological means through which website providers enable users to determine the amount of ads displayed on their websites. Drawing on psychological empowerment theory, we demonstrate in an online experiment with 395 participants that AQC can pay off: A website with AQC elicits significantly higher website stickiness than a website without AQC, even if the website without AQC contains no ads at all. We furthermore find that perceived empowerment, informational fit-to-task and perceived enjoyment mediate the effect of AQC on website stickiness. Our study thus contributes to Information Systems research on web customization and offers website providers actionable recommendations to keep their users involved, interested and retained.
Mud pumping in high-speed railway: in-situ soil core test and full-scale model testing
Authors: Wan Zhangbo , Bian Xuecheng , Chen Yunmin
Published: August 2022

Mud pumping induced by moving train loads on rainwater-intruded roadbed causes intensive track vibrations and threatens safety of high-speed trains. In this paper, a vehicle–track–subgrade finite element model was established to analyze the dynamic responses of a ballastless track, and results showed that the concrete base and roadbed were detached because of the whipping effect arising from the rainwater intrusion channel. An in-situ soil core test showed that the intruded rainwater accumulated in roadbed to form standing water and saturated the roadbed. The flapping action of the concrete base caused by the whipping effect led to mud formation mixed with fine particles and rainwater, which migrated upward under the pore-water pressure (PWP) gradient. Mud pumping resulted from continuous particle migration in the saturated roadbed under moving train loads: under normal roadbed condition, coarse and fine particles were uniformly distributed in the roadbed; in early period of mud pumping, fine particles migrated downward to bottom of the roadbed because of the rainwater infiltration flow; in middle stage of mud pumping, fine particles migrated upward and gathered at the roadbed surface under PWP gradient; in later period of mud pumping, fine particles were entrained and removed with the dissipation of excess PWP. Moreover, a full-scale physical model was established to reproduce mud pumping, and polyurethane injection remediation against mud pumping was validated on this physical model. The remediation method was applied to an in-situ mud pumping. The deviation of the vertical track profile reduced remarkably and remained at a low level within half a year, showing a good long-term service performance of the polyurethane remediated roadbed.
Connecting Hodge and Sakaguchi-Kuramoto through a mathematical framework for coupled oscillators on simplicial complexes
Authors: Arnaudon Alexis , Peach Robert L. , Petri Giovanni , Expert Paul
Published: August 2022

Phase synchronizations in models of coupled oscillators such as the Kuramoto model have been widely studied with pairwise couplings on arbitrary topologies, showing many unexpected dynamical behaviors. Here, based on a recent formulation the Kuramoto model on weighted simplicial complexes with phases supported on simplices of any order k, we introduce linear and non-linear frustration terms independent of the orientation of the k + 1 simplices, as a natural generalization of the Sakaguchi-Kuramoto model to simplicial complexes. With increasingly complex simplicial complexes, we study the the dynamics of the edge simplicial Sakaguchi-Kuramoto model with nonlinear frustration to highlight the complexity of emerging dynamical behaviors. We discover various dynamical phenomena, such as the partial loss of synchronization in subspaces aligned with the Hodge subspaces and the emergence of simplicial phase re-locking in regimes of high frustration.
Non-resonant exceptional points as enablers of noise-resilient sensors
Authors: Tuxbury William , Kononchuk Rodion , Kottos Tsampikos
Published: August 2022

Exceptional point degeneracies (EPDs) in the resonant spectrum of non-Hermitian systems have been recently employed for sensing due to the sublinear response of the resonance splitting when a perturbant interacts with the sensor. The sublinear response provides high sensitivity to small perturbations and a large dynamic range. However, the resonant-based EPD sensing abides to the resolution limit imposed by the resonant quality factors and by the signal-to-noise ratio reduction due to gain-elements. Moreover, it is susceptible to local mechanical disturbances and imperfections. Here, we propose a passive non-resonant (NR) EPD-sensor that is resilient to losses, local cavity variations, and noise. The NR-EPD describes the coalescence of Bloch eigenmodes associated with the spectrum of transfer matrices of periodic structures. This coalescence enables scattering cross-section cusps with a sublinear response to small detunings away from an NR-EPD. We show that these cusps can be utilized for enhanced noise-resilient sensing.
Synthesis, biological evaluation and computational studies of pyrazole derivatives as Mycobacterium tuberculosis CYP121A1 inhibitors
Authors: Alshabani Lama A. , Kumar Amit , Willcocks Sam J. , Srithiran Gayathri , Bhakta Sanjib , Estrada D. Fernando , Simons Claire
Published: August 2022

Pyrazole derivatives were evaluated using UV-vis and protein-detected 1D 19F-NMR (Mtb CYP121A1 binding affinity), antimycobacterial determination (MIC) and computational studies illustrating the potential anti-TB properties of the compounds.
Review of sample-based methods used in an analysis of multistable dynamical systems
Authors: Leszczyński Maciej , Perlikowski Przemysław , Burzyński Tomasz , Kowalski Tomasz M. , Brzeski Piotr
Published: August 2022

Sample-based methods are a useful tool in analyzing the global behavior of multi-stable systems originating from various branches of science. Classical methods, such as bifurcation diagrams, Lyapunov exponents, and basins of attraction, often fail to analyze complex systems with many coexisting attractors. Thus, we have to apply a different strategy to understand the dynamics of such systems. We can distinguish basin stability, extended basin stability, constrained basin stability, basin entropy, time dependent stability margin, and survivability among sample-based methods. Each method has specific properties and gives us important data about the behavior of the analyzed system. However, none of the methods provides complete information. Hence, to have a full overview of the dynamics, one has to collect data from two or more approaches. This study describes the sample-based methods and presents their advantages and disadvantages for the archetypal nonlinear oscillator with multiple coexisting attractors. Hence, we give helpful information in selecting the best method or methods for analyzing the dynamical system.
Taylor's frozen-in hypothesis for magnetohydrodynamic turbulence and solar wind
Authors: Verma Mahendra K.
Published: August 2022

In hydrodynamics, Taylor's frozen-in hypothesis connects the wavenumber spectrum to the frequency spectrum of a time series measured in real space. In this paper, we generalize Taylor's frozen-in hypothesis to magnetohydrodynamic turbulence. We analytically derive one-point two-time correlation functions for Elsässer variables whose Fourier transform yields the corresponding frequency spectra, E±(f). We show that for isotropic turbulence, E±(f)∝|U0 ∓ B0|2/3 in the Kolmogorov-like model and E±(f)∝(B0|U0 ∓ B0|)1/2 in the Iroshnikov–Kraichnan model, where U0 and B0 are the mean velocity and mean magnetic fields, respectively, and f±=k|U0 ∓ B0|/(2π) are the respective frequencies for a wavenumber k. However, for anisotropic magnetohydrodynamic turbulence, E±(f)∝B02/3 when U0≪B0. These results are important for the analysis of solar wind, in particular, those measured by Parker Solar Probe.
Stability preserving data-driven models with latent dynamics
Authors: Luo Yushuang , Li Xiantao , Hao Wenrui
Published: August 2022

In this paper, we introduce a data-driven modeling approach for dynamics problems with latent variables. The state-space of the proposed model includes artificial latent variables, in addition to observed variables that can be fitted to a given data set. We present a model framework where the stability of the coupled dynamics can be easily enforced. The model is implemented by recurrent cells and trained using backpropagation through time. Numerical examples using benchmark tests from order reduction problems demonstrate the stability of the model and the efficiency of the recurrent cell implementation. As applications, two fluid–structure interaction problems are considered to illustrate the accuracy and predictive capability of the model.
Imaginary-time open-chain path-integral approach for two-state time correlation functions and applications in charge transfer
Authors: Liu Zengkui , Xu Wen , Tuckerman Mark E. , Sun Xiang
Published: August 2022

Quantum time correlation functions (TCFs) involving two states are important for describing nonadiabatic dynamical processes such as charge transfer (CT). Based on a previous single-state method, we propose an imaginary-time open-chain path-integral (OCPI) approach for evaluating the two-state symmetrized TCFs. Expressing the forward and backward propagation on different electronic potential energy surfaces as a complex-time path integral, we then transform the path variables to average and difference variables such that the integration over the difference variables up to the second order can be performed analytically. The resulting expression for the symmetrized TCF is equivalent to sampling the open-chain configurations in an effective potential that corresponds to the average surface. Using importance sampling over the extended OCPI space via open path-integral molecular dynamics, we tested the resulting path-integral approximation by calculating the Fermi’s golden rule CT rate constant within a widely used spin-boson model. Comparing with the real-time linearized semiclassical method and analytical result, we show that the imaginary-time OCPI provides an accurate two-state symmetrized TCF and rate constant in the typical turnover region. It is shown that the first bead of the open chain corresponds to physical zero-time and that the endpoint bead corresponds to final time t; oscillations of the end-to-end distance perfectly match the nuclear mode frequency. The two-state OCPI scheme is seen to capture the tested model’s electronic quantum coherence and nuclear quantum effects accurately.
High-repetition-rate, multi-MeV deuteron acceleration from converging heavy water microjets at laser intensities of 1021 W/cm2
Authors: Treffert F. , Curry C. B. , Chou H.-G. J. , Crissman C. J. , DePonte D. P. , Fiuza F. , Glenn G. D. , Hollinger R. C. , Nedbailo R. , Park J. , Schoenwaelder C. , Song H. , Wang S. , Rocca J. J. , Roth M. , Glenzer S. H. , Gauthier M.
Published: August 2022

We demonstrate high repetition-rate deuteron acceleration by irradiating a continuously flowing, ambient temperature liquid heavy water jet with the high-intensity ALEPH laser. The laser delivered up to 5.5 J (120 TW, 1.2 × 1021 W/cm2) laser energy on target at 0.5 Hz. A high repetition-rate Thomson parabola spectrometer measured the deuteron beam energy spectra on each shot for 60 sequential shots (two minutes). Peak fluxes of 5×1010 deuterons/sr/pulse, corresponding to an average flux of 1.5×1012 deuterons/sr/min, were demonstrated with deuteron energies reaching up to 4.4 MeV. High shot-to-shot stability is observed up to 40%–50% of the maximum deuteron energy. These deuteron beams are suited for fast neutron production through deuteron breakup in a converter yielding energies similar to deuteron–deuteron (D–D, 2.45 MeV) fusion reactions of importance for material damage studies.
Structural and chemical changes in He+ bombarded polymers and related performance properties
Authors: Kosińska Anna , Jagielski Jacek , Bieliński Dariusz M. , Urbanek Olga , Wilczopolska Magdalena , Frelek-Kozak Małgorzata , Zaborowska Agata , Wyszkowska Edyta , Jóźwik Iwona
Published: August 2022

The paper presents the effect of He+ ion irradiation of selected polymeric materials: poly(tetrafloroethylene), poly(vinyl chloride), ethylene-propylene-diene monomer rubber, nitrile-butadiene rubber, styrene-butadiene rubber, and natural rubber, on their chemical composition, physical structure, and surface topography. The modification was studied by scanning electron microscopy, Fourier transform infrared spectroscopy, Raman spectroscopy, and differential scanning calorimetry. Irradiation with a high-energy ion beam leads to the release of significant amounts of hydrogen from the surface layer, resulting in an increase in cross-linking that manifests itself by shrinkage of the surface layer, which in turn causes significant stresses leading to the formation of a crack pattern on the polymer surface. The development of microroughness is combined with oxidation. Shallow range of the ions makes the modified layer “anchored” in the substrate via bulk macromolecules, assuring its good durability and adhesion to elasto-plastic substrates. Changes in the surface layer were manifested by the modification of functional properties of the polymers. The hardness of the layer subjected to the ion irradiation process increases even up to 10 times. After modification with the ion beam, a significant decrease in frictional forces was also observed, even up to 5–6 times. The microscopic analysis of wear traces confirmed that the wear resistance also significantly increased. However, ion bombardment of polymeric materials caused a reduction in their mechanical strength (despite the range limited to the surface layer of the order of micrometers) and electrical resistance, which has a negative impact on the possibility of using the materials in some applications.
Narrow bandgap potassium titanate-molybdate-based d ferroelectrics
Authors: Shafir Or , Grinberg Ilya
Published: August 2022

The bulk photovoltaic effect observed in ferroelectric materials can enable photovoltaic performance beyond the Shockley–Queisser limit of efficiency. This requires the use of ferroelectrics with strong polarization and low bandgap (Eg) that are typically contradictory in the common perovskite oxides ferroelectrics. Here, we use first-principles calculations to study the KNbO3–K(Ti0.5Mo0.5)O3 (KNTM) solid solutions as possible narrow-gap ferroelectric materials. KTM, the end-member of the recently discovered KNTM solid solution system, maintains a ferroelectric polarization similar to that of other K-based systems due to its d0 configuration at the B-site. The substitution of Nb in KTM reduces Eg from 2.9 of KTM to 1.83 eV for an unstrained system and 1.7 eV for a compressively strained system, while maintaining ferroelectricity. The combination of narrow Eg, strong ferroelectricity, low toxicity, and abundance of the constituent elements make Nb-substituted KTM a promising candidate material for photoferroelectric applications.
Gate-free tunable 2D/2D heterojunction composed of MoTe2 and 2D electron gas at the surface of KTaO3
Authors: Qiu Jie , Li Ju , Zhou Xiaowei , Li Bocheng , Tian Xiaochen , Jiang Yucheng , Zhao Run , Zhao Meng , Gao Ju , Xing Jie , Liu Guozhen
Published: August 2022

The hybrid integration of oxide two-dimensional electron gases (2DEGs) and 2D layered transition-metal dichalcogenides is expected to exhibit diverse physical phenomena, which cannot appear in either material alone. Here, we demonstrate a gate-free tunable 2D/2D heterojunction composed of MoTe2 and 2DEG at the surface of KTaO3. The combination of metallic MoTe2 and n-type 2DEG together forms a Schottky diode with a large on/off current ratio of 104 at room temperature. Moreover, the MoTe2/2DEG diode exhibits largely tunable electrical transport characteristics without gate voltages. By applying bias voltages, the diode shows tunable transport properties ranging from insulating to excellent rectifying behaviors. The bias-voltage-dependent modulation dominantly originates from the tunable Schottky barrier width controlled by the carrier density of the 2DEG. Our results pave a way for the development of 2D nanoelectronic devices such as multi-bit memories and bias sensors.
Strain-tunable magnetic transition in few-layer 1T-VSe2
Authors: Sun Jiaming , Jia Xiaofang , Wang Yuyan , Zhang Junying
Published: August 2022

Two-dimensional vanadium diselenide (VSe2) has attracted extensive interest due to its room-temperature ferromagnetism with many potential applications. However, the intrinsic ferromagnetic (FM) ordering is confined to monolayers, which hinders their practical use because of fabrication difficulty. In this work, the effect of strain on magnetic properties of few-layer 1T-VSe2 is studied based on first-principles calculations. Spin-polarized density functional theory calculations indicate that the monolayer is intrinsic FM, while the bilayer, trilayer, and quadlayer 1T-VSe2 are intralayer FM but interlayer anti-ferromagnetic (AFM). The results predict that few-layer 1T-VSe2 can undergo a prominent magnetic transition from AFM to FM and an enhancement of magnetic moment by introducing in-plane tensile strain above 2%. A universal model is proposed to explain the enhanced FM that the structural deformation leads to symmetry breaking of the interlayer orbital hybridization, thus inducing FM of the whole system through an intralayer super-exchange effect. It is further verified on broader materials, including manganese and vanadium chalcogenides. This study provides a feasible route for achieving and modulating FM in two-dimensional materials, which have great significance in practical spintronic devices.
Influence of non-inert electrode thickness on the performance of complementary resistive switching in AlOxNy-based RRAM
Authors: Duan Yiwei , Gao Haixia , Qian Mengyi , Sun Yuxin , Wu Shuliang , Guo Jingshu , Yang Mei , Ma Xiaohua , Yang Yintang
Published: August 2022

This Letter investigates the effect of non-inert electrode thickness on the performance of complementary resistive switching (CRS). Five devices with different Ta electrode thicknesses (0, 2, 5, 10, and 20-nm) are fabricated. For devices with 2, 5, and 10-nm electrode thicknesses, CRS behavior can be obtained through an evolution process, while devices with 0 and 20-nm Ta electrode thicknesses always maintain stable bipolar resistive switching behavior. By analyzing the evolution process and current conduction mechanisms, the influence of non-inert electrode thickness on the performance of CRS is studied, and different oxidation degrees of a non-inert electrode are used to explain the different resistive switching performance in these devices. Aside from that, the model is verified by applying an asymmetric voltage sweeping method. This paper further clarifies the physical mechanism of CRS behavior in non-inert electrode resistive random access memory and provides a way to optimize the performance of CRS behavior.
Reduction of nanoscopic dynamics in the zwitterionic membrane by salt
Authors: Sharma V. K. , Mamontov E.
Published: August 2022

The effect of addition of lithium chloride on the lateral diffusivity and internal motion of lipid in unilamellar dimyristoylphosphatidylcholine (DMPC) vesicles was investigated using elastic incoherent neutron scattering, quasielastic incoherent neutron scattering, and differential scanning calorimetry. A shift of the main phase transition to a higher temperature indicated a broader temperature range of the thermodynamic stability of the ordered phase resulting from the salt addition. A universal stiffening effect exerted by lithium chloride on the lipid membrane manifested itself in (1) lower mean-square displacement and (2) decreasing diffusivities, both lateral and localized, in both the ordered gel and the disordered fluid phase state. A strong reduction in the lateral lipid diffusivity was likely primarily due to the strong interaction of Li+ ions with the head group of the zwitterionic DMPC lipid and was consistent with the previous reports of the effect of a salt addition on the self-diffusivity of zwitterionic lipids in a membrane. Besides the whole lipid long-range diffusivity, quasielastic neutron scattering allowed measurements of the local internal motion of the lipid. Despite the weak interaction between the ions and the uncharged lipid tails, in both the ordered and the disordered phase states, the local diffusivity of the lipid tails decreased by a factor of 2.2 in the presence of the salt, which closely correlates with the decrease in the diffusivity (that is, an increase in viscosity) of water in the LiCl salt solution by a factor of 2.4. Regardless of the phase state of the membrane, the decrease in the local diffusivity of the lipid seems to mimic the decrease in the diffusivity (which is inverse of the increase of viscosity) of the solvents.
Positive and negative secondary species emission behavior for an ionic liquid electrospray
Authors: Uchizono N. M. , Marrese-Reading C. , Arestie S. M. , Collins A. L. , Ziemer J. K. , Wirz R. E.
Published: August 2022

Ionic liquid electrosprays can emit a polydisperse population of charged droplets, clusters, and molecular ions at high velocity. Secondary species emission (SSE) is a term that encompasses many concurrent impact and emission phenomena that occur when electrosprayed primary species strike a surface, resulting in a diverse population of secondary electrons, ions, clusters, and droplets. This Letter examines the spatial dependency of SSE behavior across an [EMI]Im electrospray beam using microscopy of the target surface and experimental quantification of SSE yields as a function of the plume angle. Microscopy of the beam target confirms our prediction of shock-induced desorption when operating at elevated beam voltages. SSE yield measurements show that, upon impact with a surface, incident primary species that consist of entirely positive charge will produce both positive and negative SSE. Furthermore, the results show that the SSE yields for an ionic liquid electrospray have strong spatial and energy dependencies. These findings have significant implications for understanding and predicting ionic liquid electrospray thruster lifetime and performance and focused ion beam applications.