bluuebunny/crossref_metadata_2025 huggingface dataset:
Topological feature engineering for machine learning based halide perovskite materials design
Authors: Anand D. Vijay , Xu Qiang , Wee JunJie , Xia Kelin , Sum Tze Chien
Published: September 2022

Accelerated materials development with machine learning (ML) assisted screening and high throughput experimentation for new photovoltaic materials holds the key to addressing our grand energy challenges. Data-driven ML is envisaged as a decisive enabler for new perovskite materials discovery. However, its full potential can be severely curtailed by poorly represented molecular descriptors (or fingerprints). Optimal descriptors are essential for establishing effective mathematical representations of quantitative structure-property relationships. Here we reveal that our persistent functions (PFs) based learning models offer significant accuracy advantages over traditional descriptor based models in organic-inorganic halide perovskite (OIHP) materials design and have similar performance as deep learning models. Our multiscale simplicial complex approach not only provides a more precise representation for OIHP structures and underlying interactions, but also has better transferability to ML models. Our results demonstrate that advanced geometrical and topological invariants are highly efficient feature engineering approaches that can markedly improve the performance of learning models for molecular data analysis. Further, new structure-property relationships can be established between our invariants and bandgaps. We anticipate that our molecular representations and featurization models will transcend the limitations of conventional approaches and lead to breakthroughs in perovskite materials design and discovery.
Explainable machine learning in materials science
Authors: Zhong Xiaoting , Gallagher Brian , Liu Shusen , Kailkhura Bhavya , Hiszpanski Anna , Han T. Yong-Jin
Published: September 2022

Machine learning models are increasingly used in materials studies because of their exceptional accuracy. However, the most accurate machine learning models are usually difficult to explain. Remedies to this problem lie in explainable artificial intelligence (XAI), an emerging research field that addresses the explainability of complicated machine learning models like deep neural networks (DNNs). This article attempts to provide an entry point to XAI for materials scientists. Concepts are defined to clarify what explain means in the context of materials science. Example works are reviewed to show how XAI helps materials science research. Challenges and opportunities are also discussed.
Inferring topological transitions in pattern-forming processes with self-supervised learning
Authors: Abram Marcin , Burghardt Keith , Ver Steeg Greg , Galstyan Aram , Dingreville Remi
Published: September 2022

The identification of transitions in pattern-forming processes are critical to understand and fabricate microstructurally precise materials in many application domains. While supervised methods can be useful to identify transition regimes, they need labels, which require prior knowledge of order parameters or relevant microstructures describing these transitions. Instead, we develop a self-supervised, neural-network-based approach that does not require predefined labels about microstructure classes to predict process parameters from observed microstructures. We show that assessing the difficulty of solving this inverse problem can be used to uncover microstructural transitions. We demonstrate our approach by automatically discovering microstructural transitions in two distinct pattern-forming processes: the spinodal decomposition of a two-phase mixture and the formation of binary-alloy microstructures during physical vapor deposition of thin films. This approach opens a path forward for discovering unseen or hard-to-discern transitions and ultimately controlling complex pattern-forming processes.
Strategy to minimize bending strain interference for flexible acoustic wave sensing platform
Authors: Zhou Jian , Ji Zhangbin , Guo Yihao , Liu Yanghui , Zhuo Fengling , Zheng Yuanjin , Gu Yuandong , Fu YongQing , Duan Huigao
Published: September 2022

There are great concerns for sensing using flexible acoustic wave sensors and lab-on-a-chip, as mechanical strains will dramatically change the sensing signals (e.g., frequency) when they are bent during measurements. These strain-induced signal changes cannot be easily separated from those of real sensing signals (e.g., humidity, ultraviolet, or gas/biological molecules). Herein, we proposed a new strategy to minimize/eliminate the effects of mechanical bending strains by optimizing off-axis angles between the direction of bending deformation and propagation of acoustic waves on curved surfaces of layered piezoelectric film/flexible glass structure. This strategy has theoretically been proved by optimization of bending designs of off-axis angles and acoustically elastic effect. Proof-of-concept for humidity and ultraviolet-light sensing using flexible SAW devices with negligible interferences are achieved within a wide range of bending strains. This work provides the best solution for achieving high-performance flexible acoustic wave sensors under deformed/bending conditions.
Fundamental limits of quantum error mitigation
Authors: Takagi Ryuji , Endo Suguru , Minagawa Shintaro , Gu Mile
Published: September 2022

The inevitable accumulation of errors in near-future quantum devices represents a key obstacle in delivering practical quantum advantages, motivating the development of various quantum error-mitigation methods. Here, we derive fundamental bounds concerning how error-mitigation algorithms can reduce the computation error as a function of their sampling overhead. Our bounds place universal performance limits on a general error-mitigation protocol class. We use them to show (1) that the sampling overhead that ensures a certain computational accuracy for mitigating local depolarizing noise in layered circuits scales exponentially with the circuit depth for general error-mitigation protocols and (2) the optimality of probabilistic error cancellation among a wide class of strategies in mitigating the local dephasing noise on an arbitrary number of qubits. Our results provide a means to identify when a given quantum error-mitigation strategy is optimal and when there is potential room for improvement.
Audiovisual temporal processing in adult patients with first-episode schizophrenia and high-functioning autism
Authors: Zhou Han-yu , Lai Iris Y. S. , Hung Karen S. Y. , Chan Mandy K. M. , Ho Zoe T. Y. , Lam Jenny P. H. , Lui Simon S. Y. , Chan Raymond C. K.
Published: September 2022

Schizophrenia and autism spectrum disorder (ASD) are both neurodevelopmental disorders with altered sensory processing. Widened temporal binding window (TBW) signifies reduced sensitivity to detect stimulus asynchrony, and may be a shared feature in schizophrenia and ASD. Few studies directly compared audiovisual temporal processing ability in the two disorders. We recruited 43 adult patients with first-episode schizophrenia (FES), 35 average intelligent and verbally-fluent adult patients with high-functioning ASD and 48 controls. We employed two unisensory Temporal Order Judgement (TOJ) tasks within visual or auditory modalities, and two audiovisual Simultaneity Judgement (SJ) tasks with flash-beeps and videos of syllable utterance as stimuli. Participants with FES exhibited widened TBW affecting both speech and non-speech processing, which were not attributable to altered unisensory sensory acuity because they had normal visual and auditory TOJ thresholds. However, adults with ASD exhibited intact unisensory and audiovisual temporal processing. Lower non-verbal IQ was correlated with larger TBW width across the three groups. Taking our findings with earlier evidence in chronic samples, widened TBW is associated with schizophrenia regardless illness stage. The altered audiovisual temporal processing in ASD may ameliorate after reaching adulthood.
Strategy to improve Cu-BTC metal-organic frameworks performance in removal of Rhodamine B: MD and WT-MtD simulations assessment
Authors: Razavi Leila , Raissi Heidar , Hashemzadeh Hassan , Farzad Farzaneh
Published: September 2022

With industry progress, environmental problems have begun to threaten human health. Among them, water pollution is closely related to human life and has attracted researchers’ attention. Hence, coping strategies for these pollutants have become a priority nowadays. Here, we carried out the molecular dynamics (MD) and well-tempered metadynamics simulations to evaluate the interaction of Rhodamine B (Rh B) with a copper (II)-benzene-1,3,5-tricarboxylate metal-organic framework (Cu-BTC/MOF). To design a more efficient dye removal platform, the effect of the -NH2, -OH, and -NO2 functional groups on the efficiency of Cu-BTC/MOF in the adsorption of Rh B is investigated. It is found that the interaction energy of Rh B with -NH2-MOF, -OH-MOF, and -NO2-MOF is about −79.98, −121.87, and −365.55 kJ mol−1, respectively, more than the pristine case. This observation confirms that the functionalization strategy can enhance the Cu-BTC/MOF efficiency. The obtained free energy (FE) values from the metadynamics simulation indicated that for adsorption of Rh B on pristine, -NH2-MOF, -OH-MOF, and -NO2-MOF, the global minimums are located about at −220.47, −234.75, −236.09, and −259.01 kJ mol−1, respectively. The obtained results show that in the two-dimensional FE surfaces, the most stable complex with Rh B belongs to the MOF-NO2 system.
Osteogenesis in human periodontal ligament stem cell sheets is enhanced by the protease-activated receptor 1 (PAR1) in vivo
Authors: Alves Tomaz , Gasparoni Letícia M. , Balzarini Danilo , Albuquerque-Souza Emmanuel , de Oliveira Victhor , Rovai Emanuel S. , da Silva Jose , Huamán-Mendoza Aldrin , Catalani Luiz H. , Sipert Carla R. , Holzhausen Marinella
Published: September 2022

Human periodontal ligament stem cells (PDLSCs) have been studied as a promising strategy in regenerative approaches. The protease-activated receptor 1 (PAR1) plays a key role in osteogenesis and has been shown to induce osteogenesis and increase bone formation in PDLSCs. However, little is known about its effects when activated in PDLSCs as a cell sheet construct and how it would impact bone formation as a graft in vivo. Here, PDLSCs were obtained from 3 patients. Groups were divided into control, osteogenic medium and osteogenic medium + PAR1 activation by TFLLR-NH2 peptide. Cell phenotype was determined by flow cytometry and immunofluorescence. Calcium deposition was quantified by Alizarin Red Staining. Cell sheet microstructure was analyzed through light, scanning electron microscopy and histology and transplanted to Balb/c nude mice. Immunohistochemistry for bone sialoprotein (BSP), integrin β1 and collagen type 1 and histological stains (H&E, Van Giesson, Masson’s Trichrome and Von Kossa) were performed on the ex-vivo mineralized tissue after 60 days of implantation in vivo. Ectopic bone formation was evaluated through micro-CT. PAR1 activation increased calcium deposition in vitro as well as BSP, collagen type 1 and integrin β1 protein expression and higher ectopic bone formation (micro-CT) in vivo.
Differentiating central nervous system infection from disease infiltration in hematological malignancy
Authors: Lim Emma A. , Ruffle James K. , Gnanadurai Roshina , Lee Heather , Escobedo-Cousin Michelle , Wall Emma , Cwynarski Kate , Heyderman Robert S. , Miller Robert F. , Hyare Harpreet
Published: September 2022

Hematological malignancies place individuals at risk of CNS involvement from their hematological disease and opportunistic intracranial infection secondary to disease-/treatment-associated immunosuppression. Differentiating CNS infection from hematological disease infiltration in these patients is valuable but often challenging. We sought to determine if statistical models might aid discrimination between these processes. Neuroradiology, clinical and laboratory data for patients with hematological malignancy at our institution between 2007 and 2017 were retrieved. MRI were deep-phenotyped across anatomical distribution, presence of pathological enhancement, diffusion restriction and hemorrhage and statistically modelled with Bayesian-directed probability networks and multivariate logistic regression. 109 patients were studied. Irrespective of a diagnosis of CNS infection or hematological disease, the commonest anatomical distributions of abnormality were multifocal-parenchymal (34.9%), focal-parenchymal (29.4%) and leptomeningeal (11.9%). Pathological enhancement was the most frequently observed abnormality (46.8%), followed by hemorrhage (22.9%) and restricted diffusion (19.3%). Logistic regression could differentiate CNS infection from hematological disease infiltration with an AUC of 0.85 where, with OR > 1 favoring CNS infection and < 1 favoring CNS hematological disease, significantly predictive imaging features were hemorrhage (OR 24.61, p = 0.02), pathological enhancement (OR 0.17, p = 0.04) and an extra-axial location (OR 0.06, p = 0.05). In conclusion, CNS infection and hematological disease are heterogeneous entities with overlapping radiological appearances but a multivariate interaction of MR imaging features may assist in distinguishing them.
Seasonal temperature variability observed at abyssal depths in the Arabian Sea
Authors: Martin M. V. , Venkatesan R. , Weller Robert A. , Tandon Amit , Joseph K. Jossia
Published: September 2022

The abyssal ocean is generally considered an aseasonal environment decoupled from the variabilities observed at and just below the ocean's surface. Herein, we describe the first in-situ timeseries record of seasonal warming and cooling in the Arabian Sea at a depth of 4000 m. The seasonal cycle was observed over the nearly four-year-long record (from November 2018 to March 2022). The abyssal seasonal temperature cycle also exhibited noticeable interannual variability. We investigate whether or not surface processes influence the near-seabed temperature through deep meridional overturning circulation modulated by the Indian monsoon or by Rossby wave propagation. We also consider if bottom water circulation variability and discharge of the dense Persian Gulf and Red Sea Water may contribute to the observed seasonality.
Entomopathogenic fungi Beauveria bassiana and Metarhizium anisopliae play roles of maize (Zea mays) growth promoter
Authors: Liu Yinmei , Yang Youkun , Wang Bin
Published: September 2022

Beauveria bassiana and Metarhizium anisopliae are two of the most important and widely used entomopathogenic fungi (EPFs) to control insect pests. Recent studies have revealed their function in promoting plant growth after artificial inoculation. To better assess fungal colonization and growth-promoting effects of B. bassiana and M. anisopliae on crops, maize Zea mays seedlings were treated separately with 13 B. bassiana and 73 M. anisopliae as rhizosphere fungi in a hydroponic cultural system. Plant growth indexes, including plant height, root length, fresh weight, etc., were traced recorded for 35 days to prove the growth promoting efficiency of the EPFs inoculation. Fungal recovery rate (FRR) verified that both B. bassiana and M. anisopliae could endophytically colonize in maize tissues. The recovery rates of B. bassiana in stems and leaves were 100% on the 7th day, but dropped to 11.1% in the stems and 22.2% in the leaves on the 28th day. Meanwhile, B. bassiana was not detected in the roots until the 28th day, reaching a recovery rate of 33.3%. M. anisopliae strains were isolated from the plant roots, stems and leaves throughout the tracing period with high recovery rates. The systematical colonization of B. bassiana and M. anisopliae in different tissues were further corroborated by PCR amplification of fungus-specified DNA band, which showed a higher detection sensitivity of 100% positive reaction. Fungal density comparing to the initial value in the hydroponic solution, dropped to be well below 1% on the 21st day. Thus, the two selected entomopathogenic fungal strains successfully established endophytic colonization rather than rhizospheric colonization in maize, and significantly promoted its growth in a hydroponic cultural system. Entomopathogenic fungi have great application potential in eco-agricultural fields including biopesticides and biofertilizers.
In vitro larval rearing method of eusocial bumblebee Bombus terrestris for toxicity test
Authors: Kato Yuto , Kikuta Shingo , Barribeau Seth M. , Inoue Maki N.
Published: September 2022

Bumblebees are important pollinators of wild and agricultural plants but recently have been declining due to various stressors, such as pesticides and diseases. Because of the haplo-diploid sex determination system in hymenopterans, experiments using micro-colonies (small sub colonies without a queen) to identify risks to bumblebee health are limited as they are only able to produce males. Therefore, an experimental protocol for rearing bumblebee larvae in vitro is needed to better understand effects on worker larvae. Here, we aimed to establish a rearing method for larvae of Bombus terrestris for use in risk assessment assays. To confirm the validity of our rearing method, we tested two insecticides used for tomato cultivation, chlorfenapyr and dinotefuran. Bombus terrestris larvae fed with a high nutrient quantity and quality diet increased growth per day. All chlorfenapyr-exposed individuals died within 10 days at 2000-fold dilution, an application dose used for tomatoes. There were significant differences in adult emergence rate among almost all chlorfenapyr treatments. On the other hand, sublethal dinotefuran-exposure did not affect rates of pupation and adult emergence, growth, or larval and pupal periods. Although larvae were smaller than in the natural colony, this rearing method for B. terrestris larvae proved to be effective at evaluating realistic sub-colonies to pesticide exposures.
A simplified GIS and google-earth-based approach for lineaments and terrain attributes mapping in a basement complex terrain
Authors: Lawal M. A. , Oshomoji A. O. , Akinlalu A. A. , Omosanya K. O. , Ndukwe O. S. , Adiat K. A. N. , Mosuro G. O.
Published: September 2022

In this study, we use an integrated geologic mapping technique for remote mapping of lineaments and geologic terrain. Our workflow is based on geographic information system tools and consists of stream network delineation, lineaments mapping, terrain roughness index calculation, and interpretation of structural fabrics from google earth aerial photographs. The case study area, the Idanre Hills in southwestern Nigeria, has a protracted history and is characterized by steep-sided outcrops of a granitic batholith and migmatite-gneiss. Lineaments are widespread and dense around the batholith, occurring in areas of high elevation, and slope gradient. Terrain roughness indices are high at the outcrops and lineament sites. Streams in the area exhibit variable flow and partly align with the lineaments. The high roughness indices observed have tectonic connotations and are related to the occurrence of lineaments, strain domains, and high degree of rock weathering. Importantly, our method is effective in remote mapping of lineaments and terrain attributes within the study area and has wider applications in other basement complex terrains.
Pan-cancer molecular tumor board experience with biomarker-driven precision immunotherapy
Authors: Louie Bryan H. , Kato Shumei , Kim Ki Hwan , Lim Hyo Jeong , Okamura Ryosuke , Eskander Ramez N. , Botta Gregory , Patel Hitendra , Lee Suzanna , Lippman Scott M. , Sicklick Jason K. , Kurzrock Razelle
Published: September 2022

Despite remarkable responses to immune checkpoint blockade (ICB) in some advanced cancers, most patients do not benefit, perhaps due to the complexity of tumor/immune/genome interactions. We implemented a multidisciplinary Molecular Tumor Board (MTB) that reviewed multi-omic cancer characteristics to develop N-of-One therapies for patients in the pan-cancer, advanced, refractory setting. This study evaluates the experience of 80 patients who were presented to the MTB and received a treatment regimen that included ICB. Overall, 60/80 patients (75%) who received ICB following MTB discussion had a high degree of matching between tumor molecular characteristics, including ICB biomarkers (reflected by a high Matching Score (≥50%)) and therapy administered. Patients with high versus low Matching Score experienced significantly longer median progression-free survival (6.4 vs. 3.0 months; p = 0.011) and median overall survival (15.3 vs. 4.7 months; p = 0.014) and higher clinical benefit rates (stable disease ≥6 months/partial response/complete response) (53% vs. 21%, p = 0.019). Although most patients (52/80 (65%)) received a personalized combination therapy (e.g., targeted, hormonal, chemotherapy, or a second immunotherapy agent), administering >1 drug was not associated with outcome. Only degree of matching and age, but no other variables, including individual biomarkers (e.g., microsatellite status, tumor mutational burden, or PD-L1 status), were independently correlated with outcome. In the pan-cancer setting, the MTB facilitated a precision medicine strategy to match therapeutic regimens that included ICB alone or combined with matched targeted drugs to patients with advanced malignancy, which was associated with improved clinical outcomes.
Stretching muscle cells induces transcriptional and splicing transitions and changes in SR proteins
Authors: Hinkle Emma R. , Blue R. Eric , Tsai Yi-Hsuan , Combs Matthew , Davi Jacquelyn , Coffey Alisha R. , Boriek Aladin M. , Taylor Joan M. , Parker Joel S. , Giudice Jimena
Published: September 2022

Alternative splicing is an RNA processing mechanism involved in skeletal muscle development and pathology. Muscular diseases exhibit splicing alterations and changes in mechanobiology leading us to investigate the interconnection between mechanical forces and RNA processing. We performed deep RNA-sequencing after stretching muscle cells. First, we uncovered transcriptional changes in genes encoding proteins involved in muscle function and transcription. Second, we observed that numerous mechanosensitive genes were part of the MAPK pathway which was activated in response to stretching. Third, we revealed that stretching skeletal muscle cells increased the proportion of alternatively spliced cassette exons and their inclusion. Fourth, we demonstrated that the serine and arginine-rich proteins exhibited stronger transcriptional changes than other RNA-binding proteins and that SRSF4 phosphorylation is mechanosensitive. Identifying SRSF4 as a mechanosensitive RNA-binding protein that might contribute to crosstalk between mechanotransduction, transcription, and splicing could potentially reveal novel insights into muscular diseases, particularly those with unknown etiologies.
Ultrasonic antifouling devices negatively impact Cuvier’s beaked whales near Guadalupe Island, México
Authors: Trickey Jennifer S. , Cárdenas-Hinojosa Gustavo , Rojas-Bracho Lorenzo , Schorr Gregory S. , Rone Brenda K. , Hidalgo-Pla Eva , Rice Ally , Baumann-Pickering Simone
Published: September 2022

Widespread use of unregulated acoustic technologies in maritime industries raises concerns about effects on acoustically sensitive marine fauna worldwide. Anthropogenic noise can disrupt behavior and may cause short- to long-term disturbance with possible population-level consequences, particularly for animals with a limited geographic range. Ultrasonic antifouling devices are commercially available, installed globally on a variety of vessel types, and are marketed as an environmentally-friendly method for biofouling control. Here we show that they can be an acoustic disturbance to marine wildlife, as seasonal operation of these hull-mounted systems by tourist vessels in the marine protected area of Guadalupe Island, México resulted in the reduced presence of a potentially resident population of Cuvier’s beaked whales (Ziphius cavirostris). Human activities are rapidly altering soundscapes on local and global scales, and these findings highlight the need to identify key noise sources and assess their impacts on marine life to effectively manage oceanic ecosystems.
Changing weekend effects of air pollutants in Beijing under 2020 COVID-19 lockdown controls
Authors: Wu Lingyun , Xie Junfei , Kang Keyu
Published: September 2022

In 2020, lockdown control measures were implemented to prevent a novel coronavirus disease 19 (COVID-19) pandemic in many places of the world, which largely reduced human activities. Here, we detect changes in weekly cycles of PM2.5, NO2, SO2, CO and O3concentrations in 2020 compared to 2018 and 2019 using the observed data at 32 stations in Beijing. Distinct weekly cycles of annual average PM2.5, NO2, SO2and CO concentrations existed in 2018, while the weekend effects changed in 2020. In addition, the weekly cycle magnitudes of PM2.5, NO2, SO2, and O3concentrations in 2020 decreased by 29.60–69.26% compared to 2018, and 4.49–47.21% compared to 2019. We propose that the changing weekend effects and diminishing weekly cycle magnitudes may be tied to the COVID-19 lockdown controls, which changed human working and lifestyle cycles and reduced anthropogenic emissions of air pollutants on weekends more than weekdays.
Severe atmospheric pollution in the Middle East is attributable to anthropogenic sources
Authors: Osipov Sergey , Chowdhury Sourangsu , Crowley John N. , Tadic Ivan , Drewnick Frank , Borrmann Stephan , Eger Philipp , Fachinger Friederike , Fischer Horst , Predybaylo Evgeniya , Fnais Mohammed , Harder Hartwig , Pikridas Michael , Vouterakos Panos , Pozzer Andrea , Sciare Jean , Ukhov Alexander , Stenchikov Georgiy L. , Williams Jonathan , Lelieveld Jos
Published: September 2022

In the Middle East, desert dust is assumed to dominate air pollution, being in permanent violation of public health guidelines. Here we present ship-borne measurements from around the Arabian Peninsula and modeling results to show that hazardous fine particulate matter is to a large extent of anthropogenic origin (>90%), and distinct from the less harmful, coarse desert dust particles. Conventionally, it was understood that desert dust dominates both the fine and coarse aerosol size fractions, which obscures the anthropogenic signal. We find that the annual excess mortality from the exposure to air pollution is 745 (514-1097) per 100,000 per year, similar to that of other leading health risk factors, like high cholesterol and tobacco smoking. Furthermore, anthropogenic pollution particles account for a major part (~53%) of the visible aerosol optical depth. Therefore, in the Middle East anthropogenic air pollution is a leading health risk and an important climatic factor.
Background climate conditions regulated the photosynthetic response of Amazon forests to the 2015/2016 El Nino-Southern Oscillation event
Authors: Fancourt Max , Ziv Guy , Boersma Klaas Folkert , Tavares Julia , Wang Yunxia , Galbraith David
Published: September 2022

Amazon forests have experienced multiple large-scale droughts in recent decades, which have increased tree mortality and reduced carbon sequestration. However, the extent to which drought sensitivity varies across Amazonian forests and its key controls remain poorly quantified. Here, we analyse satellite remotely-sensed Solar Induced Fluorescence anomalies to investigate responses in Amazon forest photosynthetic activity to the 2015-2016 El Nino-Southern Oscillation (ENSO) drought. Using multivariate regression analysis, we examine the relative importance of ENSO-associated climate anomalies, background climate and soil characteristics in controlling basin-wide forest photosynthetic activity differences. Our model explains 25% of forest photosynthetic response and indicates background climate and soil conditions had a greater influence than the climatic anomalies experienced. We find marked sensitivity differences across Amazonia, with North-Western forests being the most sensitive to precipitation anomalies, likely relating to variation in forest species composition and background water stress. Such factors should be considered in climate change impact simulations.
Switchable inhibitory behavior of divalent magnesium ion in DNA hybridization-based gene quantification
Authors: Jin Hyowon , Lim Hyun Jeong , Liles Mark R. , Chua Beelee , Son Ahjeong
Published: September 2022

Mg2+ ion is a switchable inhibitor that can cause either under or over-estimation at different concentrations in DNA hybridization based gene quantification.
Ferroelectric monodisperse Ln-doped barium titanate cuboidal nanocrystals prepared by a solvothermal route
Authors: Kavey Benard D. , Caruntu Daniela , Mykhailovych Vasyl , Caruntu Gabriel
Published: September 2022

We demonstrate here that the dielectric, electrical and optical properties of BaTiO3colloidal nanocrystals with a cuboidal shape can be modulated upon aliovalent doping with Ln3+rare earth ions (Ln = La3+, Ce3+, Nd3+, Sm3+, Gd3+, Dy3+, and Tm3+).
Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides
Authors: Stoesser Julian , Engelage Elric , Huber Stefan M.
Published: September 2022

Highly fluorinated halogen bond donors (based on meta- or para-terphenyl backbones) with two iodine substituents were co-crystallized with halides. Significant differences in the interaction motifs of the syn- and anti-atropisomers were found.
Adenine-based bio-MOFs with high water and acid–base stability for ammonia capture
Authors: Ruan Mingming , Li Anqi , Wen Yaping , Zhou Lian , Zhang Jun , Xuan Xiaopeng
Published: September 2022

Two isoreticular bio-MOFs with high thermal and chemical stabilities were constructed. They exhibit a large uptake of about 7–10 mmol g−1 at 1 bar and can serve as promising sorbents for NH3.
Well-defined, air- and moisture-stable palladium–imidazo[1,5-a]pyridin-3-ylidene complexes: a versatile catalyst platform for cross-coupling reactions by L-shaped NHC ligands
Authors: Zhou Tongliang , Gao Pengcheng , Bisz Elwira , Dziuk Błażej , Lalancette Roger , Szostak Roman , Szostak Michal
Published: September 2022

We describe the development of [(NHC)Pd(cinnamyl)Cl] complexes of ImPy (ImPy = imidazo[1,5-a]pyridin-3-ylidene) as a versatile class of precatalysts for cross-coupling reactions.
Determination of trace element concentrations in organic materials of “intermediate-thickness” via portable X-ray fluorescence spectrometry
Authors: Zhou Shubin , Cheng Qiuming , Weindorf David C. , Yang Biying , Yuan Zhaoxian , Yang Jie
Published: September 2022

This research explored the feasibility of using portable X-ray fluorescence (pXRF) spectrometry to quantify Fe, Cu, Zn, and As concentrations in dried and ground organic materials (fungi, vegetation, and animal tissues) with intermediate thickness.
Synthesis and evaluation of radiolabeled porphyrin derivatives for cancer diagnoses and their nonradioactive counterparts for photodynamic therapy
Authors: Ramzi Nur Izni , Mishiro Kenji , Munekane Masayuki , Fuchigami Takeshi , Hu Xiaojun , Jastrząb Renata , Kitamura Yoji , Kinuya Seigo , Ogawa Kazuma
Published: September 2022

The prepared radiolabeled porphyrin derivatives showed high accumulation in tumor tissues and good phototoxicities indicating their potential for cancer theranostics.
The role of adjuvants in overcoming antibacterial resistance due to enzymatic drug modification
Authors: El-Khoury Christy , Mansour Elissar , Yuliandra Yori , Lai Felcia , Hawkins Bryson A. , Du Jonathan J. , Sundberg Eric J. , Sluis-Cremer Nicolas , Hibbs David E. , Groundwater Paul W.
Published: September 2022

Enzymatic drug deactivation is an important contributor to bacterial resistance. Adjuvants which inhibit the β-lactamases help maintain the efficacy of the β-lactams, demonstrating the potential for this strategy for other antibacterial classes.
Total electrification of large-scale nanophotonic arrays by frictional charges
Authors: Bhalla Nikhil , Yu Zidong , Pauly Serene , Kumar Amit , Maddi Chiranjeevi , Mariotti Davide , Zhao Pengfei , Payam Amir Farokh , Soin Navneet
Published: September 2022

A strong correlation between the triboelectric voltage output response and the  λLSPR shifts is observed which opens up the pathway for establishing self-powered LSPR-based sensors.
Rationally designed water-soluble AIE fluorescent polyester for the detection of oligomers based on the characteristics of HEWL amyloid fibrosis
Authors: Lu Zhimin , Wang Yixiu , Zhang Junyong , Mao Anrong , Lang Meidong
Published: September 2022

According to the fibrotic characteristics of HEWL, a water-soluble stimulus-responsive AIE polymer was designed and successfully used for oligomer detection.
Development of a high surface area Cu electrocatalyst for effective nitrous oxide reduction reaction
Authors: Nilvichean Siraphat , Meesombad Kornkamon , Butburee Teera , Chakthranont Pongkarn , Methaapanon Rungthiwa
Published: September 2022

On a high surface area copper catalyst, electrochemical N2O reduction (N2ORR) with a favorable onset potential and a high N2 partial current density is achieved.
In situ construction of a 2D CoTiO3/g-C3N4 photocatalyst with an S-scheme heterojunction and its excellent performance for CO2 reduction
Authors: Huang Haohui , Liu Xingqiang , Li Fang , He Qingyun , Ji Hongbing , Yu Changlin
Published: September 2022

The CoTiO3/g-C3N4 heterojunction showed a stronger redox potential than g-C3N4. Furthermore, the use of triethanolamine as a h+/–OH and e− sacrificial agent significantly enabled the efficient utilization of photogenerated electron–hole pairs.
MIL88-A as a mediator for the degradation of sulfamethoxazole in PS systems: implication of solar irradiation for process improvement
Authors: Khalil Zahraa Abou , Baalbaki Abbas , Bejjani Alice , Ghauch Antoine
Published: September 2022

A MIL88-A/PS/solar system is a highly efficient and cost effective AOP for a full and rapid degradation of SMX antibiotic in a water matrix.
Modulating oxygen vacancies of CeO2 nanospheres by Zn-doping: an efficient electrocatalyst for N2 reduction under ambient conditions
Authors: Ji Yuyao , Yang Mingyu , Cheng Wendong , Li Chengbo , Liu Xingquan
Published: September 2022

At present, most industrial NH3 production comes from the Haber–Bosch process, which causes a series of serious environmental pollution problems.
Investigation on flat torque‐angle characteristic of torque motor based on magnetic saturation of tooth tip
Authors: Meng Bin , Zhu Liangqiang , Heng Yaozhen , Xu Hao , Li Sheng , Ruan Jian
Published: September 2022

The flat torque‐angle characteristic of torque motor plays a decisive role in the control quality of electro‐hydraulic servo and proportional valve. To solve the issue that the current wet‐type torque motor for two‐dimensional (2D) valve does not have flat torque‐angle characteristic, a method for adjusting the flat torque‐angle characteristic of torque motor for 2D valve based on magnetic saturation of tooth tip is proposed. Taking the current limited angle torque motor with rectangular tooth (TM‐R) as an application example, the rectangular teeth on the stator are replaced by sharp teeth to form a novel torque motor with sharp tooth (TM‐S), and the flat torque‐angle characteristic can be obtained by constructing magnetic saturation of tooth tip. The variation trends of magnetic permeance in each magnetic saturation region of the tooth tip are analyzed. The torque‐angle characteristics of TM‐S and TM‐R under different control currents are compared. Prototypes of TM‐S and TM‐R with optimized parameters are designed and manufactured, and special experimental benches are built for static and dynamic test. Experimental results are basically consistent with the theoretical analysis. The comparative study shows that the torque‐angle characteristic of TM‐R is a downward curve, while the torque‐angle characteristic of TM‐S is an approximate flat curve. The research validates the effectiveness of the proposed method, which can both realize the flat torque‐angle characteristic and improve the dynamic response of torque motor. Finally, the proposed method can be further applied to other rotary and direct‐acting electro‐mechanical converter (EMC) with multi‐tooth structure.
A Facile and Mild Alkylation Protocol of NH-Diphenyl Sulfondiimines
Authors: Jia Tiezheng , Xu Zeyu , Su Shuaisong , Li Xue
Published: September 2022

As a promising pharmacophore, sulfondiimines have drawn increasing attention in recent years, but their uptake in medicinal chemistry is jeopardized by the scarcity of related transformations. Herein, we report a facile and mild N-alkylation protocol of NH-diphenyl sulfondiimines with alkyl halides to prepare a myriad of N-alkylated diphenyl sulfondiimines. Owing to air atmosphere, room temperature, as well as mild reaction conditions, this protocol has exhibited great potential in organic synthesis and medicinal chemistry by the late-stage functionalization of natural products.
Motivating factors behind the public’s use of smart recycling systems: perceived playfulness and environmental concern
Authors: Liu Liyuan , Hsu Yen
Published: September 2022

Smart cities around the world are seeking effective ways to recycle waste. A smart recycling service system is a new recycling method that allows people to engage in environmental protection. Previous studies on recycling have only focused on environmental concerns. Whether public intention to use smart recycling is influenced by environmental concern or perceived playfulness has yet to be explored. Therefore, this study proposes a modified technology acceptance model to discuss the impact of perceived playfulness and environmental concern on public intention to use smart recycling systems. We adopted the maximum likelihood estimation method as the measurement model for this study. The results show that both environmental concern and perceived playfulness motivate people to use smart recycling systems. However, perceived playfulness impacts public intention more than environmental concern and had the most significant impact among the four factors discussed in this study. Therefore, when seeking to improve and promote smart recycling systems, the focus should shift to promoting public intention to use and enhance their environmentally-friendly behavior in a playful way. This study provides new insights into the improvement of smart recycling systems and the implications for promoting them.
The impact of short videos on student performance in an online-flipped college engineering course
Authors: Zhu Jia , Yuan Hang , Zhang Quan , Huang Po-Hsun , Wang Yongjie , Duan Sixuan , Lei Ming , Lim Eng Gee , Song Pengfei
Published: September 2022

The 2020 COVID-19 pandemic has greatly accelerated the adoption of online learning and teaching in many colleges and universities. Video, as a key integral part of online education, largely influences student learning experiences. Though many guidelines on designing educational videos have been reported, the quantitative data showing the impacts of video length on students’ academic performance in a credit-bearing course is limited, particularly for an online-flipped college engineering course. The forced pandemic lockdown enables a suitable environment to address this research gap. In this paper, we present the first step to examine the impact of short videos on students’ academic performance in such circumstances. Our results indicate that short videos can greatly improve student engagement by 24.7% in terms of video viewing time, and the final exam score by 9.0%, both compared to the long-video group. The quantitative Likert questionnaire also indicates students’ preference for short videos over long videos. We believe this study has important implications for course design for future online-flipped engineering courses.
Wave “Hello” to a New Way of Teaching Quantum Mechanics
Authors: Ikenson Ben
Published: September 2022

Novel kinesthetic representations enable better understanding of complex-valued vectors of spin states
Chirp modulation improves accuracy and capacity in photoacoustic spectroscopy
Authors: Ikenson Ben
Published: September 2022

Method reduces temperature sensitivity for better trace gas detection
Long range terahertz driven electron acceleration using phase shifters
Authors: Zhang Dongfang , Zeng Yushan , Fakhari Moein , He Xie , Matlis Nicholas H. , Kärtner Franz X.
Published: September 2022

Terahertz radiation (THz)-based electron acceleration has the potential as a technology for driving the next-generation, compact ultrafast and ultrabright electron and x-ray sources. Dephasing is one of the key problems that prevent long THz–electron interaction lengths in the sub- to few-MeV range, where electron velocities vary significantly during high-field acceleration. Here, we present a phase-shifter design with double vacuum channels to alternate the phase velocity that effectively extends the THz–electron interaction length in THz-powered dielectrically loaded waveguides. The electrons are swept multiple-times back and forth through the accelerating phase of the THz wave to undergo continuous acceleration along the entire interaction. In addition, the double vacuum channel design enables increases in both the phase and group velocities of the THz wave, which leads to an adaptive synchronous acceleration with extended interaction length. This method paves the way for the practical implementation of THz-powered devices for high-energy ultrafast electron sources.
Surface stability of SrNbO3+δ grown by hybrid molecular beam epitaxy
Authors: Thapa Suresh , Provence Sydney R. , Gemperline Patrick T. , Matthews Bethany E. , Spurgeon Steven R. , Battles Sydney L. , Heald Steve M. , Kuroda Marcelo A. , Comes Ryan B.
Published: September 2022

4d transition metal oxides have emerged as promising materials for numerous applications including high mobility electronics. SrNbO3 is one such candidate material, serving as a good donor material in interfacial oxide systems and exhibiting high electron mobility in ultrathin films. However, its synthesis is challenging due to the metastable nature of the d1 Nb4+ cation and the limitations in the delivery of refractory Nb. To date, films have been grown primarily by pulsed laser deposition (PLD), but development of a means to grow and stabilize the material via molecular beam epitaxy (MBE) would enable studies of interfacial phenomena and multilayer structures that may be challenging by PLD. To that end, SrNbO3 thin films were grown using hybrid MBE for the first time using a tris(diethylamido)(tert-butylimido) niobium precursor for Nb and an elemental Sr source on GdScO3 substrates. Varying thicknesses of insulating SrHfO3 capping layers were deposited using a hafnium tert-butoxide precursor for Hf on top of SrNbO3 films to preserve the metastable surface. Grown films were transferred in vacuo for x-ray photoelectron spectroscopy to quantify elemental composition, density of states at the Fermi energy, and Nb oxidation state. Ex situ studies by x-ray absorption near edge spectroscopy and scanning transmission electron microscopy illustrate that the SrHfO3 capping plays an important role in preserving the crystalline quality of the material and the Nb 4d1 metastable charge state under atmospheric conditions.
Combinatorial nanoparticle patterns assembled by photovoltaic optoelectronic tweezers
Authors: Sebastián-Vicente Carlos , Remacha-Sanz Pablo , Elizechea-López Eva , García-Cabañes Ángel , Carrascosa Mercedes
Published: September 2022

Photovoltaic optoelectronic tweezers (PVOTs) have been proven to be an efficient tool for the manipulation and massive assembly of micro/nano-objects. The technique relies on strong electric fields produced by certain ferroelectric materials upon illumination due to the bulk photovoltaic effect (customarily LiNbO3:Fe). Despite the rapid development of PVOTs and the achievement of high-quality 1D and 2D particle patterning, research efforts aimed at the fabrication of combinatorial structures made up of multiple types of particles have been scarce. Here, we have established the working principles of three different methods to tackle this pending challenge. To that end, dielectrophoresis and/or electrophoresis acting on neutral and charged particles, respectively, have been suitably exploited. Simple mixed structures combining metallic and dielectric nanoparticles of different sizes have been obtained. The results lay the groundwork for future fabrication of more complex combinatorial structures by PVOT, where micro/nanoparticles are the basic building blocks of miniaturized functional devices.
Observation of the Weyl points and topological edge states in a synthetic Weyl elastic crystal
Authors: Lyu Xiaofei , Li Hongzhu , He Mengxin , Ding Qian , Yang Tianzhi
Published: September 2022

Weyl points (WPs) have been experimentally observed in optics and air-borne acoustic crystals. Although elastic Weyl physics has been theoretically studied, there is no experimental evidence to date. In this paper, WPs in the elastic wave field are investigated and realized in a synthetic three-dimensional (3D) space by one-dimensional (1D) phononic crystals with acoustic black hole structures. The synthetic 3D space constitutes one physical dimension and two geometrical parameters. Results show that the topological edge states and interface states can be directly observed. Furthermore, some WPs are experimentally visualized in an elastic wave system and the measured data are in good agreement with numerical predictions. This opens a new pathway for manipulating 1D elastic waves in an extraordinary way.
An emergence of chiral helimagnetism or ferromagnetism governed by Cr intercalation in a dichalcogenide CrNb3S6
Authors: Kousaka Y. , Ogura T. , Jiang J. , Mizutani K. , Iwasaki S. , Akimitsu J. , Togawa Y.
Published: September 2022

A synthesis of single crystals of chiral dichalcogenides TM3X6 (T: 3d transition metal, M: Nb or Ta, X: S or Se) remains an intriguing issue for the investigation of emergent quantum properties such as chiral helimagnetism. In this study, we investigated a correlation between the quantity of Cr intercalation x and the magnetic property in single crystals of a chromium (Cr) intercalated chiral disulfide CrxNb3S6 in order to optimize the synthesis condition for the intercalation-controlled single crystals. The magnetic properties, including a magnetic transition temperature Tc, take different values depending on the samples. We systematically grew single crystals of CrxNb3S6 with x ranged from 0.89 to 1.03 and found that the amount of the Cr intercalation x is an essential factor in controlling the magnetic properties of the grown crystals. The magnetization anomaly, which appears in the temperature dependence as evidence of the formation of chiral magnetic soliton lattice (CSL), was observed only in a narrow region of x from 0.98 to 1.03. The single crystals with x being 0.98 and 0.99 showed the CSL behavior with the highest Tc of 133 K. These results indicate that the small number of defects on the sites for T ions dramatically affects the quality of the single crystals in the synthesis of TM3S6. We also discuss the importance of synthesizing enantiopure single crystals of chiral dichalcogenides in order to observe chiral physical properties unique to chiral compounds such as magneto-chiral effect and chiral-induced spin selectivity.