bluuebunny/crossref_metadata_2025 huggingface dataset:
Physically driven enhancement of the stability of Bi2O3-based ionic conductors via grain boundary engineering
Authors: Jeong Incheol , Jeong Seung Jin , Yun Byung-Hyun , Lee Jong-Won , Lee Chan-Woo , Jung WooChul , Lee Kang Taek
Published: June 2022

Fast oxygen-ion conductors for use as electrolyte materials have been sought for energy conversion and storage. Bi2O3-based ionic conductors that exhibit the highest known oxygen-ion conductivities have received attention for use in next-generation solid electrolytes. However, at intermediate temperatures below ~600 °C, their conductivities degrade rapidly owing to a cubic-to-rhombohedral phase transformation. Here, we demonstrate that physical manipulation of the grain structure can be used to preserve the superior ionic conductivity of Bi2O3. To investigate the effects of microstructural control on stability, epitaxial and nanopolycrystalline model films of Er0.25Bi0.75O1.5 were fabricated by pulsed laser deposition. Interestingly, in situ impedance and ex situ XRD analyses showed that the grain boundary-free epitaxial film significantly improved the stability of the cubic phase, while severe degradation was observed in the conductivity of its polycrystalline counterpart. Consistently, the cation interdiffusion coefficient measured by the Boltzmann–Matano method was much lower for the epitaxial thin film compared to the polycrystalline thin film. Furthermore, first-principles calculations revealed that the presence of grain boundaries triggered the structural resemblance between cubic and rhombohedral phases, as evidenced by radial distribution functions. Additionally, phase transition energetics predicted that the thermodynamic stability of the cubic phase with respect to the rhombohedral counterpart is reduced near grain boundaries. Thus, these findings provide novel insights into the development of highly durable superionic conductors via microstructural engineering.
Results of the phase I CCTG IND.231 trial of CX-5461 in patients with advanced solid tumors enriched for DNA-repair deficiencies
Authors: Hilton John , Gelmon Karen , Bedard Philippe L. , Tu Dongsheng , Xu Hong , Tinker Anna V. , Goodwin Rachel , Laurie Scott A. , Jonker Derek , Hansen Aaron R. , Veitch Zachary W. , Renouf Daniel J. , Hagerman Linda , Lui Hongbo , Chen Bingshu , Kellar Deb , Li Irene , Lee Sung-Eun , Kono Takako , Cheng Brian Y. C. , Yap Damian , Lai Daniel , Beatty Sean , Soong John , Pritchard Kathleen I. , Soria-Bretones Isabel , Chen Eric , Feilotter Harriet , Rushton Moira , Seymour Lesley , Aparicio Samuel , Cescon David W.
Published: June 2022

CX-5461 is a G-quadruplex stabilizer that exhibits synthetic lethality in homologous recombination-deficient models. In this multicentre phase I trial in patients with solid tumors, 40 patients are treated across 10 dose levels (50–650 mg/m2) to determine the recommended phase II dose (primary outcome), and evaluate safety, tolerability, pharmacokinetics (secondary outcomes). Defective homologous recombination is explored as a predictive biomarker of response. CX-5461 is generally well tolerated, with a recommended phase II dose of 475 mg/m2 days 1, 8 and 15 every 4 weeks, and dose limiting phototoxicity. Responses are observed in 14% of patients, primarily in patients with defective homologous recombination. Reversion mutations in PALB2 and BRCA2 are detected on progression following initial response in germline carriers, confirming the underlying synthetic lethal mechanism. In vitro characterization of UV sensitization shows this toxicity is related to the CX-5461 chemotype, independent of G-quadruplex synthetic lethality. These results establish clinical proof-of-concept for this G-quadruplex stabilizer. Clinicaltrials.gov NCT02719977.
Porphyrin as a versatile visible-light-activatable organic/metal hybrid photoremovable protecting group
Authors: Sekhar Adiki Raja , Chitose Youhei , Janoš Jiří , Dangoor Sahar Israeli , Ramundo Andrea , Satchi-Fainaro Ronit , Slavíček Petr , Klán Petr , Weinstain Roy
Published: June 2022

Photoremovable protecting groups (PPGs) represent one of the main contemporary implementations of photochemistry in diverse fields of research and practical applications. For the past half century, organic and metal-complex PPGs were considered mutually exclusive classes, each of which provided unique sets of physical and chemical properties thanks to their distinctive structures. Here, we introduce the meso-methylporphyrin group as a prototype hybrid-class PPG that unites traditionally exclusive elements of organic and metal-complex PPGs within a single structure. We show that the porphyrin scaffold allows extensive modularity by functional separation of the metal-binding chromophore and up to four sites of leaving group release. The insertion of metal ions can be used to tune their spectroscopic, photochemical, and biological properties. We provide a detailed description of the photoreaction mechanism studied by steady-state and transient absorption spectroscopies and quantum-chemical calculations. Our approach applied herein could facilitate access to a hitherto untapped chemical space of potential PPG scaffolds.
A phase 1b randomised controlled trial of a glucagon-like peptide-1 and glucagon receptor dual agonist IBI362 (LY3305677) in Chinese patients with type 2 diabetes
Authors: Jiang Hongwei , Pang Shuguang , Zhang Yawei , Yu Ting , Liu Meng , Deng Huan , Li Li , Feng Liqi , Song Baili , Han-Zhang Han , Ma Qingyang , Qian Lei , Yang Wenying
Published: June 2022

The success of glucagon-like peptide-1 (GLP-1) receptor agonists to treat type 2 diabetes (T2D) and obesity has sparked considerable efforts to develop next-generation co-agonists that are more effective. We conducted a randomised, placebo-controlled phase 1b study (ClinicalTrials.gov: NCT04466904) to evaluate the safety and efficacy of IBI362 (LY3305677), a GLP-1 and glucagon receptor dual agonist, in Chinese patients with T2D. A total of 43 patients with T2D were enrolled in three cohorts in nine study centres in China and randomised in each cohort to receive once-weekly IBI362 (3.0 mg, 4.5 mg or 6.0 mg), placebo or open-label dulaglutide (1.5 mg) subcutaneously for 12 weeks. Forty-two patients received the study treatment and were included in the analysis, with eight receiving IBI362, four receiving placebo and two receiving dulaglutide in each cohort. The patients, investigators and study site personnel involved in treating and assessing patients in each cohort were masked to IBI362 and placebo allocation. Primary outcomes were safety and tolerability of IBI362. Secondary outcomes included the change in glycated haemoglobin A1c (HbA1c), fasting plasma glucose (FPG) and post-mixed-meal tolerance test (post-MTT) glucose levels. IBI362 was well tolerated. Most commonly-reported treatment-emergent adverse events were diarrhoea (29.2% for IBI362, 33.3% for dulaglutide, 0% for placebo), decreased appetite (25.0% for IBI362, 16.7% for dulaglutide, 0% for placebo) and nausea (16.7% for IBI362, 16.7% for dulaglutide and 8.3% for placebo). HbA1c, FPG and post-MTT glucose levels were reduced from baseline to week 12 in patients receiving IBI362 in all three cohorts. IBI362 showed a favourable safety profile and clinically meaningful reductions in blood glucose in Chinese patients with T2D.
DNA damage-induced transcription stress triggers the genome-wide degradation of promoter-bound Pol II
Authors: Steurer Barbara , Janssens Roel C. , Geijer Marit E. , Aprile-Garcia Fernando , Geverts Bart , Theil Arjan F. , Hummel Barbara , van Royen Martin E. , Evers Bastiaan , Bernards René , Houtsmuller Adriaan B. , Sawarkar Ritwick , Marteijn Jurgen
Published: June 2022

The precise regulation of RNA Polymerase II (Pol II) transcription after genotoxic stress is crucial for proper execution of the DNA damage-induced stress response. While stalling of Pol II on transcription-blocking lesions (TBLs) blocks transcript elongation and initiates DNA repair in cis, TBLs additionally elicit a response in trans that regulates transcription genome-wide. Here we uncover that, after an initial elongation block in cis, TBLs trigger the genome-wide VCP-mediated proteasomal degradation of promoter-bound, P-Ser5-modified Pol II in trans. This degradation is mechanistically distinct from processing of TBL-stalled Pol II, is signaled via GSK3, and contributes to the TBL-induced transcription block, even in transcription-coupled repair-deficient cells. Thus, our data reveal the targeted degradation of promoter-bound Pol II as a critical pathway that allows cells to cope with DNA damage-induced transcription stress and enables the genome-wide adaptation of transcription to genotoxic stress.
Toggle-like current-induced Bloch point dynamics of 3D skyrmion strings in a room temperature nanowire
Authors: Birch M. T. , Cortés-Ortuño D. , Litzius K. , Wintz S. , Schulz F. , Weigand M. , Štefančič A. , Mayoh D. A. , Balakrishnan G. , Hatton P. D. , Schütz G.
Published: June 2022

Research into practical applications of magnetic skyrmions, nanoscale solitons with interesting topological and transport properties, has traditionally focused on two dimensional (2D) thin-film systems. However, the recent observation of novel three dimensional (3D) skyrmion-like structures, such as hopfions, skyrmion strings (SkS), skyrmion bundles, and skyrmion braids, motivates the investigation of new designs, aiming to exploit the third spatial dimension for more compact and higher performance spintronic devices in 3D or curvilinear geometries. A crucial requirement of such device schemes is the control of the 3D magnetic structures via charge or spin currents, which has yet to be experimentally observed. In this work, we utilise real-space imaging to investigate the dynamics of a 3D SkS within a nanowire of Co8Zn9Mn3 at room temperature. Utilising single current pulses, we demonstrate current-induced nucleation of a single SkS, and a toggle-like positional switching of an individual Bloch point at the end of a SkS. The observations highlight the possibility to locally manipulate 3D topological spin textures, opening up a range of design concepts for future 3D spintronic devices.
Spatiotemporal analysis of glioma heterogeneity reveals COL1A1 as an actionable target to disrupt tumor progression
Authors: Comba Andrea , Faisal Syed M. , Dunn Patrick J. , Argento Anna E. , Hollon Todd C. , Al-Holou Wajd N. , Varela Maria Luisa , Zamler Daniel B. , Quass Gunnar L. , Apostolides Pierre F. , Abel Clifford , Brown Christine E. , Kish Phillip E. , Kahana Alon , Kleer Celina G. , Motsch Sebastien , Castro Maria G. , Lowenstein Pedro R.
Published: June 2022

Intra-tumoral heterogeneity is a hallmark of glioblastoma that challenges treatment efficacy. However, the mechanisms that set up tumor heterogeneity and tumor cell migration remain poorly understood. Herein, we present a comprehensive spatiotemporal study that aligns distinctive intra-tumoral histopathological structures, oncostreams, with dynamic properties and a specific, actionable, spatial transcriptomic signature. Oncostreams are dynamic multicellular fascicles of spindle-like and aligned cells with mesenchymal properties, detected using ex vivo explants and in vivo intravital imaging. Their density correlates with tumor aggressiveness in genetically engineered mouse glioma models, and high grade human gliomas. Oncostreams facilitate the intra-tumoral distribution of tumoral and non-tumoral cells, and potentially the collective invasion of the normal brain. These fascicles are defined by a specific molecular signature that regulates their organization and function. Oncostreams structure and function depend on overexpression of COL1A1. Col1a1 is a central gene in the dynamic organization of glioma mesenchymal transformation, and a powerful regulator of glioma malignant behavior. Inhibition of Col1a1 eliminates oncostreams, reprograms the malignant histopathological phenotype, reduces expression of the mesenchymal associated genes, induces changes in the tumor microenvironment and prolongs animal survival. Oncostreams represent a pathological marker of potential value for diagnosis, prognosis, and treatment.
Cross-cutting scenarios and strategies for designing decarbonization pathways in the transport sector toward carbon neutrality
Authors: Zhang Runsen , Hanaoka Tatsuya
Published: June 2022

The transport sector will play a pivotal role in achieving China’s carbon neutrality goal by 2060. This study develops a regional transport-energy integrated model to analyze the long-term pathways and strategies toward the carbon-neutral ground transport sector in China. A set of scenarios are created to identify the effectiveness and feasibility of low-carbon policy measures based on the well-known transport strategies within the Avoid–Shift–Improve framework. Our simulations shed light on synergistic coupling and trade-offs among different strategies and instruments for prescribing a desirable mix of policy measures that maximize the synergies and minimize the trade-offs. Here, we show that a region-specific policy package designed from a balanced perspective under the Avoid–Shift–Improve framework has the potential to realize a deep decarbonization in the transport sector and will greatly assist in achieving China’s carbon neutrality by 2060.
Coordination of metal center biogenesis in human cytochrome c oxidase
Authors: Nývltová Eva , Dietz Jonathan V. , Seravalli Javier , Khalimonchuk Oleh , Barrientos Antoni
Published: June 2022

Mitochondrial cytochrome c oxidase (CcO) or respiratory chain complex IV is a heme aa3-copper oxygen reductase containing metal centers essential for holo-complex biogenesis and enzymatic function that are assembled by subunit-specific metallochaperones. The enzyme has two copper sites located in the catalytic core subunits. The COX1 subunit harbors the CuB site that tightly associates with heme a3 while the COX2 subunit contains the binuclear CuA site. Here, we report that in human cells the CcO copper chaperones form macromolecular assemblies and cooperate with several twin CX9C proteins to control heme a biosynthesis and coordinate copper transfer sequentially to the CuA and CuB sites. These data on CcO illustrate a mechanism that regulates the biogenesis of macromolecular enzymatic assemblies with several catalytic metal redox centers and prevents the accumulation of cytotoxic reactive assembly intermediates.
Seasonal influenza vaccination expands hemagglutinin-specific antibody breadth to older and future A/H3N2 viruses
Authors: Ertesvåg Nina Urke , Cox Rebecca Jane , Lartey Sarah Larteley , Mohn Kristin G-I , Brokstad Karl Albert , Trieu Mai-Chi
Published: June 2022

History of influenza A/H3N2 exposure, especially childhood infection, shape antibody responses after influenza vaccination and infection, but have not been extensively studied. We investigated the breadth and durability of influenza A/H3N2-specific hemagglutinin-inhibition antibodies after live-attenuated influenza vaccine in children (aged 3-17 years, n = 42), and after inactivated influenza vaccine or infection in adults (aged 22-61 years, n = 42) using 14 antigenically distinct A/H3N2 viruses circulating from 1968 to 2018. We found that vaccination and infection elicited cross-reactive antibody responses, predominantly directed against newer or future strains. Childhood H3-priming increased the breadth and magnitude of back-boosted A/H3N2-specific antibodies in adults. Broader and more durable A/H3N2-specific antibodies were observed in repeatedly vaccinated adults than in children and previously unvaccinated adults. Our findings suggest that early A/H3N2 exposure and frequent seasonal vaccination could increase the breadth and seropositivity of antibody responses, which may improve vaccine protection against future viruses.
A potent estrogen receptor and microtubule specific purine-benzothiazole-based fluorescent molecular probe induces apoptotic death of breast cancer cells
Authors: Barman Surajit , Ghosh Subhajit , Roy Rajsekhar , Gupta Varsha , Ghosh Satyajit , Ghosh Surajit
Published: June 2022

Breast cancer is the most common malignancy in women and is a heterogeneous disease at molecular level. Early detection and specificity are the key prerequisite for the treatment of this deadly cancer. To address these issues attention on the breast cancer specific receptor protein(s) is the most realistic option. Herein estrogen (E) and progesterone (Pg) receptors(R) were considered to design fluorescent molecular probes with possible therapeutic option. We adopted QSAR technique to design a library of benzothiazole-purine hybrid molecules. Molecular docking offers us three screened molecules as most potential. Among these molecules one abbreviated as “CPIB” showed blue fluorescence and detected ER positive cancer cells at 1 nM concentration. At elevated concentration, CPIB induces apoptotic deaths of same cancer cells through targeting intracellular microtubules without affecting normal cells or ER negative cells. CPIB is one of its kind with two-in-one potential of “Detection and Destroy” ability targeting ER positive breast cancer cells.
Prediction of difficulty in direct laryngoscopy
Authors: Kharrat Ines , Achour Imen , Trabelsi Jihene Jdidi , Trigui Majdi , Thabet Wadii , Mnejja Malek , Hammami Bouthaina , Chakroun Amine , Charfeddine Ilhem
Published: June 2022

To establish easily measurable and reproducible preoperative parameters predicting difficult laryngeal exposure in direct laryngoscopy. A prospective study including 71 patients who underwent transoral microsurgery for benign or malignant lesions of the larynx was performed in our department from January 2021 to November 2021. Physical assessment included the Mallampati score, weight, height, body mass index and measurements of seven parameters in the cervical region. Eleven parameters were measured on the cervical radiography film. Among our patients, 19 were included in the difficult laryngeal exposure (DLE) group. High Mallampati and Cormack scores were significantly associated with DLE (p = 0.005 and p < 0.0001). Limited mouth opening, direct thyromental distance (DTMD) < 67 mm in neutral position, DTMD < 82 mm and sternomental distance < 157 mm at full head extension were statistically related to DLE. For radiological assessment, the effective length of the maxilla and the atlanto-occipital distance were related to DLE. Using stepwise logistic regression, only the effective length of the maxilla and atlanto-occipital distance were selected as independent predictors for DLE (p: 0.015 and 0.001). Preoperative prediction of DLE is useful for both surgeons and patients. The length of the maxilla and the atlanto-occipital distance were found to be independent risk factors for DLE. This highlights the effect of overgrowth of the maxilla, protrusion of the upper teeth and limited extension of the cervical spine as the major risk factors for difficult laryngeal exposure.
Disentangling the critical signatures of neural activity
Authors: Mariani Benedetta , Nicoletti Giorgio , Bisio Marta , Maschietto Marta , Vassanelli Stefano , Suweis Samir
Published: June 2022

The critical brain hypothesis has emerged as an attractive framework to understand neuronal activity, but it is still widely debated. In this work, we analyze data from a multi-electrodes array in the rat’s cortex and we find that power-law neuronal avalanches satisfying the crackling-noise relation coexist with spatial correlations that display typical features of critical systems. In order to shed a light on the underlying mechanisms at the origin of these signatures of criticality, we introduce a paradigmatic framework with a common stochastic modulation and pairwise linear interactions inferred from our data. We show that in such models power-law avalanches that satisfy the crackling-noise relation emerge as a consequence of the extrinsic modulation, whereas scale-free correlations are solely determined by internal interactions. Moreover, this disentangling is fully captured by the mutual information in the system. Finally, we show that analogous power-law avalanches are found in more realistic models of neural activity as well, suggesting that extrinsic modulation might be a broad mechanism for their generation.
Bio-acceptability of wearable sensors: a mechanistic study towards evaluating ionic leaching induced cellular inflammation
Authors: Bhushan Pulak , Kamat Vivek , Abrol Ishita , Kaushik Ajeet , Bhansali Shekhar
Published: June 2022

The recent need for remote health wellness monitoring has led to the extensive use of wearable sensors. Owing to their increased use, these sensors are required to exhibit both functionality and safety to the user. A major component in the fabrication of these sensors and their associated circuitry is the use of metallic/organic conductive inks. However, very less is known about the interfacial and molecular interactions of these inks with biological matter as they can result in an inflammatory reaction to the user. Significant efforts are thus needed to explore and improve the bio-acceptability of such conductive ink-based wearable sensors. The present study investigates the biocompatibility of encapsulated and non-encapsulated wearable electrochemical sensors used for sensing uric acid as a biomarker for wound healing fabricated using screen-printing technique. Ionic release of metallic ions was investigated first to understand the susceptibility of the conductive inks towards ionic leaching when in contact with a fluid. Time-lapse investigation using ICPS (inductive couple plasma spectroscopy) shows a high concentration (607.31 ppb) of leached silver (Ag+) ions from the non-encapsulated sensors. The cell viability data suggests a 2.5-fold improvement in the sensor biocompatibility for an encapsulated sensor. While the carbon ink shows negligible effect on cell viability, the silver ink elicits significant decrease (< 50%) in cell viability at concentrations higher than 2 mg ml-1. The toxicity pathway of these sensors was further determined to be through the generation of reactive oxygen species resulting in over 20% apoptotic cell death. Our results show that the lower biocompatibility of the non-encapsulated sensor attributes to the higher leaching of Ag+ ions from the printed inks which elicits several different inflammatory pathways. This work highlights the importance biocompatibility evaluation of the material used in sensor fabrication to develop safe and sustainable sensors for long-term applications.
A comparative genomic analysis of lichen-forming fungi reveals new insights into fungal lifestyles
Authors: Song Hyeunjeong , Kim Ki-Tae , Park Sook-Young , Lee Gir-Won , Choi Jaeyoung , Jeon Jongbum , Cheong Kyeongchae , Choi Gobong , Hur Jae-Seoun , Lee Yong-Hwan
Published: June 2022

Lichen-forming fungi are mutualistic symbionts of green algae or cyanobacteria. We report the comparative analysis of six genomes of lichen-forming fungi in classes Eurotiomycetes and Lecanoromycetes to identify genomic information related to their symbiotic lifestyle. The lichen-forming fungi exhibited genome reduction via the loss of dispensable genes encoding plant-cell-wall-degrading enzymes, sugar transporters, and transcription factors. The loss of these genes reflects the symbiotic biology of lichens, such as the absence of pectin in the algal cell wall and obtaining specific sugars from photosynthetic partners. The lichens also gained many lineage- and species-specific genes, including those encoding small secreted proteins. These genes are primarily induced during the early stage of lichen symbiosis, indicating their significant roles in the establishment of lichen symbiosis.Our findings provide comprehensive genomic information for six lichen-forming fungi and novel insights into lichen biology and the evolution of symbiosis.
The network nature of language endangerment hotspots
Authors: Lee Nala H. , Siew Cynthia S. Q. , Ng Nadine H. N.
Published: June 2022

Language endangerment is one of the most urgent issues of the twenty-first century. Languages are disappearing at unprecedented rates, with dire consequences that affect speaker communities, scientific community and humanity. There is impetus for understanding the nature of language endangerment, and we investigate where language endangerment occurs by performing network analysis on 3423 languages at various levels of risk. Macro-level analysis shows evidence of positive assortative mixing of endangerment statuses—critically endangered languages are surrounded by similarly endangered languages, indicating the prevalence of linguistic hotspots throughout the world. Meso-level analysis using community detection returned 13 communities experiencing different levels of threat. Micro-level analysis of closeness centrality shows that more geographically isolated languages tend to be more critically endangered. Even after accounting for the statistical contributions of linguistic diversity, the structural properties of the spatial network were still significantly associated with endangerment outcomes. Findings support that the notion of hotspots is useful when accounting for language endangerment but go beyond that to establish that quantifying spatial structure is crucial. Language preservation in these hotspots and understanding why endangered languages pattern the way they do in their environments becomes more vital than ever.
Trends in maintenance status and usability of public automated external defibrillators during a 5-year on-site inspection
Authors: Kim Tae Youn , Jung Yun-kyoung , Yoon Sun Hwa , Kim Sun Ju , Cha Kyoung-chul , Jung Woo Jin , Roh Young Il , Kim Soyeong , Kim Sung Hwa , Kang Dae Ryong , Hwang Sung Oh
Published: June 2022

This study aimed to assess the trend of the maintenance status and usability of public automated external defibrillators (AEDs). Public AEDs installed in Seoul from 2013 to 2017 were included. An inspector checked the maintenance status and usability of the AEDs annually using a checklist. During the study period, 23,619 AEDs were inspected. Access to the AEDs was improved, including the absence of obstacles near the AEDs (from 90.2% in 2013 to 99.1% in 2017, p < 0.0001) and increased AED signs (from 34.3% in 2013 to 91.3% in 2017, p < 0.0001). The rate of AEDs in normal operation (from 94.0% in 2013 to 97.6% in 2017, p < 0.0001), good battery status (from 95.6% in 2013 to 96.8% in 2017, p = 0.0016), and electrode availability increased (from 97.1% in 2013 to 99.0% in 2017, p < 0.0001); the rate of electrode validity decreased (from 90.0% in 2013 to 87.2% in 2017, p < 0.0001). The overall rate of the non-ready-to-use AEDs and AEDs with less than 24-h usability accounted for 15.4% and 44.1% of the total number of AEDs, respectively. Although most AEDs had a relatively good maintenance status, a significant proportion of public AEDs were not available for 24-h use. Invalid electrodes and less than 24-h accessibility were the main reasons that limited the 24-h usability of public AEDs.
A phase-field model by an Ising machine and its application to the phase-separation structure of a diblock polymer
Authors: Endo Katsuhiro , Matsuda Yoshiki , Tanaka Shu , Muramatsu Mayu
Published: June 2022

A novel model to be applied to next-generation accelerators, Ising machines, is formulated on the basis of the phase-field model of the phase-separation structure of a diblock polymer. Recently, Ising machines including quantum annealing machines, attract overwhelming attention as a technology that opens up future possibilities. On the other hand, the phase-field model has demonstrated its high performance in material development, though it takes a long time to achieve equilibrium. Although the convergence time problem might be solved by the next-generation accelerators, no solution has been proposed. In this study, we show the calculation of the phase-separation structure of a diblock polymer as the equilibrium state using phase-field model by an actual Ising machine. The proposed new model brings remarkable acceleration in obtaining the phase-separation structure. Our model can be solved on a large-scale quantum annealing machine. The significant acceleration of the phase-field simulation by the quantum technique pushes the material development to the next stage.
In-frame editing of transcription factor gene RDD1 to suppress miR166 recognition influences nutrient uptake, photosynthesis, and grain quality in rice
Authors: Iwamoto Masao
Published: June 2022

The transcription factor-encoding gene RDD1 increases the uptake of nutrient ions, photosynthetic activity under ambient and high CO2 conditions, and grain productivity, and microRNA166 (miR166) regulates its transcript levels. This study found that CRISPR/Cas9 genome editing of rice plants to inhibit miR166–RDD1 transcript pairing (R1-Cas plants) increased RDD1 transcript levels, NH4+ and PO43− uptake, and photosynthetic activity under high CO2 conditions in rice. However, the panicle weight of the R1-Cas plants decreased compared with the wild-type (WT) plants. Adversely, changes in environmental conditions, such as high CO2 or high temperatures, showed insignificant differences in the panicle weight between the WT and R1-Cas plants despite a largely increased panicle weight observed in the transgenic RDD1-overexpressing plants. Moreover, both the R1-Cas and transgenic RDD1-overexpressing plants that were matured in a growth chamber demonstrated an improved grain appearance quality or a decrease in the number of chalky grains compared with the WT plants. These results suggest that the in-frame mutagenesis of RDD1 to suppress miR166–RDD1 transcript pairing contributes to the improved grain appearance of rice.
Magnetic dynamics of ferromagnetic long range order in icosahedral quasicrystal
Authors: Watanabe Shinji
Published: June 2022

Quasicrystals lack translational symmetry and have unique lattice structures with rotational symmetry forbidden in periodic crystals. The electric state and physical property are far from complete understanding, which are the frontiers of modern matter physics. Recent discovery of the ferromagnetic long-range order in the rare-earth based icosahedral quasicrystal has made the breakthrough. Here, we first reveal the dynamical as well as static magnetic structure in the ferromagnetic long-range order in the terbium-based quasicrystal. The dynamical structure factor exhibits highly structured energy and wavenumber dependences beyond the crystalline-electric-field excitation. We find the presence of the magnetic excitation mode analog to magnon with unique hierarchical structure as well as the localized magnetic excitation with high degeneracy in the quasicrystal. Non-collinear and non-coplanar magnetic structure on the icosahedron is discovered to give rise to non-reciprocal magnetic excitation in the quasicrystal as well as non-reciprocal magnon in the periodic cubic 1/1 approximant. These findings afford illuminating insight into the magnetic dynamics in the broad range of the rare-earth-based quasicrystals and approximants.
Modelling vibro–acoustic response of lightweight square aluminium panel influenced by sound source locations for active control
Authors: Isaac Chukwuemeke William , Wrona Stanislaw , Pawelczyk Marek , Karimi Hamid Reza
Published: June 2022

This paper uses numerical approach to give insight into the structural–acoustic response of a lightweight square aluminium panel. It takes into consideration different locations of a primary sound source in an acoustic medium and how these locations influence the response of the structural panel. Finite element method as well as the first-order deformation theory are employed for constructing the numerical model. Experimental measurements of the mode shapes and velocity frequency response of the vibrating panel are used to validate the results of the finite element model. Furthermore, vibro-acoustic emission indexes such as sound transmission loss, sound pressure level and far-field directivity of sound pressure are obtained numerically. The results show that different locations of the primary sound source significantly influence the response of the structural panel to reduce noise. Sound source typically positioned close to the structural panel lowers the efficiency of the vibrating panel to reduce noise. Moreover, the sound distribution profiles at the radiated end of the vibrating panel for the different locations of the sound source are investigated. The study shows that the variation of the zones of quiet, vibro-acoustic emission parameters and sound distribution profiles obtained can provide vital information about the best positioning of structural source for both active vibration and noise control.
Analysis of commonly expressed genes between first trimester fetal heart and placenta cell types in the context of congenital heart disease
Authors: Wilson Rebecca L. , Yuan Victor , Courtney Jennifer A. , Tipler Alyssa , Cnota James F. , Jones Helen N.
Published: June 2022

Congenital heart disease (CHD) is often associated with fetal growth abnormalities. During the first trimester of pregnancy, the heart and placenta develop concurrently, and share key developmental pathways. It is hypothesized that defective morphogenesis of either organ is synergistically linked. However, many studies determined to understand the mechanisms behind CHD overlook the contribution of the placenta. In this study, we aimed to identify commonly expressed genes between first trimester heart and placenta cells using two publicly available single cell sequencing databases. Using a systematic computational approach, we identified 328 commonly expressed genes between heart and placenta endothelial cells and enrichment in pathways including Vasculature Development (GO:0001944, FDR 2.90E−30), and Angiogenesis (GO:0001525, FDR 1.18E−27). We also found, in comparison with fetal heart endothelial cells, 197 commonly expressed genes with placenta extravillous trophoblasts, 128 with cytotrophoblasts and 80 with syncytiotrophoblasts, and included genes such as FLT1, GATA2, ENG and CDH5. Finally, comparison of first trimester cardiomyocytes and placenta cytotrophoblasts revealed 53 commonly expressed genes and enrichment in biological processes integral to cellular function including Cellular Respiration (GO:0045333; FDR 5.05E−08), Ion Transport (GO:0006811; FDR 2.08E−02), and Oxidation–Reduction Process (GO:0055114; FDR 1.58E−07). Overall, our results identify specific genes and cellular pathways common between first trimester fetal heart and placenta cells which if disrupted may concurrently contribute to the developmental perturbations resulting in CHD.
Resistance of Dickeya solani strain IPO 2222 to lytic bacteriophage ΦD5 results in fitness tradeoffs for the bacterium during infection
Authors: Bartnik Przemyslaw , Lewtak Kinga , Fiołka Marta , Czaplewska Paulina , Narajczyk Magdalena , Czajkowski Robert
Published: June 2022

Resistance to bacteriophage infections protects bacteria in phage-replete environments, enabling them to survive and multiply in the presence of their viral predators. However, such resistance may confer costs for strains, reducing their ecological fitness as expressed as competitiveness for resources or virulence or both. There is limited knowledge about such costs paid by phage-resistant plant pathogenic bacteria in their natural habitats. This study analyzed the costs of phage resistance paid by the phytopathogenic pectinolytic bacterium Dickeya solani both in vitro and in potato (Solanum tuberosum L.) plants. Thirteen Tn5 mutants of D. solani IPO 2222 were identified that exhibited resistance to infection by lytic bacteriophage vB_Dsol_D5 (ΦD5). The genes disrupted in these mutants encoded proteins involved in the synthesis of bacterial envelope components (viz. LPS, EPS and capsule). Although phage resistance did not affect most of the phenotypes of ΦD5-resistant D. solani such as growth rate, production of effectors, swimming and swarming motility, use of various carbon and nitrogen sources and biofilm formation evaluated in vitro, all phage resistant mutants were significantly compromised in their ability to survive on leaf surfaces as well as to grow within and cause disease symptoms in potato plants.
A virtual simulation experiment platform of subway emergency ventilation system and study on its teaching effect
Authors: Dong Sihui , Yu Fei , Wang Kang
Published: June 2022

For safety engineering majors, it is very important to cultivate the practical ability of professional talents. Due to the difficulty of conducting experiments in dangerous environments, a virtual simulation experiment teaching platform was established. The platform allowed students to understand the structure of the subway ventilation room, and master the control requirements of the ventilation system in the event of sudden fire, blockage, and failure in the subway. Its construction used technologies such as 3D modeling, human–computer interaction, and VR. To test the teaching effect of the simulation experiment platform, two indexes of operating skills and cognitive load were selected to study and analyze the experimental results of students. The research adopts the method of stratified sampling, 46 boys and 10 girls were selected from the first-year students majoring in safety engineering, and they were randomly divided into experimental group and control group, with 23 boys and 5 girls in each group. The experimental group used the simulation platform for teaching, while the control group used the traditional teaching method. The score of the assessment module in the platform was taken as the index of students’ operating skills, and the cognitive load test was carried out by questionnaire to test the teaching effect. The test module scores showed that the average score of the experimental group was 32.79 points higher than that of the control group, and the results of the cognitive load test questionnaire showed that the experimental group scored 35.14% lower than the control group. The research shows that the virtual simulation experiment has a stronger teaching effect than the field experiment.
Inferring the spread of COVID-19: the role of time-varying reporting rate in epidemiological modelling
Authors: Spannaus Adam , Papamarkou Theodore , Erwin Samantha , Christian J. Blair
Published: June 2022

The role of epidemiological models is crucial for informing public health officials during a public health emergency, such as the COVID-19 pandemic. However, traditional epidemiological models fail to capture the time-varying effects of mitigation strategies and do not account for under-reporting of active cases, thus introducing bias in the estimation of model parameters. To infer more accurate parameter estimates and to reduce the uncertainty of these estimates, we extend the SIR and SEIR epidemiological models with two time-varying parameters that capture the transmission rate and the rate at which active cases are reported to health officials. Using two real data sets of COVID-19 cases, we perform Bayesian inference via our SIR and SEIR models with time-varying transmission and reporting rates and via their standard counterparts with constant rates; our approach provides parameter estimates with more realistic interpretation, and 1-week ahead predictions with reduced uncertainty. Furthermore, we find consistent under-reporting in the number of active cases in the data that we consider, suggesting that the initial phase of the pandemic was more widespread than previously reported.
Nanopore sequencing of a monkeypox virus strain isolated from a pustular lesion in the Central African Republic
Authors: Vandenbogaert Mathias , Kwasiborski Aurélia , Gonofio Ella , Descorps‐Declère Stéphane , Selekon Benjamin , Nkili Meyong Andriniaina Andy , Ouilibona Rita Sem , Gessain Antoine , Manuguerra Jean-Claude , Caro Valérie , Nakoune Emmanuel , Berthet Nicolas
Published: June 2022

Monkeypox is an emerging and neglected zoonotic disease whose number of reported cases has been gradually increasing in Central Africa since 1980. This disease is caused by the monkeypox virus (MPXV), which belongs to the genusOrthopoxvirusin the familyPoxviridae. Obtaining molecular data is particularly useful for establishing the relationships between the viral strains involved in outbreaks in countries affected by this disease. In this study, we evaluated the use of the MinION real-time sequencer as well as different polishing tools on MinION-sequenced genome for sequencing the MPXV genome originating from a pustular lesion in the context of an epidemic in a remote area of the Central African Republic. The reads corresponding to the MPXV genome were identified using two taxonomic classifiers, Kraken2 and Kaiju. Assembly of these reads led to a complete sequence of 196,956 bases, which is 6322 bases longer than the sequence previously obtained with Illumina sequencing from the same sample. The comparison of the two sequences showed mainly indels at the homopolymeric regions. However, the combined use of Canu with specific polishing tools such as Medaka and Homopolish was the best combination that reduced their numbers without adding mismatches. Although MinION sequencing is known to introduce a number of characteristic errors compared to Illumina sequencing, the new polishing tools allow a better-quality MinION-sequenced genome, thus to be used to help determine strain origin through phylogenetic analysis.
Synthesis of cyclic α-1,4-oligo-N-acetylglucosamine ‘cyclokasaodorin’ via a one-pot electrochemical polyglycosylation–isomerization–cyclization process
Authors: Endo Hirofumi , Ochi Masaharu , Rahman Md Azadur , Hamada Tomoaki , Kawano Takahiro , Nokami Toshiki
Published: June 2022

The first synthesis of the N-acetylglucosamine analogue of α-cyclodextrin has been achieved using the one-pot electrochemical polyglycosylation-isomerization-cyclization process as a key step.
VCD spectroscopy distinguishes the enamine and iminium ion of a 1,1′-binaphthyl azepine
Authors: Golub Tino P. , Kano Taichi , Maruoka Keiji , Merten Christian
Published: June 2022

The enamine and iminium ion of a chiral 1,1′-binaphthyl azepine are characterized by VCD spectroscopy and it is demonstrated that the VCD spectra analysis directly confirms the preferred conformations of both species.
Fast and accurate diffusion NMR acquisition in continuous flow
Authors: Thomlinson Isabel A. , Davidson Matthew G. , Lyall Catherine L. , Lowe John P. , Hintermair Ulrich
Published: June 2022

Measuring molecular diffusion in a moving sample? Possible through convection compensation with appropriate acquisition parameters and a low pulsation pump or a simple correction factor!
Highly crystalline sulfur and oxygen co-doped g-C3N4 nanosheets as an advanced photocatalyst for efficient hydrogen generation
Authors: Jia Xiaowei , Li Yunfeng , Liu Xianchun , Yu Xiaodan , Wang Cong , Shi Zhan , Xing Yan
Published: June 2022

The highly crystalline S and O co-doped g-C3N4 nanosheets show outstanding performance in photocatalytic hydrogen evolution, which is attributed to the enhanced visible light absorption, high crystallinity and abundant surface active sites.
Controlling polymorphism in molecular cocrystals by variable temperature ball milling
Authors: Linberg Kevin , Röder Bettina , Al-Sabbagh Dominik , Emmerling Franziska , Michalchuk Adam A. L.
Published: June 2022

Selectively tuning the polymorphism of an organic cocrystal system by controlling the equilibrium milling temperature.
Cinnamaldehyde protects against ligature-induced periodontitis through the inhibition of microbial accumulation and inflammatory responses of host immune cells
Authors: Ou Yanjing , Yan Mingdong , Gao Guanglin , Wang Wenjie , Lu Qiaoqiao , Chen Jiang
Published: June 2022

Cinnamaldehyde inhibited periodontitis in mice by suppressing microbial accumulation and theP. gingivalis-induced inflammatory responses of macrophages and PDLCs, and may help in tissue repair by anti-senescence and osteogenic induction.
Tailoring matter orbitals mediated using a nanoscale topographic interface for versatile colloidal current devices
Authors: Kim Hyeonseol , Kang Yumin , Lim Byeonghwa , Kim Keonmok , Yoon Jonghwan , Ali Abbas , Torati Sri Ramulu , Kim CheolGi
Published: June 2022

We report the topographies created by 3D structures that change the intended control of magnetic colloids around a 2D micro-magnet. This device mimics natural systems such as electron orbitals, selective trapping and release of single-cell control.
Solid-state landscape and biopharmaceutical implications of novel metformin-based salts
Authors: Diniz Luan F. , Carvalho Paulo S. , Gonçalves José E. , Diniz Renata , Fernandes Christian
Published: June 2022

Three new metformin salts were prepared, allowing the optimization of the drug's pharmaceutical profile and diversifying the API solid-state landscape.
Nano-titania modified cupric-based metal–organic frameworks for the on-line pass-through cleanup of phenothiazine drugs and metabolites in human plasma
Authors: Gan Lu , Zhao Yong-Gang , Yu Cun , Ye Ming-Li , Lu Yin , Xiao Shan-Mei , Zhang Yun
Published: June 2022

SEM (A) and TEM (B) images of NTMCu-MOFs.
Tunable Pd/C-catalyzed oxidative alkoxycarbonylation/aminocarbonylation of aryl hydrazines with alcohols/inert tertiary amines through C–N bond activation
Authors: Kolekar Yuvraj A. , Bhanage Bhalchandra M.
Published: June 2022

We report Pd/C-catalyzed oxidative amino- and alkoxycarbonylation of unactivated aryl hydrazines, employing inert tertiary amines as an aminal source and arylhydrazines via oxidative sp3 and sp2 C–N bond activation using molecular oxygen as an oxidant.
A super-hydrophilic NH2-MIL-125 composite film with dopamine-modified graphene oxide is used for water treatment
Authors: Wang Juan , Yu Zongxue , Zhu Ximei , Xiao Xuehan , Pang Yao , Tan QiuYue , Liu Yucheng
Published: June 2022

It is always concerning about how to remove oil–water emulsions and dyes simultaneously and how to find a suitable separation film.
A cobalt-based bifunctional metal organic framework-mediated fluorescent bio-sensing system for the hypersensitive detection of Ag+ ions through catalytic hairpin assembly
Authors: Pavadai Rajaji , Amalraj Arunjegan , Perumal Panneerselvam
Published: June 2022

Silver is often used as a water disinfectant in healthcare institutions as well as in potable water purifiers. Herein, a rapid and sensitive fluorescent biosensor for Ag+ detection was developed using a cobalt-based bi-functional metal–organic framework.
Lutidine derivatives for live-cell imaging of the mitochondria and endoplasmic reticulum
Authors: Singh Deepmala , Shewale Dipeshwari J. , Sengupta Aakash , Soppina Virupakshi , Kanvah Sriram
Published: June 2022

The tuning of lutidines for selective sub-cellular localization in the mitochondria and endoplasmic reticulum.
Donor modification of thermally activated delayed fluorescence photosensitizers for organocatalyzed atom transfer radical polymerization
Authors: Polgar Alexander M. , Huang Shine H. , Hudson Zachary M.
Published: June 2022

TADF donor-acceptor conjugates were applied as photosensitizers for organocatalyzed organic atom transfer radical polymerization. A donor-modification strategy was found to dramatically improve the control over the polymerization.
Investigation of structural, morphological, and transport properties of a multifunctional Li-ferrite compound
Authors: Soudani Ibtihel. , Ben Brahim Khawla. , Oueslati Abderrazek. , Slimi Houda. , Aydi Abdelhedi. , Khirouni Kamel.
Published: June 2022

Oxide lithium-manganese ferrite spinel representation, with stoichiometry LiMn0.5Fe2O4, in the (110) plane.
Direct phosphorylation of benzylic C–H bonds under transition metal-free conditions forming sp3C–P bonds
Authors: Li Qiang , Zhao Chang-Qiu , Chen Tieqiao , Han Li-Biao
Published: June 2022

Direct phosphorylation of benzylic C–H bonds with secondary phosphine oxides was first realized. The reaction was performed in organo/aqueous biphasic system and under transition metal-free conditions, proceeding via the cross dehydrogenative coupling.