bluuebunny/crossref_metadata_2025 huggingface dataset:
Incorporating uncertainty in learning to defer algorithms for safe computer-aided diagnosis
Authors: Liu Jessie , Gallego Blanca , Barbieri Sebastiano
Published: February 2022

Deep neural networks are increasingly being used for computer-aided diagnosis, but erroneous diagnoses can be extremely costly for patients. We propose a learning to defer with uncertainty (LDU) algorithm which identifies patients for whom diagnostic uncertainty is high and defers them for evaluation by human experts. LDU was evaluated on the diagnosis of myocardial infarction (using discharge summaries), the diagnosis of any comorbidities (using structured data), and the diagnosis of pleural effusion and pneumothorax (using chest x-rays), and compared with ‘learning to defer without uncertainty information’ (LD) and ‘direct triage by uncertainty’ (DT) methods. LDU achieved the same F1 score as LD but deferred considerably fewer patients (e.g. 36% vs. 69% deferral rate for diagnosing pleural effusion with an F1 score of 0.96). Furthermore, even when many patients were assigned the wrong diagnosis with high confidence (e.g. for the diagnosis of any comorbidities) LDU achieved a 17% increase in F1 score, whereas DT was not applicable. Importantly, the weight of the defer loss in LDU can be easily adjusted to obtain the desired trade-off between diagnostic accuracy and deferral rate. In conclusion, LDU can readily augment any existing diagnostic network to reduce the risk of erroneous diagnoses in clinical practice.
Photothermal inactivation of universal viral particles by localized surface plasmon resonance mediated heating filter membrane
Authors: Yoo Seunghwan , Yoon Sun-Woo , Jung Woo-Nam , Chung Moon Hyun , Kim Hyunjun , Jeong Hagkeun , Yoo Kyung-Hwa
Published: February 2022

This study introduces localized surface plasmon resonance (L-SPR) mediated heating filter membrane (HFM) for inactivating universal viral particles by using the photothermal effect of plasmonic metal nanoparticles (NPs). Plasmonic metal NPs were coated onto filter membrane via a conventional spray-coating method. The surface temperature of the HFM could be controlled to approximately 40–60 °C at room temperature, owing to the photothermal effect of the gold (Au) NPs coated on them, under irradiation by visible light-emitting diodes. Due to the photothermal effect of the HFMs, the virus titer of H1Npdm09 was reduced by > 99.9%, the full inactivation time being < 10 min, confirming the 50% tissue culture infective dose (TCID50) assay. Crystal violet staining showed that the infectious samples with photothermal inactivation lost their infectivity against Mardin-Darby Canine Kidney cells. Moreover, photothermal inactivation could also be applied to reduce the infectivity of SARS-CoV-2, showing reduction rate of 99%. We used quantitative reverse transcription polymerase chain reaction (qRT-PCR) techniques to confirm the existence of viral genes on the surface of the HFM. The results of the TCID50 assay, crystal violet staining method, and qRT-PCR showed that the effective and immediate reduction in viral infectivity possibly originated from the denaturation or deformation of membrane proteins and components. This study provides a new, simple, and effective method to inactivate viral infectivity, leading to its potential application in various fields of indoor air quality control and medical science.
Computational discovery of binding mode of anti-TRBC1 antibody and predicted key amino acids of TRBC1
Authors: Saetang Jirakrit , Sangkhathat Surasak , Jangphattananont Nawaphat , Khopanlert Wannakorn , Julamanee Jakrawadee , Tipmanee Varomyalin
Published: February 2022

Peripheral T-cell lymphoma (PTCL) is a type of non-Hodgkin lymphoma that progresses aggressively with poor survival rate. CAR T cell targeting T-cell receptor β-chain constant domains 1 (TRBC1) of malignant T cells has been developed recently by using JOVI.1 monoclonal antibody as a template. However, the mode of JOVI.1 binding is still unknown. This study aimed to investigate the molecular interaction between JOVI.1 antibody and TRBC1 by using computational methods and molecular docking. Therefore, the TRBC protein crystal structures (TRBC1 and TRBC2) as well as the sequences of JOVI.1 CDR were chosen as the starting materials. TRBC1 and TRBC2 epitopes were predicted, and molecular dynamic (MD) simulation was used to visualize the protein dynamic behavior. The structure of JOVI.1 antibody was also generated before the binding mode was predicted using molecular docking with an antibody mode. Epitope prediction suggested that the N3K4 region of TRBC1 may be a key to distinguish TRBC1 from TCBC2. MD simulation showed the major different surface conformation in this area between two TRBCs. The JOVI.1-TRBC1 structures with three binding modes demonstrated JOVI.1 interacted TRBC1 at N3K4 residues, with the predicted dissociation constant (Kd) ranging from 1.5 × 108to 1.1 × 1010 M. The analysis demonstrated JOVI.1 needed D1 residues of TRBC1 for the interaction formation to N3K4 in all binding modes. In conclusion, we proposed the three binding modes of the JOVI.1 antibody to TRBC1 with the new key residue (D1) necessary for N3K4 interaction. This data was useful for JOVI.1 redesign to improve the PTCL-targeting CAR T cell.
Impact of extractive industries on malaria prevalence in the Democratic Republic of the Congo: a population-based cross-sectional study
Authors: Mitchell Cedar L. , Janko Mark M. , Mwandagalirwa Melchior K. , Tshefu Antoinette K. , Edwards Jessie K. , Pence Brian W. , Juliano Jonathan J. , Emch Michael
Published: February 2022

Extraction of natural resources through mining and logging activities provides revenue and employment across sub-Saharan Africa, a region with the highest burden of malaria globally. The extent to which mining and logging influence malaria transmission in Africa remains poorly understood. Here, we evaluate associations between mining, logging, and malaria in the high transmission setting of the Democratic Republic of the Congo using population-representative malaria survey results and geographic data for environmental features and mining and logging concessions. We find elevated malaria prevalence among individuals in rural areas exposed to mining; however, we also detect significant spatial confounding among locations. Upon correction, effect estimates for mining and logging shifted toward the null and we did not find sufficient evidence to detect an association with malaria. Our findings reveal a complex interplay between mining, logging, space, and malaria prevalence. While mining concessions alone may not drive the high prevalence, unobserved features of mining-exposed areas, such as human migration, changing vector populations, or parasite genetics, may instead be responsible.
Nanoscale transformations of amphiboles within human alveolar epithelial cells
Authors: Vigliaturo Ruggero , Jamnik Maja , Dražić Goran , Podobnik Marjetka , Žnidarič Magda Tušek , Ventura Giancarlo Della , Redhammer Günther J. , Žnidaršič Nada , Caserman Simon , Gieré Reto
Published: February 2022

Amphibole asbestos is related to lung fibrosis and several types of lung tumors. The disease-triggering mechanisms still challenge our diagnostic capabilities and are still far from being fully understood. The literature focuses primarily on the role and formation of asbestos bodies in lung tissues, but there is a distinct lack of studies on amphibole particles that have been internalized by alveolar epithelial cells (AECs). These internalized particles may directly interact with the cell nucleus and the organelles, exerting a synergistic action with asbestos bodies (AB) from a different location. Here we document the near-atomic- to nano-scale transformations induced by, and taking place within, AECs of three distinct amphiboles (anthophyllite, grunerite, “amosite”) with different Fe-content and morphologic features. We show that: (i) an Fe-rich layer is formed on the internalized particles, (ii) particle grain boundaries are transformed abiotically by the internal chemical environment of AECs and/or by a biologically induced mineralization mechanism, (iii) the Fe-rich material produced on the particle surface does not contain large amounts of P, in stark contrast to extracellular ABs, and (iv) the iron in the Fe-rich layer is derived from the particle itself. Internalized particles and ABs follow two distinct formation mechanisms reaching different physicochemical end-states.
Comparison of mitochondrial DNA sequences from whole blood and lymphoblastoid cell lines
Authors: Liu Chunyu , Fetterman Jessica L. , Sun Xianbang , Yan Kaiyu , Liu Poching , Luo Yan , Ding Jun , Zhu Jun , Levy Daniel
Published: February 2022

Lymphoblastoid cell lines (LCLs) provide an unlimited source of genomic DNA for genetic studies. Here, we compared mtDNA sequence variants, heteroplasmic or homplasmic, between LCL (sequenced by mitoRCA-seq method) and whole blood samples (sequenced through whole genome sequencing approach) of the same 130 participants in the Framingham Heart Study. We applied harmonization of sequence coverages and consistent quality control to mtDNA sequences. We identified 866 variation sites in the 130 LCL samples and 666 sites in the 130 blood samples. More than 94% of the identified homoplasmies were present in both LCL and blood samples while more than 70% of heteroplasmic sites were uniquely present either in LCL or in blood samples. The LCL and whole blood samples carried a similar number of homoplasmic variants (p = 0.45) per sample while the LCL carried a greater number of heteroplasmic variants than whole blood per sample (p < 2.2e−16). Furthermore, the LCL samples tended to accumulate low level heteroplasmies (heteroplasmy level in 3–25%) than their paired blood samples (p = 0.001). These results suggest that cautions should be taken in the interpretation and comparison of findings when different tissues/cell types or different sequencing technologies are applied to obtain mtDNA sequences.
Ecological niche modeling predicting the potential distribution of African horse sickness virus from 2020 to 2060
Authors: Assefa Ayalew , Tibebu Abebe , Bihon Amare , Dagnachew Alemu , Muktar Yimer
Published: February 2022

African horse sickness is a vector-borne, non-contagious and highly infectious disease of equines caused by African horse sickness viruses (AHSv) that mainly affect horses. The occurrence of the disease causes huge economic impacts because of its high fatality rate, trade ban and disease control costs. In the planning of vectors and vector-borne diseases like AHS, the application of Ecological niche models (ENM) used an enormous contribution in precisely delineating the suitable habitats of the vector. We developed an ENM to delineate the global suitability of AHSv based on retrospective outbreak data records from 2005 to 2019. The model was developed in an R software program using the Biomod2 package with an Ensemble modeling technique. Predictive environmental variables like mean diurnal range, mean precipitation of driest month(mm), precipitation seasonality (cv), mean annual maximum temperature (oc), mean annual minimum temperature (oc), mean precipitation of warmest quarter(mm), mean precipitation of coldest quarter (mm), mean annual precipitation (mm), solar radiation (kj /day), elevation/altitude (m), wind speed (m/s) were used to develop the model. From these variables, solar radiation, mean maximum temperature, average annual precipitation, altitude and precipitation seasonality contributed 36.83%, 17.1%, 14.34%, 7.61%, and 6.4%, respectively. The model depicted the sub-Sahara African continent as the most suitable area for the virus. Mainly Senegal, Burkina Faso, Niger, Nigeria, Ethiopia, Sudan, Somalia, South Africa, Zimbabwe, Madagascar and Malawi are African countries identified as highly suitable countries for the virus. Besides, OIE-listed disease-free countries like India, Australia, Brazil, Paraguay and Bolivia have been found suitable for the virus. This model can be used as an epidemiological tool in planning control and surveillance of diseases nationally or internationally.
Trap-state mapping to model GaN transistors dynamic performance
Authors: Modolo Nicola , De Santi Carlo , Minetto Andrea , Sayadi Luca , Prechtl Gerhard , Meneghesso Gaudenzio , Zanoni Enrico , Meneghini Matteo
Published: February 2022

Trapping phenomena degrade the dynamic performance of wide-bandgap transistors. However, the identification of the related traps is challenging, especially in presence of non-ideal defects. In this paper, we propose a novel methodology (trap-state mapping) to extract trap parameters, based on the mathematical study of stretched exponential recovery kinetics. To demonstrate the effectiveness of the approach, we use it to identify the properties of traps in AlGaN/GaN transistors, submitted to hot-electron stress. After describing the mathematical framework, we demonstrate that the proposed methodology can univocally describe the properties of the distribution of trap states. In addition, to prove the validity and the usefulness of the model, the trap properties extracted mathematically are used as input for TCAD simulations. The results obtained by TCAD closely match the experimental transient curves, thus confirming the accuracy of the trap-state mapping procedure. This methodology can be adopted also on other technologies, thus constituting a universal approach for the analysis of multiexponential trapping kinetics.
Comparison of GATK and DeepVariant by trio sequencing
Authors: Lin Yi-Lin , Chang Pi-Chuan , Hsu Ching , Hung Miao-Zi , Chien Yin-Hsiu , Hwu Wuh-Liang , Lai FeiPei , Lee Ni-Chung
Published: February 2022

While next-generation sequencing (NGS) has transformed genetic testing, it generates large quantities of noisy data that require a significant amount of bioinformatics to generate useful interpretation. The accuracy of variant calling is therefore critical. Although GATK HaplotypeCaller is a widely used tool for this purpose, newer methods such as DeepVariant have shown higher accuracy in assessments of gold-standard samples for whole-genome sequencing (WGS) and whole-exome sequencing (WES), but a side-by-side comparison on clinical samples has not been performed. Trio WES was used to compare GATK (4.1.2.0) HaplotypeCaller and DeepVariant (v0.8.0). The performance of the two pipelines was evaluated according to the Mendelian error rate, transition-to-transversion (Ti/Tv) ratio, concordance rate, and pathological variant detection rate. Data from 80 trios were analyzed. The Mendelian error rate of the 77 biological trios calculated from the data by DeepVariant (3.09 ± 0.83%) was lower than that calculated from the data by GATK (5.25 ± 0.91%) (p < 0.001). DeepVariant also yielded a higher Ti/Tv ratio (2.38 ± 0.02) than GATK (2.04 ± 0.07) (p < 0.001), suggesting that DeepVariant proportionally called more true positives. The concordance rate between the 2 pipelines was 88.73%. Sixty-three disease-causing variants were detected in the 80 trios. Among them, DeepVariant detected 62 variants, and GATK detected 61 variants. The one variant called by DeepVariant but not GATK HaplotypeCaller might have been missed by GATK HaplotypeCaller due to low coverage. OTC exon 2 (139 bp) deletion was not detected by either method. Mendelian error rate calculation is an effective way to evaluate variant callers. By this method, DeepVariant outperformed GATK, while the two pipelines performed equally in other parameters.
Specific absorption rate reduction for sub-6 frequency range using polarization dependent metamaterial with high effective medium ratio
Authors: Ramachandran Tayaallen , Faruque Mohammad Rashed Iqbal , Islam Mohammad Tariqul
Published: February 2022

This research study introduces a multi-layered square-shaped metamaterial (MSM) structure for the electromagnetic (EM) absorption reduction in wireless mobile devices. Usually, wireless devices, for example, a cellular phone emits radiofrequency (RF) energy to the surroundings when used it. Moreover, fast-growing wireless communication technologies that support cellular data networks have also motivated this study. Hence, the focus of the research was to reduce the Specific Absorption Rate (SAR) for the Sub-6 frequency range by designing a multi-layered and compact, 10 × 10mm2 sized metamaterial structure that can be attached inside a mobile phone by avowing any overlapping with existing parts. Overall, six distinct square-shaped metamaterials were constructed on 0.25 mm thick Rogers RO3006 substrate material to reach the target of this investigation. Furthermore, numerical simulations of the proposed metamaterial electromagnetic properties and SAR reduction values were performed by adopting Computer Simulation Technology (CST) Microwave Studio 2019 software. From these simulations, the proposed MSM structure exhibited multi-band resonance frequencies accurately at 1.200, 1.458, 1.560, 1.896 GHz (at L-band), 2.268, 2.683 2.940, 3.580 GHz (at S-band) and 5.872 GHz (at C-band). Simultaneously, the proposed MSM structure was simulated in High-Frequency Structure Simulator (HFSS) to authenticate the numerical simulation data. The comparison of simulation data shows that only the primary and last resonance frequencies were reduced by 0.02 and 0.012 GHz, whereas the rest of the frequencies were increased by 0.042, 0.030, 0.040, 0.032, 0.107, 0.080, and 0.020 GHz in sequential order. In addition, the introduced MSM structure manifests left-handed behaviour at all the resonance frequencies. Nevertheless, the highest recorded SAR values were 98.136% and 98.283% at 1.560 GHz for 1 g and 10 g of tissue volumes. In conclusion, the proposed MSM met the objectives of this research study and can be employed in EM absorption reduction applications.
Metagenomic analysis of microbial community structure and function in a improved biofilter with odorous gases
Authors: Ni Jianguo , Yang Huayun , Chen Liqing , Xu Jiadong , Zheng Liangwei , Xie Guojian , Shen Chenjia , Li Weidong , Liu Qi
Published: February 2022

Biofilters have been broadly applied to degrade the odorous gases from industrial emissions. A industrial scale biofilter was set up to treat the odorous gases. To explore biofilter potentials, the microbial community structure and function must be well defined. Using of improved biofilter, the differences in microbial community structures and functions in biofilters before and after treatment were investigated by metagenomic analysis. Odorous gases have the potential to alter the microbial community structure in the sludge of biofilter. A total of 90,016 genes assigned into various functional metabolic pathways were identified. In the improved biofilter, the dominant phyla were Proteobacteria, Planctomycetes, and Chloroflexi, and the dominant genera were Thioalkalivibrio, Thauera, and Pseudomonas. Several xenobiotic biodegradation-related pathways showed significant changes during the treatment process. Compared with the original biofilter, Thermotogae and Crenarchaeota phyla were significantly enriched in the improved biofilter, suggesting their important role in nitrogen-fixing. Furthermore, several nitrogen metabolic pathway-related genes, such as nirA and nifA, and sulfur metabolic pathway-related genes, such as fccB and phsA, were considered to be efficient genes that were involved in removing odorous gases. Our findings can be used for improving the efficiency of biofilter and helping the industrial enterprises to reduce the emission of waste gases.
Immune-related adverse events in the treatment of non-Hodgkin lymphoma with immune checkpoint inhibitors
Authors: Argnani Lisa , Casadei Beatrice , Pelusi Carla , Lo Preiato Valentina , Pagotto Uberto , Bertoni Francesco , Zinzani Pier Luigi
Published: February 2022

Immune checkpoint inhibitors (ICIs) show efficacy in the treatment of non-Hodgkin lymphomas (NHL). However, these agents are associated with a unique group of side effects called immune-related adverse events (irAEs). We conducted an observational retrospective/prospective study on patients with relapsed/refractory NHL treated with ICI to determine the incidence of irAEs assessing the type, severity, and timing of onset, outcome and relationship with study drugs of these events. Thirty-two patients underwent ICI as single agent (N = 20) or in combination (N = 12). Ten patients (31.3%) developed at least one irAE for a total of 17 irAEs. Median time to presentation of irAEs was 69 days (range 0–407) with a median resolution time of 16 days (range 0–98). Progression free survival at 24 months for patients who developed an irAE was 40% and 31.8% for who did not. Overall survival for the two groups did not differ (at 24 months 40.0% and 62.5% for patients without and with irAE, respectively), but the median for who developed an irAE was not reached. The incidence of irAEs was associated with better long-term survival in NHL treated with ICIs but patients’ disease conditions need to be carefully evaluated to decide the optimal management.
A neuromorphic spiking neural network detects epileptic high frequency oscillations in the scalp EEG
Authors: Burelo Karla , Ramantani Georgia , Indiveri Giacomo , Sarnthein Johannes
Published: February 2022

Interictal High Frequency Oscillations (HFO) are measurable in scalp EEG. This development has aroused interest in investigating their potential as biomarkers of epileptogenesis, seizure propensity, disease severity, and treatment response. The demand for therapy monitoring in epilepsy has kindled interest in compact wearable electronic devices for long-term EEG recording. Spiking neural networks (SNN) have emerged as optimal architectures for embedding in compact low-power signal processing hardware. We analyzed 20 scalp EEG recordings from 11 pediatric focal lesional epilepsy patients. We designed a custom SNN to detect events of interest (EoI) in the 80–250 Hz ripple band and reject artifacts in the 500–900 Hz band. We identified the optimal SNN parameters to detect EoI and reject artifacts automatically. The occurrence of HFO thus detected was associated with active epilepsy with 80% accuracy. The HFO rate mirrored the decrease in seizure frequency in 8 patients (p = 0.0047). Overall, the HFO rate correlated with seizure frequency (rho = 0.90 CI [0.75 0.96], p < 0.0001, Spearman’s correlation). The fully automated SNN detected clinically relevant HFO in the scalp EEG. This study is a further step towards non-invasive epilepsy monitoring with a low-power wearable device.
Application of moving particle semi-implicit (MPS) method on retro-oil fluid using three-dimensional vitreous cavity models from magnetic resonance imaging
Authors: Gozawa Makoto , Watanabe Naoki , Iwasaki Kentaro , Takamura Yoshihiro , Inatani Masaru
Published: February 2022

Silicone oil (SO) is a safe and widely used intraocular tamponade agent for treating complicated vitreoretinal diseases, such as retinal detachments (RRDs) with inferior proliferative vitreoretinopathy (PVR). However, as the human vitreous cavity is irregularly shaped, it is difficult to predict the area of the inferior retina covered with SO and the retro-oil fluid currents in each patient. Here, we performed fluid simulation analysis using the moving particle semi-implicit method on the oil cover rates and absolute velocity gradient of retro-oil fluid to the retina using vitreous cavity models derived from magnetic resonance imaging of patients to determine the appropriate amount of SO and postoperative position to achieve a sufficient tamponade effect on the inferior retina. In all seven vitreous cavity models tested, the inferior quadrant of the retina was completely covered by SO in more positions and the absolute velocity gradient of the retro-oil fluid in contact with the retinal wall caused by eye and head movements was lower when the vitreous cavity was filled with 95% SO and 5% retro-oil fluid versus 80% SO and 20% retro-oil fluid. Taken together, these findings have clinical implications for the treatment of complicated RRDs with inferior PVR requiring SO tamponade.
Neural network compensation control of magnetic levitation ball position based on fuzzy inference
Authors: Tang Jiawei , Huang Zhiwen , Zhu Yidan , Zhu Jianmin
Published: February 2022

Aiming at the problem of poor transient performance of the control system caused by the control uncertainty of the undertrained neural network, a neural network compensation control method based on fuzzy inference is proposed in this paper. The method includes three control substructures: fuzzy inference block, neural network control block and basic control block. The fuzzy inference block adaptively adjusts the neural network compensation control quantity according to the control error and the error rate of change, and adds a dynamic adjustment factor to ensure the control quality at the initial stage of network learning or at the moment of signal transition. The neural network control block is composed of an identifier and a controller with the same network structure. After the identifier learns the dynamic inverse model of the controlled object online, its training parameters are dynamically copied to the controller for real-time compensation control. The basic control block uses a traditional PID controller to provide online learning samples for the neural network control block. The simulation and experimental results of the position control of the magnetic levitation ball show that the proposed method significantly reduces the overshoot and settling time of the control system without sacrificing the steady-state accuracy of neural network compensation control, and has good transient and steady-state performance and strong robustness simultaneously.
Trends in myocarditis incidence, complications and mortality in Sweden from 2000 to 2014
Authors: Fu Michael , Kontogeorgos Silvana , Thunström Erik , Zverkova Sandström Tatiana , Kroon Christian , Bollano Entela , Schaufelberger Maria , Rosengren Annika
Published: February 2022

Investigate trends in myocarditis incidence and prognosis in Sweden during 2000–2014. Little data exist concerning population-trends in incidence of hospitalizations for myocarditis and subsequent prognosis. Linking Swedish National Patient and Cause of Death Registers, we identified individuals ≥ 16 years with first-time diagnosis of myocarditis during 2000–2014. Reference population, matched for age and birth year (n = 16,622) was selected from Swedish Total Population Register. Among the 8 679 cases (75% men, 64% < 50 years), incidence rate/100,000 inhabitants rose from 6.3 to 8.6 per 100,000, mostly in men and those < 50 years. Incident heart failure/dilated cardiomyopathy occurred in 6.2% within 1 year after index hospitalization and in 10.2% during 2000–2014, predominantly in those ≥ 50 years (12.1% within 1 year, 20.8% during 2000–2014). In all 8.1% died within 1 year, 0.9% (< 50 years) and 20.8% (≥ 50 years). Hazard ratios (adjusted for age, sex) for 1-year mortality comparing cases and controls were 4.00 (95% confidence interval 1.37–11.70), 4.48 (2.57–7.82), 4.57 (3.31–6.31) and 3.93 (3.39–4.57) for individuals aged < 30, 30 to < 50, 50 to < 70, and ≥ 70 years, respectively. The incidence of myocarditis during 2000–2014 increased, predominantly in men < 50 years. One-year mortality was low, but fourfold higher compared with reference population.
Havre 2012 pink pumice is evidence of a short-lived, deep-sea, magnetite nanolite-driven explosive eruption
Authors: Knafelc Joseph , Bryan Scott E. , Jones Michael W. M. , Gust David , Mallmann Guil , Cathey Henrietta E. , Berry Andrew J. , Ferré Eric C. , Howard Daryl L.
Published: February 2022

The Havre 2012 deep-sea rhyolite eruption went unobserved and was initially recognised from a massive pumice raft at the sea surface. Havre pumices are predominantly white or grey, however pink pumice is common in the raft. In subaerial explosive eruptions, pink pumice is understood to result from high-temperature atmospheric iron-oxidation. The presence of pink pumice questions the effusive eruption model for the Havre raft. Here we report results from X-ray Absorption Near Edge Structure spectroscopy, magnetic measurements, TEM imaging and glass chemistry that collectively show the colour results from increasing amounts of magnetite nanolites in the raft pumice glass oxidizing to hematite. This suggests a short-lived but powerful explosive eruption phase penetrated the water column allowing hot pyroclasts to oxidise in air. Our results therefore challenge the known depth limits for explosive eruptions in the marine realm and suggest pink pumice can be an indicator of magnetite nanolite-driven explosive eruptions.
Exploring graphene oxide intrinsic electroactivity to elucidate the non-covalent interactions with DNA oligonucleotides
Authors: Liang Yaquan , Ang Wei Li , Lim Rachel Rui Xia , Bonanni Alessandra
Published: February 2022

The intrinsic electroactivity of nano-graphene oxide can be used to elucidate the interactions with DNA oligonucleotides with different sequences.
Operando electrochemical fluorination to achieve Mn4+/Mn2+ double redox in a Li2MnO3-like cathode
Authors: Liu Guang , Xu Hui , Wang Zhongheng , Li Sa
Published: February 2022

The drastic changes (Li2MnO3→Li1.67MnO2.1F0.2) in the first cycle of Li2MnO3-like through oxygen release (O2−→O2) and in operando F-doping, activated a two-electron redox of Mn4+/2+ with a capacity of 326 mA h g−1.
A radical–radical cross-coupling reaction of xanthene with sulfonyl hydrazides: facile access to xanthen-9-sulfone derivatives
Authors: Das Sumit , Roy Shantonu , Bhowmik Arup , Sarkar Writhabrata , Mondal Imtiaj , Mishra Aniket , Saha Shubhra Jyoti , Karmakar Sudip , Deb Indubhusan
Published: February 2022

A straightforward strategy for the direct incorporation of sulfonyl units into a xanthene moiety for accessing xanthen-9-sulfone derivatives has been established via metal-free radical–radical cross-coupling reaction of xanthenes and sulfonyl hydrazides.
Flexible Al2O3/ZrO2 nanofibrous membranes for thermal insulation
Authors: Li Shouzhen , Wu Fan , Zhang Xuan , Han Guangting , Si Yang , Yu Jianyong , Ding Bin
Published: February 2022

Flexible Al2O3/ZrO2 nanofibrous membranes of low density and high working temperature were fabricated by sol–gel electrospinning, and could be used for thermal-insulation applications.
Mechanistic insight into the destabilization of p53TD tetramer by cancer-related R337H mutation: a molecular dynamics study
Authors: Yu Yawei , Dong Xuewei , Tang Yiming , Li Le , Wei Guanghong
Published: February 2022

Cancer-related R337H mutation disrupts the salt bridge, π–π stacking and hydrophobic interactions, and thus induces destabilization of the p53TD tetramer.
Efficient metal borate catalysts for oxidative dehydrogenation of propane
Authors: Qian Heming , Sun Fulin , Zhang Wei , Huang Chao , Wang Yingjun , Fang Kegong
Published: February 2022

The strong binding ability of metal with boron in borate can effectively inhibit the leaching of boron from the catalyst surface and increase the electron density around boron, which facilitates the adsorption of oxygen to promote the ODHP reaction.
Rational approach for an optimized formulation of silver-exchanged zeolites for iodine capture from first-principles calculations
Authors: Ayadi Tarek , Badawi Michael , Cantrel Laurent , Lebègue Sébastien
Published: February 2022

Ab initio calculations have been carried out to investigate in detail the effect of potential inhibiting species (CO, H2O, CH3Cl and Cl2) on the adsorption of iodine species (I2 and CH3I) in silver-exchanged zeolites of different Si/Al ratios and structures.
Facile synthesis of flower-like CePO4 with a hierarchical structure for the simultaneous electrochemical detection of dopamine, uric acid and acetaminophen
Authors: Zhu Kai , Cai Xinqin , Luo Yuhui , Liu Botao , Zhang Qingyu , Hu Tongtong , Liu Zunzheng , Wu Haiying , Zhang Dongen
Published: February 2022

A flower-like CePO4 with a hierarchical structure was hydrothermally prepared for electrochemical sensing of dopamine, uric acid and acetaminophen.
Uracil-mediated supramolecular assembly for C-enriched porous carbon nitrides with enhanced photocatalytic hydrogen evolution
Authors: Wen Jiaqi , Wang Yuewei , Zhao Hao , Zhang Meng , Zhang Shuaiyang , Liu Yonggang , Zhai Yunpu
Published: February 2022

The porous structure and the introduction of C doping together improve the activity of photocatalytic hydrogen production.
A novel triruthenium nitrosyl bearing a quinolinic ligand: a comparison of its spectroscopic behavior with its pyridine analogues
Authors: Santos Nicolle Azevedo Portela dos , Silva Amanda Batista , Silva Camila Fontes Neves da , Alexiou Anamaria Dia Pereira , Nikolaou Sofia
Published: February 2022

A comparative analysis of ruthenium nitrosyl spectroscopic data helps unravel the electronic character of the unit {RuNO}6[RuIIIRuIIIO].
Synergistic catalytic hydrolysis of ammonia borane to release hydrogen over AgCo@CN
Authors: He Yating , Wu Jie , Wang Yi , Long Yan , Fan Guangyin
Published: February 2022

Synergistic catalytic AB hydrolysis to generate hydrogen was achieved over AgCo@CN synthesized by auto-reduction between Co@CN and a Ag precursor.
Mid- and far-infrared localized surface plasmon resonances in chalcogen-hyperdoped silicon
Authors: Wang Mao , Yu Ye , Prucnal Slawomir , Berencén Yonder , Shaikh Mohd Saif , Rebohle Lars , Khan Muhammad Bilal , Zviagin Vitaly , Hübner René , Pashkin Alexej , Erbe Artur , Georgiev Yordan M. , Grundmann Marius , Helm Manfred , Kirchner Robert , Zhou Shengqiang
Published: February 2022

The mid-infrared localized surface plasmon resonances are realized in hyperdoped Si and can be spectrally tuned by fabricating nano-antenna arrays. Our results are promising for the integration of plasmonic sensors into the on-chip CMOS platform.
Construction of quaternary carbon centers by KOtBu-catalyzed α-homoallylic alkylation of lactams with 1,3-dienes
Authors: Wang Shang , Xiang Yunfei , Chen Tiantian , Wu Xiang , Xing Dong
Published: February 2022

We report a KOtBu-catalyzed α-homoallylic alkylation of lactams with 1,3-dienes.
Advanced titanium dioxide fluidizable nanowire photocatalysts
Authors: Reilly Kevin , Adeli Babak , Fang Baizeng , Wilkinson David P. , Taghipour Fariborz
Published: February 2022

Fluidization is known to minimize the adverse effects of mass-transfer, poor radiation distribution, parasitic back-reactions and photocatalyst handling, which limit the scalability of immobilized-film and suspended slurry photocatalysts.
An efficient green protocol for the synthesis of 1,2,4,5-tetrasubstituted imidazoles in the presence of ZSM-11 zeolite as a reusable catalyst
Authors: Dipake Sudarshan S. , Ingale Vijayanand D. , Korde Sonali A. , Lande Machhindra K. , Rajbhoj Anjali S. , Gaikwad Suresh T.
Published: February 2022

We synthesized a series of ZSM-11 zeolite catalysts, investigating the effect of varying the reaction time interval from 18 to 48 h. The ZSM-11 zeolite (48 h) has higher catalytic activity for the synthesis of 1,2,4,5-tetrasubstituted imidazoles.
Optimization of the adsorption and removal of Sb(iii) by MIL-53(Fe)/GO using response surface methodology
Authors: Yang Xiuzhen , Zhang Haolin , Cheng Shuangchan , Zhou Bin
Published: February 2022

In this study, a graphene oxide metal–organic framework (MIL-53(Fe)/GO) composite adsorbent was successfully synthesized using a simple method at room temperature.
Conductive polymer doped two-dimensional MXene materials: opening the channel of magnesium ion transport
Authors: Zhang Ruinan , Liu Qing , Wang Zhizheng , Yang Xiaodong , Guo Yuxiang
Published: February 2022

A simple preparation method is used to obtain two-dimensional MXene material doped with a conductive polymer, which is used as cathode material of magnesium ion batteries to open the transmission channel of magnesium ions.
N-Phenyl-substituted poly(benzimidazole imide)s with high glass transition temperature and low coefficient of thermal expansion
Authors: Li Dandan , Wang Chengyang , Yan Xiaoying , Ma Shengqi , Lu Ran , Chen Chunhai , Qian Guangtao , Zhou Hongwei
Published: February 2022

N-PhPABZ successfully cured the brittleness of PMDA-based poly(benzimidazole imide)s. N-PhPABZ-PMDA film illustrated an extremely high Tg of 486 °C and a low CTE of 9.7 ppm K−1.
Liquid cooling system for battery modules with boron nitride based thermal conductivity silicone grease
Authors: Ge Xin , Chen Youpeng , Liu Weidong , Zhang Guoqing , Li Xinxi , Ge Jianfang , Li Canbing
Published: February 2022

Heat-conductive silicone grease (HCSG), one of the most common composite thermal interface materials (TIMs) used in many advanced applications, is limited by its low thermal conductivity (TC).
Low-temperature thermal conversion of Al-substituted goethite in gibbsitic bauxite for maximum alumina extraction
Authors: Zhou Guotao , Wang Yilin , Qi Tiangui , Zhou Qiusheng , Liu Guihua , Peng Zhihong , Li Xiaobin
Published: February 2022

Low-temperature roasting can improve the conversion of Al-goethite in gibbsitic bauxite to porous Al-hematite, and favor increasing the alumina extraction during Bayer digestion and enrichment of iron minerals in red mud.
Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives
Authors: Reyes-Bravo Enrique , Gnecco Dino , Juárez Jorge R. , Orea María L. , Bernès Sylvain , Aparicio David M. , Terán Joel L.
Published: February 2022

The synthesis of new chiral highly functionalized zwitterionic bicyclic lactams starting from acyclic β-enaminoesters derived from (R)-(−)-2-phenylglycinol is described.
Highly regioselective and diastereodivergent aminomethylative annulation of dienyl alcohols enabled by a hydrogen-bonding assisting effect
Authors: Huang Yao , Zou Suchen , Yu Bangkui , Yan Xuyang , Liu Song , Huang Hanmin
Published: February 2022

An efficient hydrogen-bonding assisted directing strategy has been identified, which enables the Pd-catalyzed highly regioselective and diastereodivergent 3,4-difunctionalized aminomethylative annulation of dienyl alcohols with aminals.
Highly reversible zinc metal anodes enabled by protonated melamine
Authors: Huang Cong , Zhao Xin , Hao Yisu , Yang Yujie , Qian Yang , Chang Ge , Zhang Yan , Tang Qunli , Hu Aiping , Liu Zhixiao , Chen Xiaohua
Published: February 2022

This work reveals the protonation reaction of melamine (Mel) in ZnSO4 electrolyte. It is demonstrated that protonated Mel is capable of regulating the electrical double layer structure for suppressing the side reactions and dendrite formation.
Recent advances of zwitterionic-based topological polymers for biomedical applications
Authors: Zhang Miao , Yu Peng , Xie Jing , Li Jianshu
Published: February 2022

Zwitterionic-based topological polymers and their derivatives possess diverse topological structures and have been widely used in biomedical fields.
Lanthanide-doped inorganic halide perovskites (CsPbX3): novel properties and emerging applications
Authors: Kachhap Santosh , Singh Sachin , Singh Akhilesh Kumar , Singh Sunil Kumar
Published: February 2022

Inorganic halide perovskites (IHPs) have provoked intense research efforts because of their superior stability, excellent optoelectronic properties, cost-effectiveness, and striking optoelectronic applications.
Theoretical insights into non-Arrhenius behaviors of thermal vacancies in anharmonic crystals
Authors: Cuong Tran Dinh , Phan Anh D.
Published: February 2022

Vacancies are prevalent point defects in crystals, but their thermal responses are elusive. Herein, we formulate a simple theoretical model to shed light on the vacancy evolution during heating.
Performance study of μDMFC with foamed metal cathode current collector
Authors: Zhang Fan , Zhang Yanhui , Luo Chuan , Zhang Dacheng , Zhao Zhengang
Published: February 2022

Micro Direct Methanol Fuel Cells (μDMFCs) often have application in moveable power due to their green and portable nature.
A robust and accurate discrete Fourier transform‐based phasor estimation method for frequency domain fault location of power transmission lines
Authors: Liang Yuansheng , Zhang Zihong , Li Haifeng , Ding Jiayan , Wang Gang , Chen Lixin
Published: February 2022

Frequency domain methods had been commonly used in power transmission line fault location. To improve the accuracy of frequency domain fault location methods, this paper studies a robust and accurate discrete Fourier transform (DFT)‐based phasor estimation method. First, this paper analyses the deviation characteristics of DFT output phasors caused by decaying DC components with data window sliding. Based on these characteristics, this paper employs rotation factor computation to construct linear equations for the purpose of estimating the accurate fundamental frequency phasor during fault transient process. In this way, the accurate fundamental frequency phasor can be calculated by a two‐step linear operation. Furthermore, to eliminate the effect of off‐nominal frequency, the proposed method adjusts frequency deviation by using interpolation method. To further enhance the robustness for frequency domain fault location, the PauTa criterion is used to exclude the anomalous equations in the phasor estimation process. Finally, electro‐magnetic fault simulation is used to evaluate the proposed method. The test results demonstrate that the proposed method improve the accuracy of fault location during the fault transient process.
Application of energy flow analysis in investigating machine‐side oscillations of full converter‐based wind generation systems
Authors: Hu Yong , Bu Siqi , Luo Jianqiang
Published: February 2022

The machine‐side oscillation (MSO) of the full converter‐based wind generation (FCWG) systems is a critical threat to the reliable wind power supply. The introduction of the auxiliary resonance controller (ARC) to the machine‐side converter (MSC) controls of FCWG can effectively improve the converter‐driven stability of the power grid, but it would also complicate MSOs of FCWG. Thus, it is of great significance to study the damping feature of MSOs of FCWG. In this paper, the energy flow analysis (EFA) is applied to quantitatively investigate MSOs of FCWG. Firstly, the configuration and machine‐side control loops of FCWG are briefly introduced. Then, a mode screening‐based EFA is proposed for evaluating the damping feature of MSOs of FCWG in the time domain by applying the principle of the Laplace transform. After that, the eigenvalue analysis is conducted for MSOs of FCWG in the frequency domain to lay a foundation for revealing the essence of EFA. On this basis, the consistency of EFA with the eigenvalue analysis is strictly proved based on the Parseval's Theorem, which is applicable for arbitrary control schemes of FCWG. Finally, the proposed EFA is applied in numerically investigating multiple types of MSOs of FCWG in case studies.
Resiliency enhancement of power system against intentional attacks
Authors: Faramarzi Farshad , Niknam Taher , Aghaei Jamshid , Rashidi Mohammadrashid
Published: February 2022

Natural disasters, man‐made attacks, and cyber‐attacks are some of the main hazards of power system which can interrupt the process of continuous power delivery to the end users. In this way, man‐made attacks characteristics’ are fundamentally different from other hazards due to its adaptive strategy that allows attackers to target the most vulnerable parts of the power system. By choosing appropriate time and place; attackers always have advantages over the defender to penetrate the system and launch malicious actions. Therefore, it is quite necessary to take into account the optimal policy for allocating resources in the defender's strategy. This research proposes a four‐level Defence–Defence–Attack–Defence (DDAD) approach to improve the power system resilience against the intentional human attacks. A new defence level, a planning level, is added to the common three‐level Defence–Attack–Defence (DAD) model in power system planning state in order to prevent cut off loads and voltage drop beyond standard with lower cost. In the proposed method, load priority is used to classify the vulnerable sections. The proposed model is performed on IEEE‐30 bus test system and the results indicate the feasibility of the proposed method. As the results indicate, in proposed method less than 10% budget is needed compared with the previous method while all critical loads will be remained. Furthermore, the new method needs no security guard to protect transmission lines for 30 years.
Model adaptation for non-linear elliptic equations in mixed form: existence of solutions and numerical strategies
Authors: Fumagalli Alessio , Patacchini Francesco Saverio
Published: February 2022

Depending on the physical and geometrical properties of a given porous medium, fluid flow can behave differently, going from a slow Darcian regime to more complicated Brinkman or even Forchheimer regimes for high velocity. The main problem is to determine where in the medium one regime is more adequate than others. In order to determine the low-speed and high-speed regions, this work proposes an adaptive strategy which is based on selecting the appropriate constitutive law linking velocity and pressure according to a threshold criterion on the magnitude of the fluid velocity itself. Both theoretical and numerical aspects are considered and investigated, showing the potentiality of the proposed approach. From the analytical viewpoint, we show existence of weak solutions to such model under reasonable hypotheses on the constitutive laws. To this end, we use a variational approach identifying solutions with minimizers of an underlying energy functional. From the numerical viewpoint, we propose a one-dimensional algorithm which tracks the transition zone between the low- and high-speed regions. By running numerical experiments using this algorithm, we illustrate some interesting behaviors of our adaptive model on academic cases and on small networks of intersecting fractures.
Occupational eye protection using Augmented Reality: a proof of concept
Authors: Deniel J.-M. , Thommet S.
Published: February 2022

Eyes can be exposed to very small and bright light sources during occupational time, such as LEDs, welding arcs and lasers. Such light sources produce an accident-generating glare. In addition, the blue part of their spectrum and their high radiance make the operator’s retina at risk for the blue-light hazard. Filters protecting workers eyes tend to make lose the perception of the environment and task, and coloured protective glasses prevent from visible laser hazards but impair seeing alignment spots. An Augmented Reality system was investigated as a widespread and low-cost way to protect the operator’s eyes without impairing environment perception. It is made using a Virtual Reality helmet holding a smartphone, whose camera replaces the operator’s eyes. Real-time image processing allows operators to work safely on LEDs in operation, welding arcs and lasers. The user can see what he/she is doing while avoiding occupational exposure and glare. With visual ergonomics in mind, this system proves to be a potentially useful type of personal protective equipment against such bright light sources. In addition, it offers the ability to detect very near infrared laser spots.