bluuebunny/crossref_metadata_2025 huggingface dataset:
Finite-size security of continuous-variable quantum key distribution with digital signal processing
Authors: Matsuura Takaya , Maeda Kento , Sasaki Toshihiko , Koashi Masato
Published: January 2021

In comparison to conventional discrete-variable (DV) quantum key distribution (QKD), continuous-variable (CV) QKD with homodyne/heterodyne measurements has distinct advantages of lower-cost implementation and affinity to wavelength division multiplexing. On the other hand, its continuous nature makes it harder to accommodate to practical signal processing, which is always discretized, leading to lack of complete security proofs so far. Here we propose a tight and robust method of estimating fidelity of an optical pulse to a coherent state via heterodyne measurements. We then construct a binary phase modulated CV-QKD protocol and prove its security in the finite-key-size regime against general coherent attacks, based on proof techniques of DV QKD. Such a complete security proof is indispensable for exploiting the benefits of CV QKD.
A persistently low level of atmospheric oxygen in Earth’s middle age
Authors: Liu Xiao-Ming , Kah Linda C. , Knoll Andrew H. , Cui Huan , Wang Chao , Bekker Andrey , Hazen Robert M.
Published: January 2021

Resolving how Earth surface redox conditions evolved through the Proterozoic Eon is fundamental to understanding how biogeochemical cycles have changed through time. The redox sensitivity of cerium relative to other rare earth elements and its uptake in carbonate minerals make the Ce anomaly (Ce/Ce*) a particularly useful proxy for capturing redox conditions in the local marine environment. Here, we report Ce/Ce* data in marine carbonate rocks through 3.5 billion years of Earth’s history, focusing in particular on the mid-Proterozoic Eon (i.e., 1.8 – 0.8 Ga). To better understand the role of atmospheric oxygenation, we use Ce/Ce* data to estimate the partial pressure of atmospheric oxygen (pO2) through this time. Our thermodynamics-based modeling supports a major rise in atmospheric oxygen level in the aftermath of the Great Oxidation Event (~ 2.4 Ga), followed by invariant pO2of about 1% of present atmospheric level through most of the Proterozoic Eon (2.4 to 0.65 Ga).
Age-related and disease locus-specific mechanisms contribute to early remodelling of chromatin structure in Huntington’s disease mice
Authors: Alcalá-Vida Rafael , Seguin Jonathan , Lotz Caroline , Molitor Anne M. , Irastorza-Azcarate Ibai , Awada Ali , Karasu Nezih , Bombardier Aurélie , Cosquer Brigitte , Skarmeta Jose Luis Gomez , Cassel Jean-Christophe , Boutillier Anne-Laurence , Sexton Thomas , Merienne Karine
Published: January 2021

Temporal dynamics and mechanisms underlying epigenetic changes in Huntington’s disease (HD), a neurodegenerative disease primarily affecting the striatum, remain unclear. Using a slowly progressing knockin mouse model, we profile the HD striatal chromatin landscape at two early disease stages. Data integration with cell type-specific striatal enhancer and transcriptomic databases demonstrates acceleration of age-related epigenetic remodelling and transcriptional changes at neuronal- and glial-specific genes from prodromal stage, before the onset of motor deficits. We also find that 3D chromatin architecture, while generally preserved at neuronal enhancers, is altered at the disease locus. Specifically, we find that the HD mutation, a CAG expansion in theHttgene, locally impairs the spatial chromatin organization and proximal gene regulation. Thus, our data provide evidence for two early and distinct mechanisms underlying chromatin structure changes in the HD striatum, correlating with transcriptional changes: the HD mutation globally accelerates age-dependent epigenetic and transcriptional reprogramming of brain cell identities, and locally affects 3D chromatin organization.
Engineered dual selection for directed evolution of SpCas9 PAM specificity
Authors: Goldberg Gregory W. , Spencer Jeffrey M. , Giganti David O. , Camellato Brendan R. , Agmon Neta , Ichikawa David M. , Boeke Jef D. , Noyes Marcus B.
Published: January 2021

The widely used Streptococcus pyogenes Cas9 (SpCas9) nuclease derives its DNA targeting specificity from protein-DNA contacts with protospacer adjacent motif (PAM) sequences, in addition to base-pairing interactions between its guide RNA and target DNA. Previous reports have established that the PAM specificity of SpCas9 can be altered via positive selection procedures for directed evolution or other protein engineering strategies. Here we exploit in vivo directed evolution systems that incorporate simultaneous positive and negative selection to evolve SpCas9 variants with commensurate or improved activity on NAG PAMs relative to wild type and reduced activity on NGG PAMs, particularly YGG PAMs. We also show that the PAM preferences of available evolutionary intermediates effectively determine whether similar counterselection PAMs elicit different selection stringencies, and demonstrate that negative selection can be specifically increased in a yeast selection system through the fusion of compensatory zinc fingers to SpCas9.
Contextual dependencies expand the re-usability of genetic inverters
Authors: Tas Huseyin , Grozinger Lewis , Stoof Ruud , de Lorenzo Victor , Goñi-Moreno Ángel
Published: January 2021

The implementation of Boolean logic circuits in cells have become a very active field within synthetic biology. Although these are mostly focussed on the genetic components alone, the context in which the circuit performs is crucial for its outcome. We characterise 20 genetic NOT logic gates in up to 7 bacterial-based contexts each, to generate 135 different functions. The contexts we focus on are combinations of four plasmid backbones and three hosts, two Escherichia coli and one Pseudomonas putida strains. Each gate shows seven different dynamic behaviours, depending on the context. That is, gates can be fine-tuned by changing only contextual parameters, thus improving the compatibility between gates. Finally, we analyse portability by measuring, scoring, and comparing gate performance across contexts. Rather than being a limitation, we argue that the effect of the genetic background on synthetic constructs expands functionality, and advocate for considering context as a fundamental design parameter.
Comparison of oral microbiome profiles in 18-month-old infants and their parents
Authors: Jo Ryutaro , Yama Kazuma , Aita Yuto , Tsutsumi Kota , Ishihara Chikako , Maruyama Masato , Takeda Kaori , Nishinaga Eiji , Shibasaki Ken-ichiro , Morishima Seiji
Published: January 2021

The onset and progress of dental caries and periodontal disease is associated with the oral microbiome. Therefore, it is important to understand the factors that influence oral microbiome formation. One of the factors that influence oral microbiome formation is the transmission of oral bacteria from parents. However, it remains unclear when the transmission begins, and the difference in contributions of father and mother. Here, we focused on the oral microbiome of 18-month-old infants, at which age deciduous dentition is formed and the oral microbiome is likely to become stable, with that of their parents. We collected saliva from forty 18-month-old infants and their parents and compared the diversity and composition of the microbiome using next-generation sequencing of 16S rRNA genes. The results showed that microbial diversity in infants was significantly lower than that in parents and composition of microbiome were significantly different between infants and parents. Meanwhile, the microbiome of the infants was more similar to that of their mothers than unrelated adults. The bacteria highly shared between infants and parents included not only commensal bacteria but also disease related bacteria. These results suggested that the oral microbiome of the parents influences that of their children aged < 18 months.
Comparison of the effectiveness of single- and multiple-sessions disinfection protocols against endotoxins in root canal infections: systematic review and meta-analysis
Authors: Nascimento Gustavo G. , Rabello Diego G. D. , Corazza Bruna J. M. , Gomes Ana P. M. , Silva Eduardo G. , Martinho Frederico C.
Published: January 2021

This systematic review (SR) addressed the following common clinical question: What is more effective in reducing or eliminating endotoxin in endodontic infections—single or multiple-session treatments using calcium hydroxide medications? Literature searches of Medline/PubMed, Embase, Cochrane Library, Scielo, Science Direct, Web of Knowledge, Scopus, and Google Scholar databases. Two reviewers independently assessed the eligibility for inclusion, extracted data, and evaluated the quality of the studies using the risk of bias tools. Electronic searches resulted in 358 articles, of which 32 studies were included for full-text assessment, and nine were included in this review. Meta-analysis pooling all the nine studies revealed lower levels of endotoxin for multiple-session treatment (P < 0.001). The sub-group analysis indicated no difference between single-session and 7 days of Ca(OH)2 medication (SMD − 0.32; P = 0.22). However, 14-days (I2 = 80.5%, P < 0.001) and 30-days (I2 = 78.9%, P < 0.01) of Ca(OH)2 medication was more effective than single-session treatment (both, p < 0.001). Overall, Overall, this SR provides evidence to support that multiple-session disinfection protocols with the placement of Ca(OH)2 medications are more effective in reducing the levels of endotoxin from root canal infections compared to single-session when applied for 14 and 30 days.
A comprehensive study on the microstructure evolution and oxidation resistance of conventional and nanocrystalline MCrAlY coatings
Authors: Ghadami Farzin , Sabour Rouh Aghdam Alireza , Ghadami Soheil
Published: January 2021

Conventional and nanocrystalline MCrAlY coatings were applied by the high-velocity oxy-fuel (HVOF) deposition process. The ball-milling method was used to prepare the nanocrystalline MCrAlY powder feedstock. The microstructure examinations of the conventional and nanocrystalline powders and coatings were performed using X-ray diffraction (XRD), high-resolution field emission scanning electron microscope (FESEM) equipped with energy-dispersive X-ray spectroscopy (EDX), transmission electron microscope (TEM), and X-ray photoelectron spectroscopy (XPS). Williamson–Hall analyzing method was also used for estimation of the crystalline size and lattice strain of the as-milled powders and sprayed coatings. Owing to the investigation of the oxidation behavior, the freestanding coatings were subjected to isothermal and cyclic oxidation testing at 1000 and 1100 °C under static air. The results showed that the conventional as-sprayed MCrAlY coating had a parabolic behavior in the early stage and prolonged oxidation process. On the contrary, in the case of the nanocrystalline MCrAlY coating, the long-term oxidation behavior has deviated from parabolic to sub-parabolic rate law. Moreover, the results also exemplified that the nanocrystalline MCrAlY coating had a greater oxidation resistance following the creation of a continuous and slow-growing Al2O3 scale with a fine-grained structure. The nucleation and growth mechanisms of the oxides formed on the nanocrystalline coating have also been discussed in detail.
Severe retinopathy of prematurity is associated with early post-natal low platelet count
Authors: Parrozzani Raffaele , Nacci Elisabetta Beatrice , Bini Silvia , Marchione Giulia , Salvadori Sabrina , Nardo Daniel , Midena Edoardo
Published: January 2021

Pathophysiology of retinopathy of prematurity (ROP) still presents a gap. Lately blood tests parameters of premature infants have been measured at different times of ROP, attempting to detect correlations with ROP development and progression. So far, very early post-natal biomarkers, predictive of ROP outcome, have not been detected. Our purpose is to evaluate, in the earliest post birth blood sample, the correlation between routinely dosed blood parameters and ROP outcome. 563 preterm babies, screened according to ROP guidelines, were included and classified in conformity with ET-ROP study in “Group 1” (ROP needing treatment), “Group 2” (ROP spontaneously regressed) and “noROP” group (never developed ROP). The earliest (within an hour after delivery) blood test parameters routinely dosed in each preterm infant were collected. Platelet count was decreased in Group 1 versus noROP group (p = 0.0416) and in Group 2 versus noROP group (p = 0.1093). The difference of thrombocytopenic infants among groups was statistically significant (p = 0.0071). CRP was higher in noROP versus all ROPs (p = 0.0331). First post-natal blood sample revealed a significant thrombocytopenia in ROP needing treatment, suggesting a role of platelets in the pathophysiology and progression of ROP, possibly considering it as a predictive parameter of ROP evolution.
Application of self-assembly peptides targeting the mitochondria as a novel treatment for sorafenib-resistant hepatocellular carcinoma cells
Authors: Hong Tae Ho , Jeena M. T. , Kim Ok-Hee , Kim Kee-Hwan , Choi Ho Joong , Lee Kyung Hee , Hong Ha-Eun , Ryu Ja-Hyoung , Kim Say-June
Published: January 2021

Currently, there is no appropriate treatment option for patients with sorafenib-resistant hepatocellular carcinoma (HCC). Meanwhile, pronounced anticancer activities of newly-developed mitochondria-accumulating self-assembly peptides (Mito-FF) have been demonstrated. This study intended to determine the anticancer effects of Mito-FF against sorafenib-resistant Huh7 (Huh7-R) cells. Compared to sorafenib, Mito-FF led to the generation of relatively higher amounts of mitochondrial reactive oxygen species (ROS) as well as the greater reduction in the expression of antioxidant enzymes (P < 0.05). Mito-FF was found to significantly promote cell apoptosis while inhibiting cell proliferation of Huh7-R cells. Mito-FF also reduces the expression of antioxidant enzymes while significantly increasing mitochondrial ROS in Huh7-R cells. The pro-apoptotic effect of Mito-FFs for Huh7-R cells is possibly caused by their up-regulation of mitochondrial ROS, which is caused by the destruction of the mitochondria of HCC cells.
A pilot study of eDNA metabarcoding to estimate plant biodiversity by an alpine glacier core (Adamello glacier, North Italy)
Authors: Varotto Claudio , Pindo Massimo , Bertoni Elena , Casarotto Christian , Camin Federica , Girardi Matteo , Maggi Valter , Cristofori Antonella
Published: January 2021

Current biodiversity loss is a major concern and thus biodiversity assessment of modern ecosystems is compelling and needs to be contextualized on a longer timescale. High Throughput Sequencing (HTS) is progressively becoming a major source of data on biodiversity time series. In this multi proxy study, we tested, for the first time, the potential of HTS to estimate plant biodiversity archived in the surface layers of a temperate alpine glacier, amplifying the trnL barcode for vascular plants from eDNA of firn samples. A 573 cm long core was drilled by the Adamello glacier and cut into sections; produced samples were analyzed for physical properties, stable isotope ratio, and plant biodiversity by eDNA metabarcoding and conventional light microscopy analysis. Results highlighted the presence of pollen and plant remains within the distinct layers of snow, firn and ice. While stable isotope ratio showed a scarcely informative pattern, DNA metabarcoding described distinct plant species composition among the different samples, with a broad taxonomic representation of the biodiversity of the catchment area and a high-ranking resolution. New knowledge on climate and plant biodiversity changes of large catchment areas can be obtained by this novel approach, relevant for future estimates of climate change effects.
Yarn tension control technique for improving polyester soft winding process
Authors: Ali Mohamed , Ahmed Rana , Amer Motaz
Published: January 2021

The textile industry has a great role in the improvement of any country’s economy. Moreover, the ready-made garments need different coloured high yarn quality, so yarn should be rewinded on plastic cones for dyeing. However, manufacturers are facing the problem of tension variation during soft winding process that mainly affects the yarn quality. Consequently, to overcome the tension variation drawbacks, the attainment of constant optimal tension values is required in order to: (1) Increase the winding speed while maintaining the yarn quality, (2) Improve the dyeing quality, and (3) Reduce the water consumption during the dyeing process. In this paper, a proposed yarn tension control technique is introduced to upgrade the soft winding machine, thus maintain the yarn quality and improve the manufacturing capacity. The proposed technique has been tested on Polyester yarn samples classified as; fine, medium and coarse yarn counts, to cover most yarn sizes used in the industry. Arduino Mega 2560 controller is utilized to implement the proposed tension control. The results are compared to the conventional system to advocate the effectiveness and capability of the proposed technique in overcoming the trade-off between tension control and machine speed that occurs in conventional system using variable tension levels.
Identification and mapping of quantitative trait loci for resistance to Liriomyza trifolii in romaine lettuce cultivar ‘Valmaine’
Authors: Kandel Ramkrishna , Lu Huangjun , Sandoya Germán V.
Published: January 2021

Liriomyza trifolii (Diptera: Agromyzidae) is a leafminer that causes ruinous damage to many leafy vegetables including lettuce (Lactuca sativa L.) by stippling and tunneling the leaves. In this study, a population of 125 F3 families was developed from the intraspecific cross of ‘Valmaine’ (resistant) and ‘Okeechobee’ (susceptible) romaine cultivars for inheritance analysis and molecular mapping of the resistance loci controlling stippling damage. The experiments were conducted in an insectarium (controlled environment). Stippling damage proved to be heritable because the broad-sense heritability (H2) was 0.58. A segregation analysis suggested that a single dominant allele, Sd1 locus, controls resistance against L. trifolii. Furthermore, a quantitative trait loci (QTL) analysis identified one novel QTL, named Stippling on LG5 (qSTP5), flanked by two SNPs that were mapped to a 5.2 cM (8.5 Mb region) interval, explaining over 13% of the total phenotypic variance. Desirable allele for resistance to L. trifolii was derived from resistant cultivar Valmaine. Identification of SNPs closely linked to the QTL responsible for L. trifolii resistance should facilitate plant breeders to develop resistant romaine lettuce cultivars.
Deep learning based prediction of prognosis in nonmetastatic clear cell renal cell carcinoma
Authors: Byun Seok-Soo , Heo Tak Sung , Choi Jeong Myeong , Jeong Yeong Seok , Kim Yu Seop , Lee Won Ki , Kim Chulho
Published: January 2021

Survival analyses for malignancies, including renal cell carcinoma (RCC), have primarily been conducted using the Cox proportional hazards (CPH) model. We compared the random survival forest (RSF) and DeepSurv models with the CPH model to predict recurrence-free survival (RFS) and cancer-specific survival (CSS) in non-metastatic clear cell RCC (nm-cRCC) patients. Our cohort included 2139 nm-cRCC patients who underwent curative-intent surgery at six Korean institutions between 2000 and 2014. The data of two largest hospitals’ patients were assigned into the training and validation dataset, and the data of the remaining hospitals were assigned into the external validation dataset. The performance of the RSF and DeepSurv models was compared with that of CPH using Harrel’s C-index. During the follow-up, recurrence and cancer-specific deaths were recorded in 190 (12.7%) and 108 (7.0%) patients, respectively, in the training-dataset. Harrel’s C-indices for RFS in the test-dataset were 0.794, 0.789, and 0.802 for CPH, RSF, and DeepSurv, respectively. Harrel’s C-indices for CSS in the test-dataset were 0.831, 0.790, and 0.834 for CPH, RSF, and DeepSurv, respectively. In predicting RFS and CSS in nm-cRCC patients, the performance of DeepSurv was superior to that of CPH and RSF. In no distant time, deep learning-based survival predictions may be useful in RCC patients.
Community structure of fungal pathogens causing spikelet rot disease of naked oat from different ecological regions of China
Authors: Liu Longlong , Ma Mingchuan , Liu Zhang , Zhang Lijun , Zhou Jianping
Published: January 2021

Spikelet rot disease (SRD) is an emerging disease of the grain surface of naked oat in China that affects both grain yield and quality. The typical symptom is discoloration from the black structures of the causal fungi. Here, we investigated the fungal communities on the grain surfaces of cultivar Bayou 13 grown in ten ecological oat-producing regions of China, to identify the main pathogens of naked oat SRD. Our results showed that the growth of Alternaria spp. and Davidiella spp. exhibited a competitive relationship and was mainly affected by the elevations of all 10 ecological regions. The dominant pathogens were Davidiella spp. in Shannan Prefecture in Tibet and Haidong Prefecture in Qinghai Province and Alternaria spp. in the other eight regions. The ratios of black pathogens of interest to all pathogens in Shannan Prefecture and Haidong Prefecture were significantly lower than those of the other eight regions, thus indicating that SRD mainly occurred in regions below 2000 m (elevation). We isolated black fungal pathogens from grain surfaces and deduced that they were Alternaria spp. by sequence comparison. The blackened appearance of the grain surfaces was more evident under spray inoculation with a spore suspension of Alternaria than under the control in greenhouse experiments. The recovered pathogen was the same as the pathogen used for inoculation. We thus concluded that Alternaria alone causes naked oat SRD and mainly infects naked oat in regions below 2000 m, which provides a basis for the recognition and management of SRD of naked oat.
A coma-free super-high resolution optical spectrometer using 44 high dispersion sub-gratings
Authors: Tu Hua-Tian , Jiang An-Qing , Chen Jian-Ke , Lu Wei-Jie , Zang Kai-Yan , Tang Hao-Qi , Yoshie Osamu , Xiang Xiao-Dong , Lee Young-Pak , Zhao Hai-Bin , Zheng Yu-Xiang , Wang Song-You , Guo Junpeng , Zhang Rong-Jun , Li Jing , Yang Yue-Mei , Lynch W. D. , Chen Liang-Yao
Published: January 2021

Unlike the single grating Czerny–Turner configuration spectrometers, a super-high spectral resolution optical spectrometer with zero coma aberration is first experimentally demonstrated by using a compound integrated diffraction grating module consisting of 44 high dispersion sub-gratings and a two-dimensional backside-illuminated charge-coupled device array photodetector. The demonstrated super-high resolution spectrometer gives 0.005 nm (5 pm) spectral resolution in ultra-violet range and 0.01 nm spectral resolution in the visible range, as well as a uniform efficiency of diffraction in a broad 200 nm to 1000 nm wavelength region. Our new zero-off-axis spectrometer configuration has the unique merit that enables it to be used for a wide range of spectral sensing and measurement applications.
Green synthesis of selenium nanoparticles mediated from Ceropegia bulbosa Roxb extract and its cytotoxicity, antimicrobial, mosquitocidal and photocatalytic activities
Authors: Cittrarasu Vetrivel , Kaliannan Durairaj , Dharman Kalaimurugan , Maluventhen Viji , Easwaran Murugesh , Liu Wen Chao , Balasubramanian Balamuralikrishnan , Arumugam Maruthupandian
Published: January 2021

The present study is to design an eco-friendly mode to rapidly synthesize selenium nanoparticles (SeNPs) through Ceropegia bulbosa tuber’s aqueous extracts and confirming SeNPs synthesis by UV–Vis spectroscopy, FT-IR, XRD, FE-SEM-EDS mapping, HR-TEM, DLS and zeta potential analysis. In addition, to assess the anti-cancer efficacy of the SeNPs against the cultured MDA-MB-231, as studies have shown SeNPs biosynthesis downregulates the cancer cells when compared to normal HBL100 cell lines. The study observed the IC50 value of SeNPs against MDA-MB-231 cells was 34 µg/mL for 48 h. Furthermore, the SeNPs promotes growth inhibitory effects of certain clinical pathogens such as Bacillus subtilis and Escherichia coli. Apart, from this the SeNPs has shown larvicidal activity after 24 h exposure in Aedes albopitus mosquito’s larvae with a maximum of 250 g/mL mortality concentration. This is confirmed by the histopathology results taken at the 4th larval stage. The histopathological studies revealed intense deterioration in the hindgut, epithelial cells, mid gut and cortex region of the larvae. Finally, tried to investigate the photocatalytic activity of SeNPs against the toxic dye, methylene blue using halogen lamp and obtained 96% degradation results. Withal computational study SeNPs was shown to exhibit consistent stability towards breast cancer protein BRCA2. Overall, our findings suggest SeNPs as a potent disruptive agent for MDA-MB-231 cells, few pathogens, mosquito larvae and boosts the photocatalytic dye degradation.
Modeling of trees failure under windstorm in harvested Hyrcanian forests using machine learning techniques
Authors: Jahani Ali , Saffariha Maryam
Published: January 2021

In managed forests, windstorm disturbances reduce the yield of timber by imposing the costs of unscheduled clear-cutting or thinning operations. Hyrcanian forests are affected by permanent winds, with more than 100 km/h which cause damage forest trees and in result of the tree harvesting and gap creation in forest stands, many trees failure accidents happen annually. Using machine learning approaches, we aimed to compare the multi-layer perceptron (MLP) neural network, radial basis function neural network (RBFNN) and support vector machine (SVM) models for identifying susceptible trees in windstorm disturbances. Therefore, we recorded 15 variables in 600 sample plots which are divided into two categories: 1. Stand variables and 2.Tree variables. We developed the tree failure model (TFM) by artificial intelligence techniques such as MLP, RBFNN, and SVM. The MLP model represents the highest accuracy of target trees classification in training (100%), test (93.3%) and all data sets (97.7%). The values of the mean of trees height, tree crown diameter, target tree height are prioritized respectively as the most significant inputs which influence tree susceptibility in windstorm disturbances. The results of MLP modeling defined TFMmlp as a comparative impact assessment model in susceptible tree identification in Hyrcanian forests where the tree failure is in result of the susceptibility of remained trees after wood harvesting. The TFMmlp is applicable in Hyrcanian forest management planning for wood harvesting to decrease the rate of tree failure after wood harvesting and a tree cutting plan could be modified based on designed environmental decision support system tool to reduce the risk of trees failure in wind circulations.
Development of a machine learning model for predicting pediatric mortality in the early stages of intensive care unit admission
Authors: Lee Bongjin , Kim Kyunghoon , Hwang Hyejin , Kim You Sun , Chung Eun Hee , Yoon Jong-Seo , Cho Hwa Jin , Park June Dong
Published: January 2021

The aim of this study was to develop a predictive model of pediatric mortality in the early stages of intensive care unit (ICU) admission using machine learning. Patients less than 18 years old who were admitted to ICUs at four tertiary referral hospitals were enrolled. Three hospitals were designated as the derivation cohort for machine learning model development and internal validation, and the other hospital was designated as the validation cohort for external validation. We developed a random forest (RF) model that predicts pediatric mortality within 72 h of ICU admission, evaluated its performance, and compared it with the Pediatric Index of Mortality 3 (PIM 3). The area under the receiver operating characteristic curve (AUROC) of RF model was 0.942 (95% confidence interval [CI] = 0.912–0.972) in the derivation cohort and 0.906 (95% CI = 0.900–0.912) in the validation cohort. In contrast, the AUROC of PIM 3 was 0.892 (95% CI = 0.878–0.906) in the derivation cohort and 0.845 (95% CI = 0.817–0.873) in the validation cohort. The RF model in our study showed improved predictive performance in terms of both internal and external validation and was superior even when compared to PIM 3.
Hybrid nanofluid flow within the conical gap between the cone and the surface of a rotating disk
Authors: Gul Taza , Kashifullah  , Bilal M. , Alghamdi Wajdi , Asjad M. Imran , Abdeljawad Thabet
Published: January 2021

The thermal management of the flow of the hybrid nanofluid within the conical gap between a cone and a disk is analyzed. Four different cases of flow are examined, including (1) stationary cone rotating disk (2) rotating cone stationary disk (3) rotating cone and disk in the same direction and (4) rotating cone and disk in the opposite directions. The magnetic field of strength $$B_{0}$$

B
0

is added to the modeled problem that is applied along the z-direction. This work actually explores the role of the heat transfer, which performs in a plate-cone viscometer. A special type of hybrid nanoliquid containing copper Cu and magnetic ferrite Fe3O4 nanoparticles are considered. The similarity transformations have been used to alter the modeled from partial differential equations (PDEs) to the ordinary differential equations (ODEs). The modeled problem is analytically treated with the Homotopy analysis method HAM and the numerical ND-solve method has been used for the comparison. The numerical outputs for the temperature gradient are tabulated against physical pertinent variables. In particular, it is concluded that increment in volume fraction of both nanoparticles $$\left( {\phi_{{Fe_{3} O_{4} }} ,\phi_{Cu} } \right)$$

ϕ

F

e
3

O
4

,

ϕ

Cu

effectively enhanced the thermal transmission rate and velocity of base fluid. The desired cooling of disk-cone instruments can be gained for a rotating disk with a fixed cone, while the surface temperature remains constant.
In utero exposure to ritodrine during pregnancy and risk of autism in their offspring until 8 years of age
Authors: Chae Jungsoo , Cho Geum Joon , Oh Min-Jeong , Park KeonVin , Han Sung Won , Choi Suk-Joo , Oh Soo-young , Roh Cheong-Rae
Published: January 2021

Beta-2 adrenergic receptor (B2AR) agonists, used as asthma treatments and tocolytics during pregnancy, have recently been reported to be associated with autism in their offspring. However, the particular link between autism and ritodrine, a common type of B2AR agonist used solely as tocolytics, has never been substantiated with any nationwide database. Thus, we aimed to examine the association between in utero exposure of ritodrine and the risk of autism in their offspring using a national database. This population-based cohort study was conducted by merging the Korea National Health Insurance claims database and National Health Screening Program for Infants and Children database. These databases included all women who had delivered singleton between January 2007 and December 2008 in Korea. Out of the total 770,016 mothers, 30,959 (4.02%) were exposed to ritodrine during pregnancy, and 5583 (0.73%) of their children were identified as having autism, defined until 8 years of age. According to our analysis, the overall cumulative incidence of autism up to 8 years was 1.37% in ritodrine exposure group and 0.70% in ritodrine non-exposure group (p < 0.05, log-rank test). By Cox proportional hazard analysis, use of ritodrine in preterm birth was associated with significantly higher hazard of autism [adjusted hazard ratio: 1.23, 95% CI 1.04–1.47], after adjusting for confounding variables including maternal age, parity, cesarean section, preterm labor, steroid use, birth weight, gender, and preeclampsia. Thus, in utero exposure to ritodrine was associated with an increased risk of autism in their offspring.
Two-dimensional spreading properties and sealing characteristics of fluorocarbon surfactants on several typical hydrocarbon fuels
Authors: Jia Xuhong , Luo Yuzhen , Huang Rui , Zhu Xinhua , Zhang Yuqiang , Liu Quanyi
Published: January 2021

A new method for studying the two-dimensional spreading properties and sealing characteristics of surfactant solution on oil surface was provided. The actual spreading situation of the C4-Br/oil systems in axisymmetric geometry was observed directly using HD camera for the first time and the results showed that the aqueous film expanded outwards in a circle with the guiding device as the center. Meanwhile, the relation between spreading radius and time was investigated and evaluated using the model for surface-tension-viscous regime. The root-mean-square deviation (RMSD) values obtained from the correlation for all of the systems we studied below 1.64, indicating a good agreement between the experimental and theoretical values. The results of sealing experiments showed that the aqueous film could absolutely seal the oil surface for 27–65 s and the sealing effect would be lost after 216–742 s for different systems. The stronger the volatility was, the shorter the sealing time was. Additionally, the volume percentage of oil vapor with film was always lower than that without film even when the evaporation was saturated. These findings were of great significance to guide the preparation of efficient AFFF.
Continuous borehole optical televiewing reveals variable englacial debris concentrations at Khumbu Glacier, Nepal
Authors: Miles Katie E. , Hubbard Bryn , Miles Evan S. , Quincey Duncan J. , Rowan Ann V. , Kirkbride Martin , Hornsey Josephine
Published: January 2021

Surface melting of High Mountain Asian debris-covered glaciers shapes the seasonal water supply to millions of people. This melt is strongly influenced by the spatially variable thickness of the supraglacial debris layer, which is itself partially controlled by englacial debris concentration and melt-out. Here, we present measurements of deep englacial debris concentrations from debris-covered Khumbu Glacier, Nepal, based on four borehole optical televiewer logs, each up to 150 m long. The mean borehole englacial debris content is ≤ 0.7% by volume in the glacier’s mid-to-upper ablation area, and increases to 6.4% by volume near the terminus. These concentrations are higher than those reported for other valley glaciers, although those measurements relate to discrete samples while our approach yields a continuous depth profile. The vertical distribution of englacial debris increases with depth, but is also highly variable, which will complicate predictions of future rates of surface melt and debris exhumation at such glaciers.
Development and validation of an instrument for measuring Chinese chemistry teachers’ perceptions of pedagogical content knowledge for teaching chemistry core competencies
Authors: He Peng , Zheng Changlong , Li Tingting
Published: January 2021

This study aims to develop and validate a new instrument for measuring chemistry teachers’ perceptions of Pedagogical Content Knowledge for teaching Chemistry Core Competencies (PCK_CCC) in the context of new Chinese chemistry curriculum reform. The five constructs and the initial 17 items in the new instrument were contextualized by the PCK pentagon model (Park S. and Oliver J. S., (2008), J. Res. Sci. Teach., 45(7), 812–834.) with the notions of the Senior High School Chemistry Curriculum Standards (Ministry of Education, P. R. China, 2017). 210 chemistry teachers from a University-Government-School initiative voluntarily participated in this study. The findings from item analysis, confirmatory factor analysis and correlation analysis provide sufficient empirical evidence to support the convergent and discriminant validity of the instrument. The concurrent validity of the instrument was confirmed by testing mean differences among teacher demographic groups. The high Cronbach's coefficient alpha values show good internal consistency reliability of the instrument. Integrating the evidence from theory and data, we documented a valid and reliable PCK_CCC instrument with five constructs consisting of 16 items. This study provides a thorough process for developing and validating instruments that address teacher perceptions of their PCK in a particular subject domain. The valid and reliable PCK_CCC instrument would be beneficial for teacher education researchers and teacher professional programs.
Hydrogels to engineer tumor microenvironmentsin vitro
Authors: Fernando Kanishka , Kwang Leng Gek , Lim Joanne Tze Chin , Fong Eliza Li Shan
Published: January 2021

Illustration of engineered hydrogel to recapitulate aspects of the tumor microenvironment.
Anisotropic exchange interaction and field-induced SMM behaviour in a mixed valence {CoII4CoIII2} complex
Authors: Cabrosi Daiana , Cruz Carlos , Paredes-García Verónica , Alborés Pablo
Published: January 2021

We report a combined computational and experimental study of SMM behaviour in a mixed valent {CoIII2CoII4} complex with anisotropic exchange interactions.
Recent advances in the supramolecular assembly of cyclophosphazene derivatives
Authors: Uslu Aylin , Yeşilot Serkan
Published: January 2021

There is still room for improvement in supramolecular systems based on cyclophosphazene derivatives and their potential applications.
Magnetic properties of high entropy oxides
Authors: Sarkar Abhishek , Kruk Robert , Hahn Horst
Published: January 2021

This Frontier article highlights the distinctive magnetic properties of high entropy oxides and the possible research directions for future explorations.
Syntheses and evaluation of new hydrophilic azacryptands used as masking agents of technetium in solvent extraction processes
Authors: Thevenet Alexiane , Miljkovic Ana , La Cognata Sonia , Marie Cécile , Tamain Christelle , Boubals Nathalie , Mangano Carlo , Amendola Valeria , Guilbaud Philippe
Published: January 2021

New azacryptands with the addition of hydrophilic groups were synthesized to bind selectively the pertechnetate anion in nitric acid medium, and avoid its extraction in the separation process.
Optimisation of sodium-based energy storage cells using pre-sodiation: a perspective on the emerging field
Authors: Dewar Daniel , Glushenkov Alexey M.
Published: January 2021

This perspective discusses how the tool of pre-sodiation can improve sodium-based electrochemical cells; the pros and cons of available pre-sodiation methods are then evaluated.
Photocatalytic dry reforming: what is it good for?
Authors: Tavasoli Alexandra Victoria , Preston Mikaela , Ozin Geoffrey
Published: January 2021

Fifteen different case studies are presented to highlight the applications of and remaining research challenges in the field of photocatalytic dry reforming.
Engineering electrodes and metal halide perovskite materials for flexible/stretchable perovskite solar cells and light-emitting diodes
Authors: Lim Kyung-Geun , Han Tae-Hee , Lee Tae-Woo
Published: January 2021

Perspectives and strategies of flexible/stretchable perovskite optoelectronics are suggested for portable or wearable applications.
Monitoring cyanobacterial harmful algal blooms by unmanned aerial vehicles in aquatic ecosystems
Authors: Silvarrey Barruffa Alejo , Pardo Álvaro , Faggian Robert , Sposito Victor
Published: January 2021

Cyanobacterial bloom changes in spatial scale and variability can be partially addressed using UAVs, achieving efficient and accurate risk assessments.
Supercapacitive behaviour of a novel nanocomposite of 3,4,9,10-perylenetetracarboxylic acid incorporated captopril-Ag nanocluster decorated on graphene nanosheets
Authors: Goswami Tapas , Kamboj Navpreet , Bheemaraju Amarnath , Kataria Aditya , Dey Ramendra Sundar
Published: January 2021

We report a novel nanocomposite, G/PTCA/Capt-AgNC, which shows a drastic increase in specific capacitance in comparison to PTCA/Capt-AgNC.
Asymmetrical benzo[a]-fused N2O2-boron-chelated BODIPYs as red to near-infrared absorbing chromophores: synthesis, characteristics and device applications for opto-electronics
Authors: Kubo Yuji , Nozawa Toshiki , Maeda Kentaro , Hashimoto Yuta
Published: January 2021

Asymmetric benzo[a]-fused BODIPYs with benzo(thieno)[1,3,2]oxazaborinine units1–4were synthesized, not only the relationship between the structure and photophysical properties but also a potential device application being investigated.
Atomic layer deposition of nano-scale molybdenum sulfide within a metal–organic framework for highly efficient hydrodesulfurization
Authors: Yu Lei , Cui Wen-Gang , Zhang Qiang , Li Zhuo-Fei , Shen Yan , Hu Tong-Liang
Published: January 2021

AIM-X catalysts were successfully obtained by depositing MoS2 within NU-1000 through ALD. The conversion rate of the obtained AIM-60 is much better than that of the traditional MoS2/γ-Al2O3, and it can directly convert dibenzothiophene to biphenyl.
Adjustable dual temperature-sensitive hydrogel based on a self-assembly cross-linking strategy with highly stretchable and healable properties
Authors: Ge Sijia , Li Jiajia , Geng Jian , Liu Shinian , Xu Hua , Gu Zhongze
Published: January 2021

A novel PNIPAm/PNAGA double-network hydrogel based on a self-assembly cross-linking strategy was prepared for the first time. Due to the existence of various hydrogen bonds, the hydrogel exhibits a wide and adjustable dual temperature-sensitive behavior of LCST-type and UCST-type, and highly stretchable, and healable properties, which indicated great potential applications in the simulation of human skin to monitor various ambient temperatures.
Biomarker sensing platforms based on fluorescent metal nanoclusters
Authors: Romeo María V. , López-Martínez Elena , Berganza-Granda Jesús , Goñi-de-Cerio Felipe , Cortajarena Aitziber L.
Published: January 2021

Metal nanoclusters and their unique properties are increasing in importance. In this review we acknowledge their application as sensors for biomarkers and the current state in preclinical and clinical uses.
Selective deposition of metal oxide nanoflakes on graphene electrodes to obtain high-performance asymmetric micro-supercapacitors
Authors: Xia Zhenyuan , Mishukova Viktoriia , Sollami Delekta Szymon , Sun Jinhua , Sanchez Jaime S. , Li Jiantong , Palermo Vincenzo
Published: January 2021

Interdigitated asymmetric micro-supercapacitors based on Fe2O3 and MnO2 were selectively fabricated by a facile pulse current deposition (PCD) approach.
Palladium-modified cuprous(i) oxide with {100} facets for photocatalytic CO2reduction
Authors: Zhang Xiaojing , Zhao Xin , Chen Ke , Fan Yingying , Wei Shilei , Zhang Wensheng , Han Dongxue , Niu Li
Published: January 2021

Pd-deposited 100Cu2O exhibits a three-fold improvement in CO2reduction than pristine 100Cu2O owing to the promoted hole migration and light corrosion resistance, yet no enhancement is observed in 111Cu2O–Pd.
Quantification of nanoscale forces in lectin-mediated bacterial attachment and uptake into giant liposomes
Authors: Omidvar Ramin , Ayala Yareni A. , Brandel Annette , Hasenclever Lukas , Helmstädter Martin , Rohrbach Alexander , Römer Winfried , Madl Josef
Published: January 2021

Two force probing methods were used to quantify nanoscale forces in the interaction of the bacterial lectin LecA with the glycolipid Gb3, revealing how the interaction aids bacterial attachment and lowers the energy required for bacterial uptake.
Promoting CO2 electroreduction on CuO nanowires with a hydrophobic Nafion overlayer
Authors: Wang Mang , Wan Lili , Luo Jingshan
Published: January 2021

A hydrophobic electrode surface was constructed by modifying the CuO nanowire electrode with a thick Nafion overlayer, which exhibited enhanced selectivity toward the CO2 electroreduction reaction and suppressed hydrogen evolution activity.
Construction of fully substituted carbon centers containing a heteroatom and a CF3 group via in situ generated p-quinone methides
Authors: Terashima Kyu , Kawasaki-Takasuka Tomoko , Yamazaki Takashi
Published: January 2021

Facile and practical construction of heteroatom as well as CF3-containing fully substituted carbon centers was realized by 1,6-conjugate additions of a variety of heteronucleophiles to in situ generated δ-CF3-δ-substituted p-quinone methides.
A red luminescent Eu3+ doped conjugated microporous polymer for highly sensitive and selective detection of aluminum ions
Authors: Niu Tianhui , Yao Chan , Xie Wei , Zhang Shuran , Xu Yanhong
Published: January 2021

A Eu3+ doped-CMP composite can be used as a chemosensor for highly sensitive and selective detection of Al3+.
Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters
Authors: Payne Jack , McKeown Paul , Driscoll Oliver , Kociok-Köhn Gabriele , Emanuelsson Emma A. C. , Jones Matthew D.
Published: January 2021

A series of Mg(ii) and Zn(ii) catalen complexes have been prepared for PLA formation and recycling.
Introduction to hollow structures for energy applications
Authors: Wang Dan
Published: January 2021

Dan Wang introduces the Materials Chemistry Frontiers themed issue on hollow structures for energy applications.
Enantioselective synthesis of chiral porphyrin macrocyclic hosts and kinetic enantiorecognition of viologen guests
Authors: Gilissen Pieter J. , Slootbeek Annemiek D. , Ouyang Jiangkun , Vanthuyne Nicolas , Bakker Rob , Elemans Johannes A. A. W. , Nolte Roeland J. M.
Published: January 2021

Chiral guests display kinetic stereoselective threading through chiral porphyrin cages if their chirality is located at the chain ends and not in the centers, supporting the previously reported entron effect of threading.
A helical amplification system composed of artificial nucleic acids
Authors: Kashida Hiromu , Nishikawa Keiji , Shi Wenjing , Miyagawa Toshiki , Yamashita Hayato , Abe Masayuki , Asanuma Hiroyuki
Published: January 2021

Herein we report an amplification system of helical excess triggered by nucleic acid hybridization for the first time.
Photochemical control of bacterial gene expression based on trans encoded genetic switches
Authors: Paul Avishek , Huang Jingyi , Han Yanxiao , Yang Xintong , Vuković Lela , Král Petr , Zheng Lifei , Herrmann Andreas
Published: January 2021

Controlling gene expression by light with fine spatiotemporal resolution not only allows understanding and manipulating fundamental biological processes but also fuels the development of novel therapeutic strategies.
A rationally designed two-dimensional MoSe2/Ti2CO2 heterojunction for photocatalytic overall water splitting: simultaneously suppressing electron–hole recombination and photocorrosion
Authors: Fu Cen-Feng , Li Xingxing , Yang Jinlong
Published: January 2021

The two challenges of electron–hole recombination and photocorrosion for two-dimensional transition metal dichalcogenides in the application of photocatalytic water splitting are simultaneously suppressed by rational design of heterojunctions.
How natural materials remove heavy metals from water: mechanistic insights from molecular dynamics simulations
Authors: Pietrucci Fabio , Boero Mauro , Andreoni Wanda
Published: January 2021

We investigate via atomistic simulations the capture of lead ions from water by hemicellulose – as representative of the polysaccharides that are common components of vegetables and fruit peels – and the reverse process.
Metallohelices emulate the properties of short cationic α-helical peptides
Authors: Song Hualong , Postings Miles , Scott Peter , Rogers Nicola J.
Published: January 2021

Advances in metal–organic self-assembly have unearthed an area of chemical space containing peptide-emulating molecules. Comparison with natural systems indicates future directions in terms of synthesis, disease areas and mechanistic understanding.
Guest-tuned proton conductivity of a porphyrinylphosphonate-based hydrogen-bonded organic framework
Authors: Wang Yijie , Yin Jianbo , Liu Di , Gao Chengqi , Kang Zixi , Wang Rongming , Sun Daofeng , Jiang Jianzhuang
Published: January 2021

A porous porphyrin-based hydrogen-bonded organic framework (HOF) was constructed, and its proton conductivity was improved through a two-step guest-tuned strategy. After regulation, the proton conductivity of the HOF reaches 1.59 × 10−1 S cm−1 at 80 °C and 99% RH.