bluuebunny/crossref_metadata_2025 huggingface dataset:
Grafting nanometer metal/oxide interface towards enhanced low-temperature acetylene semi-hydrogenation
Authors: Zou Shihui , Lou Baohui , Yang Kunran , Yuan Wentao , Zhu Chongzhi , Zhu Yihan , Du Yonghua , Lu Linfang , Liu Juanjuan , Huang Weixin , Yang Bo , Gong Zhongmiao , Cui Yi , Wang Yong , Ma Lu , Ma Jingyuan , Jiang Zheng , Xiao Liping , Fan Jie
Published: October 2021

Metal/oxide interface is of fundamental significance to heterogeneous catalysis because the seemingly “inert” oxide support can modulate the morphology, atomic and electronic structures of the metal catalyst through the interface. The interfacial effects are well studied over a bulk oxide support but remain elusive for nanometer-sized systems like clusters, arising from the challenges associated with chemical synthesis and structural elucidation of such hybrid clusters. We hereby demonstrate the essential catalytic roles of a nanometer metal/oxide interface constructed by a hybrid Pd/Bi2O3 cluster ensemble, which is fabricated by a facile stepwise photochemical method. The Pd/Bi2O3 cluster, of which the hybrid structure is elucidated by combined electron microscopy and microanalysis, features a small Pd-Pd coordination number and more importantly a Pd-Bi spatial correlation ascribed to the heterografting between Pd and Bi terminated Bi2O3 clusters. The intra-cluster electron transfer towards Pd across the as-formed nanometer metal/oxide interface significantly weakens the ethylene adsorption without compromising the hydrogen activation. As a result, a 91% selectivity of ethylene and 90% conversion of acetylene can be achieved in a front-end hydrogenation process with a temperature as low as 44 °C.
Synthetic accessibility and stability rules of NASICONs
Authors: Ouyang Bin , Wang Jingyang , He Tanjin , Bartel Christopher J. , Huo Haoyan , Wang Yan , Lacivita Valentina , Kim Haegyeom , Ceder Gerbrand
Published: October 2021

In this paper we develop the stability rules for NASICON-structured materials, as an example of compounds with complex bond topology and composition. By first-principles high-throughput computation of 3881 potential NASICON phases, we have developed guiding stability rules of NASICON and validated the ab initio predictive capability through the synthesis of six attempted materials, five of which were successful. A simple two-dimensional descriptor for predicting NASICON stability was extracted with sure independence screening and machine learned ranking, which classifies NASICON phases in terms of their synthetic accessibility. This machine-learned tolerance factor is based on the Na content, elemental radii and electronegativities, and the Madelung energy and can offer reasonable accuracy for separating stable and unstable NASICONs. This work will not only provide tools to understand the synthetic accessibility of NASICON-type materials, but also demonstrates an efficient paradigm for discovering new materials with complicated composition and atomic structure.
Achieving stable Na metal cycling via polydopamine/multilayer graphene coating of a polypropylene separator
Authors: Qin Jieqiong , Shi Haodong , Huang Kai , Lu Pengfei , Wen Pengchao , Xing Feifei , Yang Bing , Ye Mao , Yu Yan , Wu Zhong-Shuai
Published: October 2021

Sodium metal batteries are considered one of the most promising low-cost high-energy-density electrochemical energy storage systems. However, the growth of unfavourable Na metal deposition and the limited cell cycle life hamper the application of this battery system at a large scale. Here, we propose the use of polypropylene separator coated with a composite material comprising polydopamine and multilayer graphene to tackle these issues. The oxygen- and nitrogen- containing moieties as well as the nano- and meso- porous network of the coating allow cycling of Na metal electrodes in symmetric cell configuration for over 2000 h with a stable 4 mV overpotential at 1 mA cm−2. When tested in full Na || Na3V2(PO4)3 coin cell, the coated separator enables the delivery of a stable capacity of about 100 mAh g−1 for 500 cycles (90% capacity retention) at a specific current of 235 mA g−1 and satisfactory rate capability performances (i.e., 75 mAh g−1 at 3.5 A g−1).
Human commensal gut Proteobacteria withstand type VI secretion attacks through immunity protein-independent mechanisms
Authors: Flaugnatti Nicolas , Isaac Sandrine , Lemos Rocha Leonardo F. , Stutzmann Sandrine , Rendueles Olaya , Stoudmann Candice , Vesel Nina , Garcia-Garcera Marc , Buffet Amandine , Sana Thibault G. , Rocha Eduardo P. C. , Blokesch Melanie
Published: October 2021

While the major virulence factors for Vibrio cholerae, the cause of the devastating diarrheal disease cholera, have been extensively studied, the initial intestinal colonization of the bacterium is not well understood because non-human adult animals are refractory to its colonization. Recent studies suggest the involvement of an interbacterial killing device known as the type VI secretion system (T6SS). Here, we tested the T6SS-dependent interaction of V. cholerae with a selection of human gut commensal isolates. We show that the pathogen efficiently depleted representative genera of the Proteobacteria in vitro, while members of the Enterobacter cloacae complex and several Klebsiella species remained unaffected. We demonstrate that this resistance against T6SS assaults was mediated by the production of superior T6SS machinery or a barrier exerted by group I capsules. Collectively, our data provide new insights into immunity protein-independent T6SS resistance employed by the human microbiota and colonization resistance in general.
Enhancer-associated H3K4 methylation safeguards in vitro germline competence
Authors: Bleckwehl Tore , Crispatzu Giuliano , Schaaf Kaitlin , Respuela Patricia , Bartusel Michaela , Benson Laura , Clark Stephen J. , Dorighi Kristel M. , Barral Antonio , Laugsch Magdalena , van IJcken Wilfred F. J. , Manzanares Miguel , Wysocka Joanna , Reik Wolf , Rada-Iglesias Álvaro
Published: October 2021

Germline specification in mammals occurs through an inductive process whereby competent cells in the post-implantation epiblast differentiate into primordial germ cells (PGC). The intrinsic factors that endow epiblast cells with the competence to respond to germline inductive signals remain unknown. Single-cell RNA sequencing across multiple stages of an in vitro PGC-like cells (PGCLC) differentiation system shows that PGCLC genes initially expressed in the naïve pluripotent stage become homogeneously dismantled in germline competent epiblast like-cells (EpiLC). In contrast, the decommissioning of enhancers associated with these germline genes is incomplete. Namely, a subset of these enhancers partly retain H3K4me1, accumulate less heterochromatic marks and remain accessible and responsive to transcriptional activators. Subsequently, as in vitro germline competence is lost, these enhancers get further decommissioned and lose their responsiveness to transcriptional activators. Importantly, using H3K4me1-deficient cells, we show that the loss of this histone modification reduces the germline competence of EpiLC and decreases PGCLC differentiation efficiency. Our work suggests that, although H3K4me1 might not be essential for enhancer function, it can facilitate the (re)activation of enhancers and the establishment of gene expression programs during specific developmental transitions.
In-situ anodic precipitation process for highly efficient separation of aluminum alloys
Authors: Zhong Yu-Ke , Liu Ya-Lan , Liu Kui , Wang Lin , Mei Lei , Gibson John K. , Chen Jia-Zhuang , Jiang Shi-Lin , Liu Yi-Chuan , Yuan Li-Yong , Chai Zhi-Fang , Shi Wei-Qun
Published: October 2021

Electrorefining process has been widely used to separate and purify metals, but it is limited by deposition potential of the metal itself. Here we report in-situ anodic precipitation (IAP), a modified electrorefining process, to purify aluminium from contaminants that are more reactive. During IAP, the target metals that are more cathodic than aluminium are oxidized at the anode and forced to precipitate out in a low oxidation state. This strategy is fundamentally based on different solubilities of target metal chlorides in the NaAlCl4 molten salt rather than deposition potential of metals. The results suggest that IAP is able to efficiently and simply separate components of aluminum alloys with fast kinetics and high recovery yields, and it is also a valuable synthetic approach for metal chlorides in low oxidation states.
Increased interstitial fluid in periventricular and deep white matter hyperintensities in patients with suspected idiopathic normal pressure hydrocephalus
Authors: Rau Alexander , Reisert Marco , Kellner Elias , Hosp Jonas A. , Urbach Horst , Demerath Theo
Published: October 2021

Periventricular white matter changes are common in patients with idiopathic normal pressure hydrocephalus (iNPH) and considered to represent focally elevated interstitial fluid. We compared diffusion measures in periventricular hyperintensities in patients with imaging features of iNPH to patients without. The hypothesis is that periventricular hyperintensities in patients with presumed iNPH show higher water content than in patients without imaging features of iNPH. 21 patients with iNPH Radscale 7–12 (“high probability of iNPH”) and 10 patients with iNPH Radscale 2–4 (“low probability of iNPH”) were examined with a neurodegeneration imaging protocol including a diffusion microstructure imaging sequence. Periventricular hyperintensities and deep white matter hyperintensities were segmented and diffusion measures were compared. In patients with imaging features of iNPH, the free water content in periventricular hyperintensities was significantly higher compared to the control group (p = 0.005). This effect was also detectable in deep white matter hyperintensities (p = 0.024). Total brain volumes and total gray or white matter volumes did not differ between the groups. Periventricular cap free water fraction was highly discriminative regarding patients with presumed iNPH and controls with an ROC AUC of 0.933. Quantitative diffusion microstructure imaging shows elevated water content in periventricular hyperintensities in patients with imaging features of iNPH, which could be the imaging correlate for pathologic fluid accumulation and may be used as an imaging biomarker in the future.
Ecological opportunity and adaptive radiations reveal eco-evolutionary perspectives on community structure in competitive communities
Authors: Pontarp Mikael
Published: October 2021

It is well known that ecological and evolutionary processes act in concert while shaping biological communities. Diversification can, for example, arise through ecological opportunity and adaptive radiations and competition play an essential role in such diversification. Eco-evolutionary components of competition are thus important for our understanding of community assembly. Such understanding in turn facilitates interpretation of trait- and phylogenetic community patterns in the light of the processes that shape them. Here, I investigate the link between competition, diversification, and trait- and phylogenetic- community patterns using a trait-based model of adaptive radiations. I evaluate the paradigm that competition is an ecological process that drives large trait- and phylogenetic community distances through limiting similarity. Contrary to the common view, I identify low or in some cases counterintuitive relationships between competition and mean phylogenetic distances due to diversification late in evolutionary time and peripheral parts of niche space when competition is weak. Community patterns as a function of competition also change as diversification progresses as the relationship between competition and trait similarity among species can flip from positive to negative with time. The results thus provide novel perspectives on community assembly and emphasize the importance of acknowledging eco-evolutionary processes when interpreting community data.
Viral detection and identification in 20 min by rapid single-particle fluorescence in-situ hybridization of viral RNA
Authors: Hepp Christof , Shiaelis Nicolas , Robb Nicole C. , Vaughan Alison , Matthews Philippa C. , Stoesser Nicole , Crook Derrick , Kapanidis Achillefs N.
Published: October 2021

The increasing risk from viral outbreaks such as the ongoing COVID-19 pandemic exacerbates the need for rapid, affordable and sensitive methods for virus detection, identification and quantification; however, existing methods for detecting virus particles in biological samples usually depend on multistep protocols that take considerable time to yield a result. Here, we introduce a rapid fluorescence in situ hybridization (FISH) protocol capable of detecting influenza virus, avian infectious bronchitis virus and SARS-CoV-2 specifically and quantitatively in approximately 20 min, in virus cultures, combined nasal and throat swabs with added virus and likely patient samples without previous purification. This fast and facile workflow can be adapted both as a lab technique and a future diagnostic tool in enveloped viruses with an accessible genome.
Vitamin D in pediatric patients with obesity and arterial hypertension
Authors: Radulović Živa , Zupan Zarja Polak , Tomazini Aljoša , Varda Nataša Marčun
Published: October 2021

The purpose of this study was to find potential differences in vitamin D levels between different groups: overweight children with hypertension, normal-weight children with hypertension, overweight children with normal blood pressure and normal-weight children without hypertension, representing the control group. We also wanted to determine whether there are correlations between vitamin D levels and other clinical laboratory parameters, to evaluate the potential need for substitution. We measured vitamin D, homocysteine, total cholesterol, HDL, LDL, triglycerides, uric acid, glucose, apolipoprotein A1, apolipoprotein B, alkaline phosphatase, calcium, phosphate and magnesium serum levels in all groups. We also took anthropometric measurements (body weight, height, body mass index (BMI)) and observed patients’ blood pressure. The results were analyzed with SPSS statistic tool with basic statistical methods. The study included 175 children between 5 and 18 years of age. Fiftyseven were healthy (group A—control group), 41 normal-weight with hypertension (group B), 44 overweight with hypertension (group C) and 33 overweight with normal blood pressure (group D). The results showed statistically significant differences in values of vitamin D between all groups—A and B (p = 0.003), A and C (p < 0.001), A and D (p < 0.001), B and D (p = 0.043), B and C (0.030), except for groups C and D (p = 0.830). There were statistically significant correlations between vitamin D and BMI (r = − 0.196, p = 0.010), systolic pressure (r = − 0.190, p = 0.002), diastolic pressure (r = − 0.149, p = 0.050), homocysteine (r = − 0.208, p = 0.007), triglycerides (r = − 0.196, p = 0.011) and apolipoprotein A1 (r = 0.222, p = 0.007), confirmed in multivariate model. For the blood pressure, the higher the systolic blood pressure, the lower the average vitamin D was. The pilot study shows significant differences in serum vitamin D levels between all groups of children, apart from groups C and D. These results, combined with statistically significant correlations between vitamin D and systolic and diastolic blood pressure suggest the need for monitoring and potential substitution of vitamin D in in pediatric patients with hypertension.
Kinetic arrest of the ferromagnetic state in Mn$$_3$$GaC and Ni$$_2$$MnGa composite mixtures
Authors: Priolkar K. R. , Nevgi R. , Dias E. T. , Nigam A. K.
Published: October 2021

The kinetics of the ferromagnetic to antiferromagnetic transition in Mn$$_3$$

3

GaC can be arrested and its magnetic properties can be tuned by mixing a small amount ($$\sim $$
∼
10%) of Heusler Ni$$_2$$

2

MnGa to Mn$$_3$$

3

GaC. A detailed study of magnetic properties of composite mixtures of Mn$$_3$$

3

GaC and Ni$$_2$$

2

MnGa with different antiperovskite to Heusler ratio, reveals that the ferromagnetic Ni$$_2$$

2

MnGa polarizes magnetic spins of the antiperovskite phase by creating a magnetic strain field in its vicinity. The Heusler phase acts as a defect centre whose influence on the magnetic properties of the majority antiperovskite phase progressively diminishes, creating a distribution of transition temperatures. Such strong interaction between the two phases of the mixture allows for tunability and control over the properties of such magneto-structurally transforming materials.
Novel reusable hydrogel adsorbents for precious metal recycle
Authors: Dharmapriya Thakshila N. , Lee Ding-Yang , Huang Po-Jung
Published: October 2021

A novel polyethylene glycol diacrylate-allylthiourea (ATU-PEGDA) hydrogel was simply synthesized through photo-reaction. Modified thiourea simultaneously employed chelation and electrostatic force to selectively recycle Ag(I) and Pd(II) from electrolytic wastewater. Sorption efficiency was nearly 100% for Ag(I) and Pd(II), which occurred at initial pH of 1 within 300 min. The adsorption characteristics of ATU-PEGDA followed Langmuir isotherm model and the maximum adsorption capacity of Ag(I) and Pd(II) achieved 83.33 and 152.81 mg g−1 sorbent, respectively where Pseudo-first order model demonstrate the adsorption kinetics. In the presence of other heavy metals, ATU-PEGDA performed high selectivity, 0.89 and 1.31 towards Ag(I) and Pd(II). ATU-PEGDA can be completely regenerated within 120 min using 0.5 M thiourea—0.001 M HNO3 and 1 M thiourea—4 M HCl after the adsorption of Ag(I) and Pd(II), respectively. Thiourea-branched structure was created after regeneration, improving the adsorption capacity. Compared to initial hydrogel, the adsorption capacity of Ag(I) and Pd(II) increased 31.83 ± 3.08% and 75.12 ± 11.02%, respectively. Over 10 consecutive adsorption–desorption cycles, ATU-PEGDA performed 111.34 and 263.79 mg g−1 sorbent in adsorption capacity of Ag(I) and Pd(II). Chromism of ATU-PEGDA hydrogel was a benefit to determine adsorption saturation and completely desorption of Ag(I) and Pd(II). Potentially, ATU-PEGDA can be extended to industrial applications.
Soft surfaces promote astrocytic differentiation of mouse embryonic neural stem cells via dephosphorylation of MRLC in the absence of serum
Authors: Oyama Hiroshi , Nukuda Akihiro , Ishihara Seiichiro , Haga Hisashi
Published: October 2021

Astrocytes, which can be obtained from neural stem cells (NSCs) by adding serum and/or recombinant proteins in culture media or by passaging NSCs repeatedly, are expected to be applicable in regenerative medicine for the treatment of neurodegenerative diseases. However, astrocytes obtained using existing methods are costly and have poor quality. The stiffness of culture surfaces has been reported to affect astrocytic differentiation of adult NSCs. However, the influence of surface stiffness on astrocytic differentiation of embryonic NSCs has not yet been reported. In this study, we showed that astrocytic differentiation of embryonic NSCs was increased on soft surfaces (1 kPa and 12 kPa) compared with the NSCs on stiff surfaces (2.8 GPa) in serum-free condition. Furthermore, di-phosphorylated myosin regulatory light chain (PP-MRLC) was decreased in embryonic NSCs cultured on the soft surfaces than the cells on the stiff surfaces. Additionally, astrocytic differentiation of embryonic NSCs was induced by a Ras homolog associated kinase (ROCK) inhibitor, which decreased PP-MRLC in NSCs. These results suggest that decreasing the PP-MRLC of embryonic NSCs on soft surfaces or treating NSCs with a ROCK inhibitor is a good method to prepare astrocytes for application in regenerative medicine.
The tiny effects of respiratory masks on physiological, subjective, and behavioral measures under mental load in a randomized controlled trial
Authors: Spang Robert P. , Pieper Kerstin
Published: October 2021

Since the outbreak of the coronavirus disease (COVID-19), face coverings are recommended to diminish person-to-person transmission of the SARS-CoV-2 virus. Some public debates concern claims regarding risks caused by wearing face masks, like, e.g., decreased blood oxygen levels and impaired cognitive capabilities. The present, pre-registered study aims to contribute clarity by delivering a direct comparison of wearing an N95 respirator and wearing no face covering. We focused on a demanding situation to show that cognitive efficacy and individual states are equivalent in both conditions. We conducted a randomized-controlled crossover trial with 44 participants. Participants performed the task while wearing an N95 FFR versus wearing none. We measured physiological (blood oxygen saturation and heart rate variability), behavioral (parameters of performance in the task), and subjective (perceived mental load) data to substantiate our assumption as broadly as possible. We analyzed data regarding both statistical equivalence and differences. All of the investigated dimensions showed statistical equivalence given our pre-registered equivalence boundaries. None of the dimensions showed a significant difference between wearing an FFR and not wearing an FFR.

Trial Registration: Preregistered with the Open Science Framework: https://osf.io/c2xp5 (15/11/2020). Retrospectively registered with German Clinical Trials Register: DRKS00024806 (18/03/2021).
Intelligent computing technique based supervised learning for squeezing flow model
Authors: Almalki Maryam Mabrook , Alaidarous Eman Salem , Maturi Dalal Adnan , Raja Muhammad Asif Zahoor , Shoaib Muhammad
Published: October 2021

In this study, the unsteady squeezing flow between circular parallel plates (USF-CPP) is investigated through the intelligent computing paradigm of Levenberg–Marquard backpropagation neural networks (LMBNN). Similarity transformation introduces the fluidic system of the governing partial differential equations into nonlinear ordinary differential equations. A dataset is generated based on squeezing fluid flow system USF-CPP for the LMBNN through the Runge–Kutta method by the suitable variations of Reynolds number and volume flow rate. To attain approximation solutions for USF-CPP to different scenarios and cases of LMBNN, the operations of training, testing, and validation are prepared and then the outcomes are compared with the reference data set to ensure the suggested model’s accuracy. The output of LMBNN is discussed by the mean square error, dynamics of state transition, analysis of error histograms, and regression illustrations.
Co-contraction of ankle muscle activity during quiet standing in individuals with incomplete spinal cord injury is associated with postural instability
Authors: Fok Kai Lon , Lee Jae W. , Unger Janelle , Chan Katherine , Musselman Kristin E. , Masani Kei
Published: October 2021

Previous findings indicate that co-contractions of plantarflexors and dorsiflexors during quiet standing increase the ankle mechanical joint stiffness, resulting in increased postural sway. Balance impairments in individuals with incomplete spinal cord injury (iSCI) may be due to co-contractions like in other individuals with reduced balance ability. Here we investigated the effect of co-contraction between plantar- and dorsiflexors on postural balance in individuals with iSCI (iSCI-group) and able-bodied individuals (AB-group). Thirteen able-bodied individuals and 13 individuals with iSCI were asked to perform quiet standing with their eyes open (EO) and eyes closed (EC). Kinetics and electromyograms from the tibialis anterior (TA), soleus and medial gastrocnemius were collected bilaterally. The iSCI-group exhibited more co-contractions than the AB-group (EO: 0.208% vs. 75.163%, p = 0.004; EC: 1.767% vs. 92.373%, p = 0.016). Furthermore, postural sway was larger during co-contractions than during no co-contraction in the iSCI-group (EO: 1.405 cm/s2 vs. 0.867 cm/s2, p = 0.023; EC: 1.831 cm/s2 vs. 1.179 cm/s2, p = 0.030), but no differences were found for the AB-group (EO: 0.393 cm/s2 vs. 0.499 cm/s2, p = 1.00; EC: 0.686 cm/s2 vs. 0.654 cm/s2, p = 1.00). To investigate the mechanism, we performed a computational simulation study using an inverted pendulum model and linear controllers. An increase of mechanical stiffness in the simulated iSCI-group resulted in increased postural sway (EO: 2.520 cm/s2 vs. 1.174 cm/s2, p < 0.001; EC: 4.226 cm/s2 vs. 1.836 cm/s2, p < 0.001), but not for the simulated AB-group (EO: 0.658 cm/s2 vs. 0.658 cm/s2, p = 1.00; EC: 0.943 cm/s2 vs. 0.926 cm/s2, p = 0.190). Thus, we demonstrated that co-contractions may be a compensatory strategy for individuals with iSCI to accommodate for decreased motor function, but co-contractions may result in increased ankle mechanical joint stiffness and consequently postural sway.
Recurrence-associated gene signature in patients with stage I non-small-cell lung cancer
Authors: Cho Su Han , Yoon Shinkyo , Lee Dae Ho , Kim Sang-We , Kim Kwoneel
Published: October 2021

Recurrent gene mutations and fusions in cancer patients are likely to be associated with cancer progression or recurrence by Vogelstein et al. (Science (80-)340, 1546–1558 (2013)). In this study, we investigated gene mutations and fusions that recurrently occurred in early-stage cancer patients with stage I non-small-cell cancer (NSCLC). Targeted exome sequencing was performed to profile the variants and confirmed their fidelity at the gene and pathway levels through comparison with data for stage I lung cancer patients, which was obtained from The Cancer Genome Atlas (TCGA). Next, we identified prognostic gene mutations (ATR, ERBB3, KDR, and MUC6), fusions (GOPC-ROS1 and NTRK1-SH2D2A), and VEGF signaling pathway associated with cancer recurrence. To infer the functional implication of the recurrent variants in early-stage cancers, the extent of their selection pattern was investigated, and they were shown to be under positive selection, implying a selective advantage for cancer progression. Specifically, high selection scores were observed in the variants with significantly high risks for recurrence. Taken together, the results of this study enabled us to identify recurrent gene mutations and fusions in a stage I NSCLC cohort and to demonstrate positive selection, which had implications regarding cancer recurrence.
Simulating graphene dynamics in synthetic space with photonic rings
Authors: Yu Danying , Li Guangzhen , Xiao Meng , Wang Da-Wei , Wan Yong , Yuan Luqi , Chen Xianfeng
Published: October 2021

Photonic honeycomb lattices have attracted broad interests for their fruitful ways in manipulating light, which yet hold difficulties in achieving arbitrary reconfigurability and hence flexible functionality due to fixed geometry configurations. Here we theoretically propose to construct the honeycomb lattice in a one-dimensional ring array under dynamic modulations, with an additional synthetic dimension created by connecting the frequency degree of freedom of light. Such a system is highly re-configurable with parameters flexibly controlled by external modulations. Therefore, various physical phenomena associated with graphene including Klein tunneling, valley-dependent edge states, effective magnetic field, as well as valley-dependent Lorentz force can be simulated in this lattice, which exhibits important potentials for manipulating photons in different ways. Our work unveils an alternative platform for constructing the honeycomb lattice in a synthetic space, which holds complex functionalities and could be important for optical signal processing as well as quantum simulation.
Red-emissive carbon nanodots for highly sensitive ferric(iii) ion sensing and intracellular imaging
Authors: Yan Ruhong , Guo Zhenzhen , Chen Xifeng , Tang Longhai , Wang Mingyuan , Miao Peng
Published: October 2021

Red-emissive carbon nanodots are prepared via a microwave method for highly sensitive analysis of Fe3+.
Correction: Detecting antimicrobial resistance in Escherichia coli using benchtop attenuated total reflectance-Fourier transform infrared spectroscopy and machine learning
Authors: Wijesinghe Hewa G. S. , Hare Dominic J. , Mohamed Ahmed , Shah Alok K. , Harris Patrick N. A. , Hill Michelle M.
Published: October 2021

Correction for ‘Detecting antimicrobial resistance in Escherichia coli using benchtop attenuated total reflectance-Fourier transform infrared spectroscopy and machine learning’ by Hewa G. S. Wijesinghe et al., Analyst, 2021, DOI: 10.1039/d1an00546d.
In silico strategy to boost stability, axiality, and barrier heights in dysprocenium SIMs via SWCNT encapsulation
Authors: Nabi Rizwan , Tiwari Rupesh Kumar , Rajaraman Gopalan
Published: October 2021

Encapsulation of dysprocenium SIMs inside CNT was found to enhance the barrier height, offer stability, and seize the vibrations that diminish the blocking temperature, offering a one-shot strategy to produce successful devices based on SIMs.
Conditional dependence of enzyme cascade reaction efficiency on the inter-enzyme distance
Authors: Lin Peng , Dinh Huyen , Nakata Eiji , Morii Takashi
Published: October 2021

The inter-enzyme distance is not the dominant factor for the cascade efficiency with a highly efficient downstream enzyme.
Ligand-controlled, Pd/CuH-catalyzed reductive cross-coupling of terminal alkenes and N-heteroaryl bromides
Authors: Seo Sanghyup , Kim Donghyeon , Kim Hyunwoo
Published: October 2021

A ligand optimization strategy enables the Pd/CuH-catalyzed reductive cross-coupling of terminal alkenes with N-heterocyclic bromides.
Solvent-regulated biomorphs from the intense π,π-mediated assemblies of tetracenequinone fused porphyrin
Authors: Chen Chen , Li Dan , Cao Guanyue , Qin Zhonghe , Xu Yi , Liu Xiujun , Li Qizhao , Xie Yongshu , Li Chengjie
Published: October 2021

Tetracenequninone fused porphyrin exhibits remarkable π,π-stacking, which can be regulated by solvents to afford various biomorphs or cubic-shaped architectures.
Cobalt(ii) coordination polymers constructed from bis(N-pyrid-3-ylmethyl)adipoamide and polycarboxylic acids: reversible structural transformation upon proton delivery and removal
Authors: Hu Ji-Hong , Liu Yuan-Chin , Chen Jhy-Der
Published: October 2021

The reversible structural transformation upon proton delivery and removal in Co(ii) coordination polymers can be ascribed to the various bonding modes and the flexibility of the spacer ligands.
Fe–N–C electrocatalysts in the oxygen and nitrogen cycles in alkaline media: the role of iron carbide
Authors: Burshtein Tomer Y. , Aias Denial , Wang Jin , Sananis Matan , Farber Eliyahu M. , Gazit Oz M. , Grinberg Ilya , Eisenberg David
Published: October 2021

Iron carbide, a ubiquitous component of Fe–N–C material, is found to be electrocatalytically inactive towards hydrazine oxidation and oxygen reduction in alkaline media, through a combined experimental and computational study.
Enhancement of the ionic conductivity of lithium borohydride by silica supports
Authors: Yang Guoyu , Xie Chen , Li Yongtao , Li Hai-Wen , Liu Dongming , Chen Jianguo , Zhang Qingan
Published: October 2021

Silica supports enhanced the bulk and interfacial conductivity of LiBH4by an increase in the degree of disorder and interfaces.
Synthesis, characterization, and theoretical analysis of a plutonyl phosphine oxide complex
Authors: Windorff Cory J. , Beltran-Leiva Maria J. , Albrecht-Schönzart Thomas E. , Bai Zhuanling , Celis-Barros Cristian , Goodwin Conrad A. P. , Huffman Zachary , McKinnon Noah C. , Sperling Joseph M.
Published: October 2021

The interplay of bond strength and covalency are examined in AnO2Cl2(OPcy3)2 (An = Pu, U) complexes.
Improved charge storage performance of a layered Mo1.33C MXene/MoS2/graphene nanocomposite
Authors: EL Ghazaly Ahmed , Méndez-Romero Ulises A. , Halim Joseph , Nestor Tseng Eric , O. Å. Person Per , Ahmed Bilal , Wang Ergang , Rosen Johanna
Published: October 2021

Felxiable Mo1.33C i-MXene/MoS2/graphene (MOMG) nanocomposite electrode delivers volumetric capacitance up to 1600 F cm−3 in sulphric acid electolyte.
Enhanced electrocatalytic H2S splitting on a multiwalled carbon nanotubes-graphene oxide nanocomposite
Authors: Narwade Shankar S. , Mali Shivsharan M. , Tapre Akash K. , Sathe Bhaskar R.
Published: October 2021

A non-precious graphene oxide (GO) based oxidized multiwalled carbon nanotubes (MWCNTs) metal-free electrocatalytic system was fabricated using a chemical method and further used for the electrocatalytic oxidation of hydrogen sulphide (H2S) to hydrogen.
CuO-decorated magnetite-reduced graphene oxide: a robust and promising heterogeneous catalyst for the oxidative amidation of methylarenes in water via benzylic sp3 C–H activation
Authors: Rousta Marzieh , Khalili Dariush , Khalafi-Nezhad Ali , Ebrahimi Edris
Published: October 2021

CuO-decorated magnetite-reduced graphene oxide: a heterogeneous catalyst for the oxidative amidation of methylarenes in water at room temperature.
Palladium-mediated C–O bond activation of benzopyrone in 4-oxo-4H-chromone-3-carbaldehyde-4(N)-substituted thiosemicarbazone: synthesis, structure, nucleic acid/albumin interaction, DNA cleavage, antioxidant and cytotoxic studies
Authors: Shanmugapriya A. , Kalaiarasi G. , Ravi M. , Sparkes H. A. , Kalaivani P. , Prabhakaran R.
Published: October 2021

Palladium ion-mediated C–O activation at the C2 carbon of the benzopyrone moiety of 3-formylchromone-4(N)-substituted thiosemicarbazone (HL1–4) has been observed in square-planar palladium(ii) complexes.
Ultrafast demagnetization in a ferrimagnet under electromagnetic field funneling
Authors: Mishra Kshiti , Ciuciulkaite Agne , Zapata-Herrera Mario , Vavassori Paolo , Kapaklis Vassilios , Rasing Theo , Dmitriev Alexandre , Kimel Alexey , Kirilyuk Andrei
Published: October 2021

Bottom-up produced optical ring-shaped Ag nanoantennas efficiently funnel electromagnetic field of a femtosecond-pulsed laser light into a ferrimagnetic TbCo nanofilm at plasmon resonance. This leads to the TbCo demagnetization at the nanoscale.
Protein import in mitochondria biogenesis: guided by targeting signals and sustained by dedicated chaperones
Authors: Dimogkioka Anna-Roza , Lees Jamie , Lacko Erik , Tokatlidis Kostas
Published: October 2021

Mitochondria have a central role in cellular metabolism; they are responsible for the biosynthesis of amino acids, lipids, iron–sulphur clusters and regulate apoptosis.
Exploring the impact of calcination parameters on the crystal structure, morphology, and optical properties of electrospun Fe2TiO5 nanofibers
Authors: Vasiljević Zorka Ž. , Dojčinović Milena P. , Vujančević Jelena D. , Spreitzer Matjaž , Kovač Janez , Bartolić Dragana , Marković Smilja , Janković-Čaštvan Ivona , Tadić Nenad B. , Nikolić Maria Vesna
Published: October 2021

Nanostructured Fe2TiO5 (pseudobrookite), a mixed metal oxide material holds significant promise for utilization in energy and environmental applications.
Tethered tracer in a mixture of hot and cold Brownian particles: can activity pacify fluctuations?
Authors: Wang Michael , Zinga Ketsia , Zidovska Alexandra , Grosberg Alexander Y.
Published: October 2021

We study how an interacting mixture of components with differing levels of activity can affect the fluctuations of an embedded object such as a tracer.
Two-dimensional MOF-based liquid marbles: surface energy calculations and efficient oil–water separation using a ZIF-9-III@PVDF membrane
Authors: Saini Haneesh , Kallem Parashuram , Otyepková Eva , Geyer Florian , Schneemann Andreas , Ranc Vaclav , Banat Fawzi , Zbořil Radek , Otyepka Michal , Fischer Roland A. , Jayaramulu Kolleboyina
Published: October 2021

Facile, economically viable route towards 2D superhydrophobic–oleophilic ZIF-9-III readily forming liquid marbles in contact with water droplets is presented. ZIF-9-III@PVDF membranes can be used for efficient oil–water separation.
Coherent radio emission from a population of RS Canum Venaticorum systems
Authors: Toet S. E. B. , Vedantham H. K. , Callingham J. R. , Veken K. C. , Shimwell T. W. , Zarka P. , Röttgering H. J. A. , Drabent A.
Published: October 2021

Coherent radio emission from stars can be used to constrain fundamental coronal plasma parameters, such as plasma density and magnetic field strength. It is also a probe of chromospheric and magnetospheric acceleration mechanisms. Close stellar binaries, such as RS Canum Venaticorum (RS CVn) systems, are particularly interesting as their heightened level of chromospheric activity and possible direct magnetic interaction make them a unique laboratory to study coronal and magnetospheric acceleration mechanisms. RS CVn binaries are known to be radio-bright but coherent radio emission has only conclusively been detected previously in one system. Here, we present a population of 14 coherent radio emitting RS CVn systems. We identified the population in the ongoing LOFAR Two Metre Sky Survey as circularly polarised sources at 144 MHz that are astrometrically associated with known RS CVn binaries. We show that the observed emission is powered by the electron cyclotron maser instability. We use numerical calculations of the maser’s beaming geometry to argue that the commonly invoked ‘loss-cone’ maser cannot generate the necessary brightness temperature in some of our detections and that a more efficient instability, such as the shell or horseshoe maser, must be invoked. Such maser configurations are known to operate in planetary magnetospheres. We also outline two acceleration mechanisms that could produce coherent radio emission, one where the acceleration occurs in the chromosphere and one where the acceleration is due to an electrodynamic interaction between the stars. We propose radio and optical monitoring observations that can differentiate between these two mechanisms.
Isotope effect on the sublimation curves and binding energies of 12CO and 13CO interstellar ice analogues
Authors: Smith Lucas R. , Gudipati Murthy S. , Smith Rachel L. , Lewis Robert D.
Published: October 2021

Aims. Understanding the desorption properties and sublimation temperatures of CO is key toward constraining the astrophysical regimes within which CO exists in the gas and ice phases. Previous experimental studies using temperature programmed desorption (TPD) determined the binding energies of 12CO and 13CO without the precision that is necessary to determine the effect of isotopes on these properties, which is required when analyzing astronomical data of CO isotopologues. The purpose of this work is to precisely determine the binding energies of 12CO and 13CO.

Methods. We conducted experiments using temperature interval desorption (TID), which ensures that thermal equilibrium is reached at each temperature, as well as TPD experiments on interstellar analogues of 12CO and 13CO ices.

Results. Sublimation curves show a small but distinct separation between 12CO and 13CO ices. We found that complete sublimation of pure 12CO occurs at 28.9 ± 0.2 K and pure 13CO at 29.0 ± 0.2 K. A systematic difference of 0.1 K was found for 13CO ice compared to 12CO ice under similar desorption conditions, implying that the binding energy in the ice phase for 13CO ice is higher than that of 12CO. Our experimentally derived binding energies were determined through TID to be (12CO–12CO)Eb = (833 ± 5 K) and (13CO–13CO)Eb = (848 ± 6 K). Our results quantitatively show that 13CO is more tightly bound than 12CO in the ice phase, which could have a significant effect on CO isotopic enrichment in astrophysical settings.
Estimating [α/Fe] from Gaia low-resolution BP/RP spectra using the ExtraTrees algorithm
Authors: Gavel Alvin , Andrae René , Fouesneau Morgan , Korn Andreas J. , Sordo Rosanna
Published: October 2021

Context. Gaia Data Release 3 will contain more than a billion sources with positions, parallaxes, and proper motions. In addition, for hundreds of millions of stars, it will include low-resolution blue photometer (BP) and red photometer (RP) spectra. Obtained by dispersing light with prisms, these spectra have resolutions that are too low to allow us to measure individual spectral lines and bands. However, the combined BP/RP spectra can be used to estimate some stellar properties such as Teff, log g, and [M/H].

Aims. We investigate the feasibility of using the ExtraTrees algorithm to estimate the alpha element to iron abundance ratio [α/Fe] from low-resolution BP/RP spectra.

Methods. To infer [α/Fe] from the spectra, we created regression models using the ExtraTrees algorithm trained on two samples: a set of synthetic spectra and a set of observed spectra from stars that have known [α/Fe] since they have also been observed using the High Efficiency and Resolution Multi-Element Spectrograph (HERMES) as part of the Galactic Archaeology with HERMES survey. We applied each model to the other sample and to a larger observed sample to assess the performance of the models. In addition, we used our models to analyse stars from the Gaia-Enceladus structure.

Results. We find that the model trained on synthetic data has some ability to reconstruct [α/Fe] from synthetic spectra, but little to none when used on observed spectra. The model trained on observed data reconstructs realistic [α/Fe] from observed spectra, but only for cool stars (⪅5000 K) that have the same correlations as in the training sample between [α/Fe] and other properties such as [Fe/H].

Conclusions. Models using the ExtraTrees algorithm can be used to estimate [α/Fe] from low-resolution BP/RP spectra of cool stars. However, they do this by exploiting correlations between [α/Fe] and other parameters, rather than the causal effect of [α/Fe] on the spectrum. Hence, they are unlikely to be useful in studies that attempt to distinguish stars that only differ in [α/Fe].
Tracing the ICME plasma with a MHD simulation
Authors: Biondo Ruggero , Pagano Paolo , Reale Fabio , Bemporad Alessandro
Published: October 2021

The determination of the chemical composition of interplanetary coronal mass ejection (ICME) plasma is an open issue. More specifically, it is not yet fully understood how remote sensing observations of the solar corona plasma during solar disturbances evolve into plasma properties measured in situ away from the Sun. The ambient conditions of the background interplanetary plasma are important for space weather because they influence the evolutions, arrival times, and geo-effectiveness of the disturbances. The Reverse In situ and MHD APproach (RIMAP) is a technique to reconstruct the heliosphere on the ecliptic plane (including the magnetic Parker spiral) directly from in situ measurements acquired at 1 AU. It combines analytical and numerical approaches, preserving the small-scale longitudinal variability of the wind flow lines. In this work, we use RIMAP to test the interaction of an ICME with the interplanetary medium. We model the propagation of a homogeneous non-magnetised (i.e. with no internal flux rope) cloud starting at 800 km s−1at 0.1 AU out to 1.1 AU. Our 3D magnetohydrodynamics (MHD) simulation made with the PLUTO MHD code shows the formation of a compression front ahead of the ICME, continuously driven by the cloud expansion. Using a passive tracer, we find that the initial ICME material does not fragment behind the front during its propagation, and we quantify the mixing of the propagating plasma cloud with the ambient solar wind plasma, which can be detected at 1 AU.
Anthocyanins and catechins in the berries of new strawberry cultivars grown in the conditions of the Orel region
Authors: Makarkina Margarita , Knyazev Sergey , Vetrova Oksana , Zubkova Marina
Published: October 2021

The results of the study of 20 new strawberry cultivars grown in the conditions of the Central part of Russia (Orel region), according to the content of anthocyanins, catechins and the total number of polyphenols in berries, are presented. Anthocyanins and catechins are representatives of the main group of phenolic compounds, flavonoids that have a therapeutic and preventive effect on the human body. The purpose of the research is to identify the best genotypes for breeding for an improved chemical composition of berries. The determination of phenolic compounds was carried out by the photometric method. The content of anthocyanins in strawberries varied depending on the cultivar to an average degree (V=16.3%) and amounted to 51.1±1.9 mg/100 g with a range of variation from 40.1 to 70.2 mg/100 g. A high content of anthocyanins (mg/100 g) was observed in Rusich (70.2), Solovushka (64.2), Darselect (62.5), Tsaritsa (59.5), Rubino civ (57.9), Sonata (55.4), Alpha (54.5), Honeoye (51.8). The average content of catechins in the berries of the studied group of cultivars also changed to an average degree (V=22.2%) from 71.4 to 174.6 mg/100 g with an average c value of 124.9±6.2 mg/100 g. The high content of catechins in berries was found in Rusich (136,2), Clery (132,0), Rubino civ (137,4), Sara (137,7), Vima Kimberly (139,5), Dezy (152,5), Sonata (164,9), Solovushka (168,2) and Alpha (174,6). There was no correlation between the accumulation of anthocyanins and catechins in strawberries (r=+0.149). According to the total number of polyphenols (more than 500 mg/100 g) in the berries, Alpha, Rusich, Solovushka, Dezy and Rubino civ are distinguished.
Agrometeorological characteristics of spring oat varieties created in the conditions of the Northern Trans-Urals
Authors: Fomina M.N.
Published: October 2021

An agrometeorollological assessment of five oat varieties (Megion, Talisman, Otrada, Foma, Tobolyak) of the breeding of the Northern Trans-Urals Research Institute of Agriculture - branch of the TyumSC SB RAS is given. The effect of the average daily air temperature and precipitation on the growth and development of plants has been established. The sensitivity of varieties to temperature is estimated. It was found that the optimal average daily air temperature during the sprout – ear emergence period was 16.4 … 16.8°C, during the ear emergence – waxy ripeness period - 17.5…19.4°C. The sums of effective temperatures over 10°C necessary for optimal growth and development of oat varieties are calculated. Varieties Megion, Talisman, Foma and Tobolyak in the period of sprout – ear emergence required a greater amount of effective temperatures (705.2…747.0°C) than in the period of ear emergence - wax ripeness (611.2…640.2°C). In the Otrada variety, the need for heat was slightly higher in the second interphase period (717.5°C) compared to the first (705.6°C). The optimal amount of precipitation required for the formation of a high yield (189.4…243.6 mm) is calculated. To realize the genetic potential of the Talisman and Otrada varieties, most of the precipitation is necessary during the sprout – ear emergence period, and the Megion, Foma and Tobolyak varieties - during the period of ear emergence - waxy ripeness.
Breeding of highly productive varieties of winter triticale resistant to pre-harvest germination of grain in the ear
Authors: Rubets Valentina , Voronchikhina Irina , Pylnev Vladimir , Voronchikhin Viktor
Published: October 2021

Creation of new varieties of winter hexaploid triticale for the central part of Russia is characterized by increased resistance of grain to germination on the root. The phenomenon of germination on the root is one of the limiting traits that limit the spread of triticale culture in areas of excessive moisture, which is the Central Region of the Non-Chernozem zone. The work was carried out at the Russian State Agrarian University – Moscow Agricultural Academy named after K.A. Timiryazev in 2018-2019. Field experiments were conducted in the fields of the Field Experimental and Breeding Stations. Laboratory tests were carried out at the Department of Genetics, Breeding and Seed Production. As a result of a comprehensive assessment of breeding varieties in the preliminary variety testing, the most valuable sample of winter triticale 228h (Castus x Don) was isolated, which formed a yield at the standard level, and during 3 years of study showed relatively high resistance to pre-harvest germination of grain in the ear. This sample is currently being intensively propagated for transfer to the State Variety Testing in 2020.