bluuebunny/crossref_metadata_2025 huggingface dataset:
SMARCA4 deficient tumours are vulnerable to KDM6A/UTX and KDM6B/JMJD3 blockade
Authors: Romero Octavio A. , Vilarrubi Andrea , Alburquerque-Bejar Juan J. , Gomez Antonio , Andrades Alvaro , Trastulli Deborah , Pros Eva , Setien Fernando , Verdura Sara , Farré Lourdes , Martín-Tejera Juan F. , Llabata Paula , Oaknin Ana , Saigi Maria , Piulats Josep M. , Matias-Guiu Xavier , Medina Pedro P. , Vidal August , Villanueva Alberto , Sanchez-Cespedes Montse
Published: July 2021

Despite the genetic inactivation of SMARCA4, a core component of the SWI/SNF-complex commonly found in cancer, there are no therapies that effectively target SMARCA4-deficient tumours. Here, we show that, unlike the cells with activated MYC oncogene, cells with SMARCA4 inactivation are refractory to the histone deacetylase inhibitor, SAHA, leading to the aberrant accumulation of H3K27me3. SMARCA4-mutant cells also show an impaired transactivation and significantly reduced levels of the histone demethylases KDM6A/UTX and KDM6B/JMJD3, and a strong dependency on these histone demethylases, so that its inhibition compromises cell viability. Administering the KDM6 inhibitor GSK-J4 to mice orthotopically implanted with SMARCA4-mutant lung cancer cells or primary small cell carcinoma of the ovary, hypercalcaemic type (SCCOHT), had strong anti-tumour effects. In this work we highlight the vulnerability of KDM6 inhibitors as a characteristic that could be exploited for treating SMARCA4-mutant cancer patients.
Two end-member earthquake preparations illuminated by foreshock activity on a meter-scale laboratory fault
Authors: Yamashita Futoshi , Fukuyama Eiichi , Xu Shiqing , Kawakata Hironori , Mizoguchi Kazuo , Takizawa Shigeru
Published: July 2021

The preparation process of natural earthquakes is still difficult to quantify and remains a subject of debate even with modern observational techniques. Here, we show that foreshock activity can shed light on understanding the earthquake preparation process based on results of meter-scale rock friction experiments. Experiments were conducted under two different fault surface conditions before each run: less heterogeneous fault without pre-existing gouge and more heterogeneous fault with pre-existing gouge. The results show that fewer foreshocks occurred along the less heterogeneous fault and were driven by preslip; in contrast, more foreshocks with a lower b value occurred along the more heterogeneous fault and showed features of cascade-up. We suggest that the fault surface condition and the stress redistribution caused by the ongoing fault slip mode control the earthquake preparation process, including the behavior of foreshock activity. Our findings imply that foreshock activity can be a key indicator for probing the fault conditions at present and in the future, and therefore useful for assessing earthquake hazard.
Immune responses against SARS-CoV-2 variants after heterologous and homologous ChAdOx1 nCoV-19/BNT162b2 vaccination
Authors: Barros-Martins Joana , Hammerschmidt Swantje I. , Cossmann Anne , Odak Ivan , Stankov Metodi V. , Morillas Ramos Gema , Dopfer-Jablonka Alexandra , Heidemann Annika , Ritter Christiane , Friedrichsen Michaela , Schultze-Florey Christian , Ravens Inga , Willenzon Stefanie , Bubke Anja , Ristenpart Jasmin , Janssen Anika , Ssebyatika George , Bernhardt Günter , Münch Jan , Hoffmann Markus , Pöhlmann Stefan , Krey Thomas , Bošnjak Berislav , Förster Reinhold , Behrens Georg M. N.
Published: July 2021

Currently approved viral vector-based and mRNA-based vaccine approaches against coronavirus disease 2019 (COVID-19) consider only homologous prime-boost vaccination. After reports of thromboembolic events, several European governments recommended using AstraZeneca’s ChAdOx1-nCov-19 (ChAd) only in individuals older than 60 years, leaving millions of already ChAd-primed individuals with the decision to receive either a second shot of ChAd or a heterologous boost with mRNA-based vaccines. However, such combinations have not been tested so far. We used Hannover Medical School’s COVID-19 Contact Study cohort of healthcare professionals to monitor ChAd-primed immune responses before and 3 weeks after booster with ChAd (n = 32) or BioNTech/Pfizer’s BNT162b2 (n = 55). Although both vaccines boosted prime-induced immunity, BNT162b2 induced significantly higher frequencies of spike-specific CD4+ and CD8+ T cells and, in particular, high titers of neutralizing antibodies against the B.1.1.7, B.1.351 and P.1 variants of concern of severe acute respiratory syndrome coronavirus 2.
Disorder predispositions and protections of Labrador Retrievers in the UK
Authors: Pegram Camilla , Woolley Charlotte , Brodbelt Dave C. , Church David B. , O’Neill Dan G.
Published: July 2021

The Labrador Retriever is one of the most popular dog breeds worldwide, therefore it is important to have reliable evidence on the general health issues of the breed. Using anonymised veterinary clinical data from the VetCompass Programme, this study aimed to explore the relative risk to common disorders in the Labrador Retriever. The clinical records of a random sample of dogs were reviewed to extract the most definitive diagnoses for all disorders recorded during 2016. A list of disorders was generated, including the 30 most common disorders in Labrador Retrievers and the 30 most common disorders in non-Labrador Retrievers. Multivariable logistic regression was used to report the odds of each of these disorders in 1462 (6.6%) Labrador Retrievers compared with 20,786 (93.4%) non-Labrador Retrievers. At a specific-level of diagnostic precision, after accounting for confounding, Labrador Retrievers had significantly increased odds of 12/35 (34.3%) disorders compared to non-Labrador Retrievers; osteoarthritis (OR 2.83) had the highest odds. Conversely, Labrador Retrievers had reduced odds of 7/35 (20.0%) disorders; patellar luxation (OR 0.18) had the lowest odds. This study provides useful information about breed-specific disorder predispositions and protections, which future research could evaluate further to produce definitive guidance for Labrador Retriever breeders and owners.
Important innate differences in determining symbiotic responsiveness in host and non-hosts of arbuscular mycorrhiza
Authors: Vasan Shalini , Srivastava Divya , Cahill David , Singh Pushplata Prasad , Adholeya Alok
Published: July 2021

Genetic components that regulate arbuscular mycorrhizal (AM) interactions in hosts and non-hosts are not completely known. Comparative transcriptomic analysis was combined with phylogenetic studies to identify the factors that distinguish AM host from non-host. Mycorrhized host, non-mycorrhized host and non-host cultivars of tomato (Solanum lycopersicum) were subjected to RNA seq analysis. The top 10 differentially expressed genes were subjected to extensive in silico phylogenetic analysis along with 10 more candidate genes that have been previously reported for AM-plant interactions. Seven distantly related hosts and four non-hosts were selected to identify structural differences in selected gene/protein candidates. The screened genes/proteins were subjected to MEME, CODEML and DIVERGE analysis to identify evolutionary patterns that differentiate hosts from non-hosts. Based on the results, candidate genes were categorized as highly influenced (SYMRK and CCaMK), moderately influenced and minimally influenced by evolutionary constraints. We propose that the amino acid and nucleotide changes specific to non-hosts are likely to correspond to aberrations in functionality towards AM symbiosis. This study paves way for future research aimed at understanding innate differences in genetic make-up of AM hosts and non-hosts, in addition to the theory of gene losses from the “AM-symbiotic toolkit”.
Isoflurane impairs oogenesis through germ cell apoptosis in C. elegans
Authors: Zhang Tao , Ni Cheng , Li Cheng , Lu Pan , Chen Dan , Dong Yuanlin , Whetstine Johnathan R. , Zhang Yiying , Xie Zhongcong
Published: July 2021

Anesthetic isoflurane has been reported to induce toxicity. However, the effects of isoflurane on fecundity remain largely unknown. We established a system in C. elegans to investigate the effects of isoflurane on oogenesis. Synchronized L4 stage C. elegans were treated with 7% isoflurane for 4 h. Dead cells, ROS, embryos, and unfertilized eggs laid by hermaphrodites were measured by fluorescence imaging and counting. The C. elegans with losses of ced-3, cep-1, abl-1, male C. elegans, and oxidative stress inhibitor N-acetyl-cysteine were used in the interaction studies. We found that isoflurane decreased the numbers of embryos and unfertilized eggs and increased the levels of dead cells and ROS in C. elegans. The isoflurane-induced impairment of oogenesis was associated with abl-1, ced-3, but not cep-1. N-acetyl-cysteine attenuated the isoflurane-induced impairment of oogenesis in C. elegans. Mating with male C. elegans did not attenuate the isoflurane-induced changes in oogenesis. These findings suggest that isoflurane may impair oogenesis through abl-1- and ced-3-associated, but not cep-1-associated, germ cell apoptosis and oxidative stress, pending further investigation. These studies will promote more research to determine the potential effects of anesthesia on fecundity.
Errors in visuospatial working memory across space and time
Authors: Jiang Linjing , Leung Hoi-Chung
Published: July 2021

Visuospatial working memory (VSWM) involves cortical regions along the dorsal visual pathway, which are topographically organized with respect to the visual space. However, it remains unclear how such functional organization may constrain VSWM behavior across space and time. Here, we systematically mapped VSWM performance across the 2-dimensional (2D) space in various retention intervals in human subjects using the memory-guided and visually guided saccade tasks in two experiments. Relative to visually guided saccades, memory-guided saccades showed significant increases in unsystematic errors, or response variability, with increasing target eccentricity (3°–13° of visual angle). Unsystematic errors also increased with increasing delay (1.5–3 s, Experiment 1; 0.5–5 s, Experiment 2), while there was little or no interaction between delay and eccentricity. Continuous bump attractor modeling suggested neurophysiological and functional organization factors in the increasing unsystematic errors in VSWM across space and time. These findings indicate that: (1) VSWM representation may be limited by the functional topology of the visual pathway for the 2D space; (2) Unsystematic errors may reflect accumulated noise from memory maintenance while systematic errors may originate from non-mnemonic processes such as noisy sensorimotor transformation; (3) There may be independent mechanisms supporting the spatial and temporal processing of VSWM.
GIP_HUMAN[22–51] is a new proatherogenic peptide identified by native plasma peptidomics
Authors: Masaki Tsuguto , Kodera Yoshio , Terasaki Michishige , Fujimoto Kazumi , Hirano Tsutomu , Shichiri Masayoshi
Published: July 2021

We recently established a new plasma peptidomic technique and comprehensively identified a large number of low-molecular weight and low-abundance native peptides using a single drop of human plasma. To discover a novel polypeptide that potently modulates the cardiovascular system, we performed a bioinformatics analysis of the large-scale identification results, sequentially synthesized the selected peptide sequences, tested their biological activities, and identified a 30-amino-acid proatherogenic peptide, GIP_HUMAN[22–51], as a potent proatherosclerotic peptide hormone. GIP_HUMAN[22–51] has a common precursor with the glucose-dependent insulinotropic polypeptide (GIP) and is located immediately N-terminal to GIP. Chronic infusion of GIP_HUMAN[22–51] into ApoE−/− mice accelerated the development of aortic atherosclerotic lesions, which were inhibited by co-infusions with an anti-GIP_HUMAN[22–51] antibody. GIP_HUMAN[22–51] increased the serum concentrations of many inflammatory and proatherogenic proteins,
whereas neutralising antibodies reduced their levels. GIP_HUMAN[22–51] induced IκB-α degradation and nuclear translocation of NF-κB in human vascular endothelial cells and macrophages. Immunoreactive GIP_HUMAN[22–51] was detected in human tissues but there was no colocalization with the GIP. The plasma GIP_HUMAN[22–51] concentration in healthy humans determined using a stable-isotope tagged peptide was approximately 0.6 nM. This study discovered a novel endogenous proatherogenic peptide by using a human plasma native peptidomic resource.
A novel 2 bp deletion variant in Ovine-DRB1 gene is associated with increased Visna/maedi susceptibility in Turkish sheep
Authors: Yaman Yalçın , Bay Veysel , Aymaz Ramazan , Keleş Murat , Öner Yasemin , Teferedegn Eden Yitna , Ün Cemal
Published: July 2021

Visna/maedi (VM) is a multisystemic lentivirus infection of sheep that affecting sheep industry across the globe.TMEM154gene has been identified to be a major VM-associated host gene, nevertheless, a recent study showed that the frequency of the VM-resistantTMEM154haplotypes was very low or absent in indigenous sheep. Thus, the present study was designed to determine other possible co-receptors associated with VM. For this purpose,DRB1gene, which is renowned for its role in host immune response against various diseases was targeted. A total number of 151 case–control matched pairs were constructed from 2266 serologically tested sheep. A broad range ofDRB1haplotype diversity was detected by sequence-based genotyping. Moreover, a novel 2 bp deletion (del) in theDRB1intron 1 was identified. For the final statistic, the sheep carrying VM-resistantTMEM154diplotypes were removed and a McNemar’s test with a matched pairs experimental design was conducted. Consequently, it was identified for the first time that the 2 bpdelvariant is a genetic risk factor for VM (pvalue 0.002; chi-square 8.31; odds ratio 2.9; statistical power 0.90) in the dominant model. Thus, negative selection for 2 bpdelvariant could decrease VM infection risk in Turkish sheep.
Effect of vestibular exercise and optokinetic stimulation using virtual reality in persistent postural-perceptual dizziness
Authors: Choi Seo-Young , Choi Jae-Hwan , Oh Eun Hye , Oh Se-Joon , Choi Kwang-Dong
Published: July 2021

To determine the effect of customized vestibular exercise (VE) and optokinetic stimulation (OS) using a virtual reality system in patients with persistent postural-perceptual dizziness (PPPD). Patients diagnosed with PPPD were randomly assigned to the VE group or VE with OS group. All participants received VE for 20 min using a virtual reality system with a head mount display once a week for 4 weeks. The patients in the VE with OS group additionally received OS for 9 min. We analysed the questionnaires, timed up-to-go (TUG) test, and posturography scores at baseline and after 4 weeks. A total of 28 patients (median age = 74.5, IQR 66–78, men = 12) completed the intervention. From baseline to 4 weeks, the dizziness handicap inventory, activities of daily living (ADL), visual vertigo analogue scale, and TUG improved in the VE group, but only ADL and TUG improved in the VE with OS group. Patients with severe visual vertigo improved more on their symptoms than patients with lesser visual vertigo (Pearson’s p = 0.716, p < 0.001). Our VE program can improve dizziness, quality of life, and gait function in PPPD; however, additional optokinetic stimuli should be applied for individuals with visual vertigo symptoms.
Deep transfer learning and data augmentation improve glucose levels prediction in type 2 diabetes patients
Authors: Deng Yixiang , Lu Lu , Aponte Laura , Angelidi Angeliki M. , Novak Vera , Karniadakis George Em , Mantzoros Christos S.
Published: July 2021

Accurate prediction of blood glucose variations in type 2 diabetes (T2D) will facilitate better glycemic control and decrease the occurrence of hypoglycemic episodes as well as the morbidity and mortality associated with T2D, hence increasing the quality of life of patients. Owing to the complexity of the blood glucose dynamics, it is difficult to design accurate predictive models in every circumstance, i.e., hypo/normo/hyperglycemic events. We developed deep-learning methods to predict patient-specific blood glucose during various time horizons in the immediate future using patient-specific every 30-min long glucose measurements by the continuous glucose monitoring (CGM) to predict future glucose levels in 5 min to 1 h. In general, the major challenges to address are (1) the dataset of each patient is often too small to train a patient-specific deep-learning model, and (2) the dataset is usually highly imbalanced given that hypo- and hyperglycemic episodes are usually much less common than normoglycemia. We tackle these two challenges using transfer learning and data augmentation, respectively. We systematically examined three neural network architectures, different loss functions, four transfer-learning strategies, and four data augmentation techniques, including mixup and generative models. Taken together, utilizing these methodologies we achieved over 95% prediction accuracy and 90% sensitivity for a time period within the clinically useful 1 h prediction horizon that would allow a patient to react and correct either hypoglycemia and/or hyperglycemia. We have also demonstrated that the same network architecture and transfer-learning methods perform well for the type 1 diabetes OhioT1DM public dataset.
Dorsal and ventral striatal functional connectivity shifts play a potential role in internet gaming disorder
Authors: Dong Guang-Heng , Dong Haohao , Wang Min , Zhang Jialin , Zhou Weiran , Du Xiaoxia , Potenza Marc N.
Published: July 2021

Animal models suggest transitions from non-addictive to addictive behavioral engagement are associated with ventral-to-dorsal striatal shifts. However, few studies have examined such features in humans, especially in internet gaming disorder (IGD), a proposed behavioral addiction. We recruited 418 subjects (174 with IGD; 244 with recreational game use (RGU)). Resting-state fMRI data were collected and functional connectivity analyses were performed based on ventral and dorsal striatal seeds. Correlations and follow-up spectrum dynamic causal model (spDCM) analyses were performed to examine relationships between the ventral/dorsal striatum and middle frontal gyrus (MFG). Longitudinal data were also analysed to investigate changes over time. IGD relative to RGU subjects showed lower ventral-striatum-to-MFG (mostly involving supplementary motor area (SMA)) and higher dorsal-striatum-to-MFG functional connectivity. spDCM revealed that left dorsal-striatum-to-MFG connectivity was correlated with IGD severity. Longitudinal data within IGD and RGU groups found greater dorsal striatal connectivity with the MFG in IGD versus RGU subjects. These findings suggest similar ventral-to-dorsal striatal shifts may operate in IGD and traditional addictions.
Blocking lithium dendrite growth in solid-state batteries with an ultrathin amorphous Li-La-Zr-O solid electrolyte
Authors: Sastre Jordi , Futscher Moritz H. , Pompizi Lea , Aribia Abdessalem , Priebe Agnieszka , Overbeck Jan , Stiefel Michael , Tiwari Ayodhya N. , Romanyuk Yaroslav E.
Published: July 2021

Lithium dendrites have become a roadblock in the realization of solid-state batteries with lithium metal as high-capacity anode. The presence of surface and bulk defects in crystalline electrolytes such as the garnet Li7La3Zr2O12 (LLZO) facilitates the growth of these hazardous lithium filaments. Here we explore the amorphous phase of LLZO as a lithium dendrite shield owing to its grain-boundary-free microstructure, stability against lithium metal, and high electronic insulation. By tuning the lithium stoichiometry, the ionic conductivity can be increased by 4 orders of magnitude while retaining a negligible electronic conductivity. In symmetric cells, plating-stripping shows no signs of lithium penetration up to 3.2 mA cm−2. The dense conformal nature of the films enables microbatteries with an electrolyte thickness of only 70 nm, which can be cycled at 10C for over 500 cycles. The application of this material as a coating on crystalline LLZO lowers the interface resistance and increases the critical current density. The effectiveness of the amorphous Li-La-Zr-O as dendrite blocking layer can accelerate the development of better solid-state batteries.
Varying influence of phytoplankton biodiversity and stoichiometric plasticity on bulk particulate stoichiometry across ocean basins
Authors: Lomas Michael W. , Baer Steven E. , Mouginot Celine , Terpis Kristina X. , Lomas Debra A. , Altabet Mark A. , Martiny Adam C.
Published: July 2021

Concentrations and elemental ratios of suspended particulate organic matter influence many biogeochemical processes in the ocean, including patterns of phytoplankton nutrient limitation and links between carbon, nitrogen and phosphorus cycles. Here we present direct measurements of cellular nutrient content and stoichiometric ratios for discrete phytoplankton populations spanning broad environmental conditions across several ocean basins. Median cellular carbon-to-phosphorus and nitrogen-to-phosphorus ratios were positively correlated with vertical nitrate-to-phosphate flux for all phytoplankton groups and were consistently higher for cyanobacteria than eukaryotes. Light and temperature were inconsistent predictors of stoichiometric ratios. Across nutrient-rich and phosphorus-stressed biomes in the North Atlantic, but not in the nitrogen-stressed tropical North Pacific, we find that a combination of taxonomic composition and environmental acclimation best predict bulk particulate organic matter composition. Our findings demonstrate the central role of plankton biodiversity and plasticity in controlling linkages between ocean nutrient and carbon cycles in some regions.
Mechanisms and heterogeneity of in situ mineral processing by the marine nitrogen fixer Trichodesmium revealed by single-colony metaproteomics
Authors: Held Noelle A , Sutherland Kevin M , Webb Eric A , McIlvin Matthew R , Cohen Natalie R , Devaux Alexander J , Hutchins David A , Waterbury John B , Hansel Colleen M , Saito Mak A
Published: July 2021

The keystone marine nitrogen fixer Trichodesmium thrives in high-dust environments. While laboratory investigations have observed that Trichodesmium colonies can access the essential nutrient iron from dust particles, less clear are the biochemical strategies underlying particle–colony interactions in nature. Here we demonstrate that Trichodesmium colonies engage with mineral particles in the wild with distinct molecular responses. We encountered particle-laden Trichodesmium colonies at a sampling location in the Southern Caribbean Sea; microscopy and synchrotron-based imaging then demonstrated heterogeneous associations with iron oxide and iron-silicate minerals. Metaproteomic analysis of individual colonies by a new low-biomass approach revealed responses in biogeochemically relevant proteins including photosynthesis proteins and metalloproteins containing iron, nickel, copper, and zinc. The iron-storage protein ferritin was particularly enriched implying accumulation of mineral-derived iron, and multiple iron acquisition pathways including Fe(II), Fe(III), and Fe-siderophore transporters were engaged. While the particles provided key trace metals such as iron and nickel, there was also evidence that Trichodesmium was altering its strategy to confront increased superoxide production and metal exposure. Chemotaxis regulators also responded to mineral presence suggesting involvement in particle entrainment. These molecular responses are fundamental to Trichodesmium’s ecological success and global biogeochemical impact, and may contribute to the leaching of particulate trace metals with implications for global iron and carbon cycling.
Electrochemical reduction of CO2 to CO and HCOO− using metal–cyclam complex catalysts: predicting selectivity and limiting potential from DFT
Authors: Masood Zaheer , Ge Qingfeng
Published: July 2021

Selective electrocatalytic reduction of CO2 can be achieved on the catalysts of Earth-abundant metal cyclam complexes, with Mo, W, and Co being HCOO− selective whereas Ni being CO selective.
Thermal decarboxylation for the generation of hierarchical porosity in isostructural metal–organic frameworks containing open metal sites
Authors: Drake Hannah F. , Xiao Zhifeng , Day Gregory S. , Vali Shaik Waseem , Chen Wenmiao , Wang Qi , Huang Yutao , Yan Tian-Hao , Kuszynski Jason E. , Lindahl Paul A. , Ryder Matthew R. , Zhou Hong-Cai
Published: July 2021

The effect of metal-cluster redox identity on the thermal decarboxylation of a series of isostructural metal–organic frameworks (MOFs) with tetracarboxylate-based ligands and trinuclear μ3-oxo clusters was investigated.
What is special about silicon in functionalised organic semiconductors?
Authors: Thorley Karl J. , Benford Micai , Song Yang , Parkin Sean R. , Risko Chad , Anthony John E.
Published: July 2021

Atomic substitution in sidechains of an organic semiconductor show these solubilizing groups are not simple spectators. Silicon is the most electron withdrawing group 14 element, increasing photostability and offering desirable crystal packing.
Mapping the nanoscale effects of charge traps on electrical transport in grain structures of indium tin oxide thin films
Authors: Jeon Hyesong , Kim Jeongsu , Shekhar Shashank , Park Jeehye , Hong Seunghun
Published: July 2021

Mapping of noise source density dependence on oxygen plasma treatment in the grains of an ITO thin film.
Luminescent silicon nanocrystals appended with photoswitchable azobenzene units
Authors: Villa Marco , Angeloni Sara , Bianco Alberto , Gradone Alessandro , Morandi Vittorio , Ceroni Paola
Published: July 2021

The reversible and fatigue-resistant photoswitching of azobenzene chromophores is preserved at the surface of silicon nanocrystals; a photosensitized Z → E photoisomerization of azobenzene is observed upon selective excitation of the silicon core.
Nano-chevron quantum dot for spin-qubit applications
Authors: Tiessen John , Shi Junxia
Published: July 2021

We take advantage of the proximity exchange interaction between a ferromagnet and a transition metal dichalcogenide to introduce asymmetry and an effective slanting Zeeman field to achieve all-electric control of electron spin for qubit applications.
Unravelling the complex formation mechanism of HfO2 nanocrystals using in situ pair distribution function analysis
Authors: Christensen Rasmus S. , Kløve Magnus , Roelsgaard Martin , Sommer Sanna , Iversen Bo B.
Published: July 2021

In situ pair distribution function analysis is used to follow the nucleation and growth of hafnia nanocrystals, which is highly non-classical. This reiterates the importance of investigating the chemical nature of nucleation and growth processes.
When graphene meets white graphene – recent advances in the construction of graphene and h-BN heterostructures
Authors: Han Ziyi , Li Menghan , Li Lin , Jiao Fei , Wei Zhongming , Geng Dechao , Hu Wenping
Published: July 2021

The recent advances in the construction of graphene and h-BN heterostructures have been comprehensively presented.
Photo-induced oxidative cleavage of C–C double bonds for the synthesis of biaryl methanone via CeCl3 catalysis
Authors: Xie Pan , Xue Cheng , Du Dongdong , Shi SanShan
Published: July 2021

A mild and practical photosynthesis strategy is developed for the synthesis of aryl ketones via ROH/CeCl3 synergistically catalyzed air oxidation of C–C double bonds.
An examination of the relationship between molecular dipole moment and blood-gas partition for common anaesthetic gases
Authors: Martins Francisco A. , Freitas Matheus P.
Published: July 2021

The overall molecular dipole moments calculated for some common fluorinated anaesthetics correlate with the respective blood-gas partition. This finding may aid the design of novel last-generation anaesthetics.
Resolving the ultrafast dynamics of the anionic green fluorescent protein chromophore in water
Authors: Jones Chey M. , List Nanna H. , Martínez Todd J.
Published: July 2021

Simulations on the aqueous green fluorescent protein (GFP) chromophore (in the equilibrium and non-equilibrium regimes) reveal that observed biexponential fluorescence originates from two competing torsional deactivation pathways.
Temperature artifacts in protein structures bias ligand-binding predictions
Authors: Bradford Shanshan Y. C. , El Khoury Léa , Ge Yunhui , Osato Meghan , Mobley David L. , Fischer Marcus
Published: July 2021

Temperature artifacts in protein structures impact the utility of structural information in computation by misleading validation and application of computational methods in discovering bioactive molecules.
Photoprocesses of the tyrosine kinase inhibitor gefitinib: from femtoseconds to microseconds and from solution to cells
Authors: Tamarit Lorena , El Ouardi Meryem , Andreu Inmaculada , Vayá Ignacio , Miranda Miguel A.
Published: July 2021

Excitation of gefitinib leads to the formation of locally excited (LE) and/or charge transfer (ICT) states in the ps scale. In solution, both can evolve to the excited triplet state. In proteins, quenching of LE by electron donors leads to oxidation.
Axisymmetric membranes with edges under external force: buckling, minimal surfaces, and tethers
Authors: Jia Leroy L. , Pei Steven , Pelcovits Robert A. , Powers Thomas R.
Published: July 2021

We use theory and numerical computation to determine the shape of an axisymmetric fluid membrane with a resistance to bending and constant area.
TOI-1296b and TOI-1298b observed with TESS and SOPHIE: two hot Saturn-mass exoplanets with different densities around metal-rich stars
Authors: Moutou C. , Almenara J. M. , Hébrard G. , Santos N. C. , Stassun K. G. , Deheuvels S. , Barros S. , Benni P. , Bieryla A. , Boisse I. , Bonfils X. , Boyd P. T. , Collins K. A. , Baker D. , Cortés-Zuleta P. , Dalal S. , Debras F. , Deleuil M. , Delfosse X. , Demangeon O. , Essack Z. , Forveille T. , Girardin E. , Guerra P. , Heidari N. , Hesse K. , Hoyer S. , Jenkins J. M. , Kiefer F. , König P. C. , Laloum D. , Latham D. , Lopez T. , Martioli E. , Osborn H. P. , Ricker G. , Seager S. , Vanderspek R. , Vezie M. , Villaseñor J. , Winn J. , Wohler B. , Ziegler C.
Published: July 2021

We present the discovery of two new transiting extrasolar planet candidates identified as TOI-1296.01 and TOI-1298.01 by the Transiting Exoplanet Survey Satellite (TESS). The planetary nature of these candidates has been secured with the SOPHIE high-precision spectrograph through the measurement of the companion’s mass with the radial velocity method. Both planets are similar to Saturn in mass and have similar orbital periods of a few days. They, however, show discrepant radii and therefore different densities. The radius discrepancy might be explained by the different levels of irradiation by the host stars. The subgiant star TOI-1296 hosts a low-density planet with 1.2 RJup while the less luminous, lower-size star TOI-1298 hosts a much denser planet with a 0.84 RJup radius, resulting in bulk densities of 0.198 and 0.743 g cm−3, respectively.In addition, both stars are strongly enriched in heavy elements, having metallicities of +0.44 and +0.49 dex, respectively. The planet masses and orbital periods are 0.298 ± 0.039 MJup and 3.9443715 ± 5.8 ± 10−6 days for TOI-1296b, and 0.356 ± 0.032 MJup and 4.537164 ± 1.2 ± 10−5 days for TOI-1298b. The mass measurements have a relative precision of better than 13%.
Characterisation of fluid flow conditions and paths in the Buntsandstein Gp. sandstones reservoirs, Upper Rhine Graben
Authors: Bossennec Claire , Géraud Yves , Böcker Johannes , Klug Bernd , Mattioni Luca , Bertrand Lionel , Moretti Isabelle
Published: July 2021

Deeply buried sandstone reservoirs are targeted in the Upper Rhine Graben (URG) for geothermal and hydrocarbon resources. These reservoirs are affected by a convective heat flow along fault zones and have a complex diagenetic and deformation history recorded in their paragenetic sequence. Here, the focus is made on siderite and barite cementation characterisation, which trace paleo geothermal circulations within the fracture network affecting the Buntsandstein Gp. sandstones. A double approach on geochemistry and fracture network features is used to characterise fluid-flow episodes in the rift basin and on its shoulders. Barite sulphur isotopic signature suggests a common source for all the locations. However, Rare Earth Elements distribution patterns, oxygen isotopic ratios, and fluid inclusion study suggest two distinct flow regimes for fluids associated with barite precipitation along the shoulders and at depth in the middle of the graben. The barite has a higher content in total REE and contains non-saline fluid inclusions on the graben shoulders, suggesting that fluid circulations within the border faults interact with sulphate rich layers and precipitate at temperature above 150 °C. In deep-seated samples from the central part of the basin, barite fluid inclusions show a wide range of salinities, suggesting a higher contribution of sedimentary brines and precipitation at lower temperatures (< 150 °C). According to their REE signature, these barite mineralisations are associated with siderite and apatite with a diagenetic source. A conceptual model for fluid circulation within the basin is built from this new dataset. Fast and deep down- and up-flows occur along the major border faults, locally leaching evaporitic horizons. A part of the infiltrated meteoric waters reaches the centre of the basin, where it then mixes with the brines in sedimentary. This new characterisation of fluid pathways in the targeted reservoir brings insights into geothermal circulation compartmentalisation at the basin scale.
Methods of Freeze Protection for Fruit Trees by Means of Renewable Energy Sources
Authors: Kasymbekov R. A. , Temirbaeva N. Y. , Nazarov S. O. , Osmonov Y. Zh. , Murat Nurzhan
Published: July 2021

As the Earth climate changes, the current horticulture gives rise to an acute issue - protecting fruit trees from spring frosts and their root system from freezing in severe winters with little snow. The authors substantiated the methods of how to protect fruit trees from frost and their root system from freezing, as well as a method of how to control their phenological phases based on the study of the heatmass- exchange intensification in a certain soil area occupied by the root system of a tree with various engineering aids to be designed. The aforesaid method is based on the operation of a heat and cold separator, which makes it possible to intensify heat transfer and expand the area of specific heat loads removed using a coolant - potassium salt brine (aqueous 30% KCL solution). The test results have shown that the coolant heated by the heat of the soil to a temperature of 12°С, gradually moving up at a depth of 0.9 m, heats the soil to 7°С at a depth of 0.5 m and up to 1°С on the surface of the earth at an ambient temperature of up to - 10°С. The heat of the lower soil layers comes up to the surface; in the soil area occupied by the root system, the temperature is redistributed, stabilized in a state that excludes freezing of the root system of the fruit tree. A rational value of the effective head has been determined to be equal to 2200 Н/m2 at the depth of the heated soil surface up to 1 m, with a specific heat flow of about 4•105 W/m2. In addition, a rational flow rate of the coolant is set equal to (1.5 ... 2.5) Gmin to produce more optimal heat transfer and additional body force of the heat and cold separator. The method of controlling the phenological phases of fruit trees by heating or cooling a certain soil area occupied by the root system is possible using an installation that generates power from the renewable resources (solar energy, wind or biogas plant), depending on climatic conditions and terrain.
Improving the functioning efficiency of 6-10 kV electrical networks with isolated neutral in conditions of single-phase ground faults
Authors: Kachanov Alexander Nikolaevich , Chernyshov Vadim Alekseevich , Meshkov Boris Nikolaevich , Garifullin Marsel Sharifyanovich , Pechagin Evgeny Alexandrovich
Published: July 2021

The main objectives of this publication are: 1) to attract the attention of energy specialists to the problems of reliability and electrical safety of 6-10 kV overhead electrical networks with isolated neutral, operating in conditions of single-phase insulation damage; 2) substantiation of the feasibility of introducing a fundamentally new way to improve the efficiency of 6-10 kV distribution networks, based on the resonanceless limitation of the single-phase ground fault current arising from the breakdown of the insulator and the use of its own infrastructure of the electrical network for remote identification of the place of its occurrence. The expediency of including a nonlinear surge suppressor between the traverse and the grounding outlet of the reinforced concrete support is confirmed by the positive results of experimental studies carried out on the basis of high-voltage testing laboratories of IDGC of Center PJSC - Orelenergo and EnerGarant LLC. The use of deductive analysis allowed the authors to select a reliable and affordable electrical insulating material installed between the support and the traverse, as well as to formulate the main requirements for it, including taking into account weather and climatic factors. The analysis of various methods of transmitting information about the place of occurrence of the insulator damage made it possible to establish the predominant advantage of a wired communication channel using its own 6-10 kV electric network infrastructure. The authors have developed an original circuitry solution that provides remote identification of the insulator damage location using a thyristor shunting the nonlinear surge suppressor, according to a given switching algorithm, and also provides local identification of the insulator breakdown by means of special signaling devices with volatile power supply. It is expected that the proposed method, with relatively low investment, will significantly reduce the level of accidents and electrical hazards in overhead distribution networks of 6-10 kV, as well as minimize the costs associated with their operation and undersupply of electrical energy.
Experimental and theoretical study of the effect of bombardment with Ar+ ions on the spectrum of valence electrons of a Si (111) single crystal
Authors: Ergashov Yokub , Umirzakov Boltaxodja , Nurmatov Nebodir , Otamurodov Golib
Published: July 2021

The paper studies the effect of disordering of the surface layers on the electronic and optical properties of single-crystal silicon.An analysis of the photoelectron spectra shows that with complete amorphization of the surface density, the condition of Si valence electrons of changes significantly. In particular, the positions of the main maximum of the electrons of the valence band of Si (111) shift by ~ 0.4 eV towards higher binding energies and the band gap Eg increases by 0.1-0.15 eV. The energy of a valence electron in amorphized silicon, which at low impurity concentrations, i.e. at low bombardment doses (D <1015 cm–2), the potential Mkk and, therefore, the shift of the maximum of the density of states vary linearly with respect to concentration. At high impurity concentrations (at doses D> 1015 cm–2), corresponding to the transition to amorphous silicon, the concentration dependence of Mkk is very weak. Therefore, upon amorphization, the peak A of the density of states of the silicon valence band under consideration is shifted to the region of lower electron binding energies. The theoretical substantiation of the obtained experimental results is given.
Application of synchronized phasor measurements in RPA devices of distribution networks
Authors: Piskunov Sergey A. , Mokeev Alexey V. , Khromtsov Evgeniy I.
Published: July 2021

The paper discusses the efficiency of RPA devices application with support of synchronized phasor measurements (SPM) at the step-down substations and in 6-20 kV distribution networks. The main part of the paper presents a description of the algorithm developed by the authors for determining the damaged cable line during single-phase ground faults (SGF) in 6-20 kV distribution networks with compensated and isolated neutral. The proposed algorithm makes it possible to realize reliable, fast-acting, and selective SGF protection in distribution cable networks acting either on a signal or on a trip. Based on the SGF protection using SPM, an SGF localization system can be created. This makes it easier to find a damaged cable line in the distribution network. The report presents the conditions for the application of this algorithm, which ensure the stability and reliability of its operation under various parameters of the network. The paper authors propose options for improving the SGF protection algorithm, which allows expanding the field of its application. The results of virtual modeling confirm the effectiveness of SGF protection based on the SPM using the developed algorithm. The final part of the paper contains examples demonstrating other areas of SPM application for RPA devices of step-down transformers, substations, cable distribution networks.
Prospects for the IoT in the Electricity Industry
Authors: Khusainova Ekaterina , Urazbahtina Liliya , Serkina Nina , Filina Olga , Shackih Zoya
Published: July 2021

Currently, strategic changes are taking place in the energy sector of Russia, the main vector of which is the transition to digital control mechanisms, the introduction of IoT technologies and the creation of new models of the digital energy market. The number of “connected” devices is growing rapidly in the world. The introduction of IoT («IoT») into energy industry will fundamentally change the rules of the game in the industry. New technologies will significantly reduce losses in the transmission of electrical energy from the generator to the consumer, multiply the reliability of power supply, optimally redistribute energy flows, thereby reducing peak loads. This, finally, will enable the end consumer to take part in the process of transmission and sale of electricity, which will transfer it to the class of “prosumers” - active consumers.
Improving the efficiency of technological units for the production of high-quality motor fuels using fuzzy mathematics methods
Authors: Orazbayev Batyr , Zhumadillayeva Ainur , Kodanova Shynar , Iskakova Sandugash , Orazbayeva Kulman
Published: July 2021

This paper investigates the problems of increasing the efficiency of technological installations of oil refineries, which produce high-octane and environmentally friendly motor fuels. We used methods of mathematical modeling and fuzzy mathematics to maximize the volume of gasoline produced and improve its quality indicators, taking into account the imposed restrictions. On the basis of a systematic approach, an effective methodology is created for the development of a package of models of interconnected plant units using available information of a different nature, including fuzzy information. The resulting package of models makes it possible to systematically simulate the work of the unit under study and to increase the efficiency of the facility by increasing the volume of manufactured target products and improving its quality indicators. There are presented results of the analysis and expert assessment of the catalytic reforming unit LG-35-11/300-95 and the choice of the optimal type of model for individual units. A scheme is being created for combining the developed models into a single package of models. On the basis of the proposed methodology, hybrid models are being developed that make it possible to determine the volume of produced catalyzate and its quality indicators.
Electrical power equipment digital twins. Basic principles and technical requirements
Authors: Darian Leonid , Kontorovych Leonid
Published: July 2021

The increasing complexity of the problems of asset management and ensuring the operational reliability of electric power equipment, which have to be taken into account by specialists at all stages of the life cycle, leads to the need to develop and implement digital twins. Based on the analysis of these problems, this work describes principles and technical requirements for the development of digital twins of electrical power equipment. The basic principles of developing the architecture of digital twins in the form of images, examinations, and functions of their components are stated. The general technical requirements for digital twins of electric power equipment are proposed. The functions of digital twin users at all stages of the life cycle of electric power equipment are given.
Aspects of the concept of cyber-protected objects of a digital electrical network with elements of Zero Trust Architecture in Russia
Authors: Karantaev Vladimir , Karpenko Vladislav
Published: July 2021

Modern trends in the development of the electric power industry declare the widespread use of information and communication technologies and digital services to improve the operation of relay protection and automation (RPA) subsystems, Industrial Control Systems (ICS), commercial electricity metering systems, etc. However, it is associated with an increase in the number of cyber threats and risks of disrupting the stable functioning of electric power facilities due to destructive information influences. The report presents aspects of a holistic concept of building cyber-protected digital substations with elements of Zero Trust Architecture. Based on the results of the theoretical investigation the authors assume the possibility of technical testing of the proposed approaches to build a cyber-protected digital substation as a part of the emerging Research and Development (R&D) programs for the practical implementation of the zero-trust policy.
Development of a method for using AI systems for assessing cyber threats to electric power facilities
Authors: Karantaev Vladimir , Karpenko Vladislav
Published: July 2021

Modern trends in the development of the electric power industry declare the widespread use of information and communication technologies and digital services to improve the operation of relay protection and automation (RPA) subsystems, ICS, WAMS, etc. However, this is associated with an increase in the number of cyber threats and risks of disrupting the stable functioning of electric power facilities due to destructive information influences. The report presents the results of the synthesis of a hybrid method for modeling cyber threats with possible cyber-physical consequences and the development of a demonstration prototype of an expert system that implements the method.
Digitalization and robotization in the automation of energy facilities
Authors: Bogdanov Alexander , Gilfanov Kamil , Latypov Tagir
Published: July 2021

The paper presents the typical technologies of Industry 4.0. The results of a study of publications and materials on the use of digital twins, virtual reality and robotization in energy are presented. The digitalization of energy is considered on the example of the use of digital twins, virtual reality simulators and being developed robotic solutions. Presented the position of the authors on the conceptual combination of these technologies and, as a result, the renewal of classical dispatching in automated control systems of energy facilities in accordance with the ideology of the Industry 4.0.