bluuebunny/crossref_metadata_2025 huggingface dataset:
A single transcript for the prognosis of disease severity in COVID-19 patients
Authors: Lei Hongxing
Published: June 2021

With many countries strapped for medical resources due to the COVID-19 pandemic, it is highly desirable to allocate the precious resources to those who need them the most. Several markers have been found to be associated with the disease severity in COVID-19 patients. However, the established markers only display modest prognostic power individually and better markers are urgently needed. The aim of this study is to investigate the potential of S100A12, a prominent marker gene for bacterial infection, in the prognosis of disease severity in COVID-19 patients. To ensure the robustness of the association, a total of 1695 samples from 14 independent transcriptome datasets on sepsis, influenza infection and COVID-19 infection were examined. First, it was demonstrated that S100A12 was a marker for sepsis and severity of sepsis. Then, S100A12 was found to be a marker for severe influenza infection, and there was an upward trend of S100A12 expression as the severity level of influenza infection increased. As for COVID-19 infection, it was found that S100A12 expression was elevated in patients with severe and critical COVID-19 infection. More importantly, S100A12 expression at hospital admission was robustly correlated with future quantitative indexes of disease severity and outcome in COVID-19 patients, superior to established prognostic markers including CRP, PCT, d-dimer, ferritin, LDH and fibrinogen. Thus, S100A12 is a valuable novel prognostic marker for COVID-19 severity and deserves more attention.
Nationwide surveillance of antimicrobial susceptibility of 509 rapidly growing mycobacteria strains isolated from clinical specimens in Japan
Authors: Kamada Keisuke , Yoshida Atsushi , Iguchi Shigekazu , Arai Yuko , Uzawa Yutaka , Konno Satoshi , Shimojima Masahiro , Kikuchi Ken
Published: June 2021

This study aimed to identify effective treatments against rapidly growing mycobacteria (RGM) infections by investigating the minimum inhibitory concentrations (MIC) of 24 antimicrobial agents and their molecular mechanisms of resistance. In total, 509 clinical RGM isolates were identified by analyzing the sequences of three housekeeping genes (hsp65, rpoB, and sodA), and their susceptibilities to 24 antimicrobial agents were tested. We also performed sequencing analysis of antimicrobial resistance genes (rrl, rrs, gyrA, and gyrB). To identify Mycobacteroides abscessus group subspecies, we performed PCR-based typing and determined the sequevar of erm(41). We identified 15 RGM species, most of which were susceptible to amikacin and linezolid. Among these species, arbekacin and sitafloxacin had the lowest MIC among the same class of antimicrobials. The MIC of rifabutin for M. abscessus subsp. abscessus (MAB) was lower than that for M. abscessus subsp. massiliense (MMA). The proportion of MAB isolates with MIC ≤ 2 mg/L for rifabutin was significantly higher than that of MMA [MAB: 50/178 (28.1%) vs. MMA: 23/130 (17.7%); p = 0.041]. In summary, our study revealed the antimicrobial susceptibility profile of 15 RGM species isolated in Japan and indicated that arbekacin, sitafloxacin, and rifabutin may be possible therapeutic options for RGM infections.
Variable immunodeficiency score upfront analytical link (VISUAL), a proposal for combined prognostic score at diagnosis of common variable immunodeficiency
Authors: Guevara-Hoyer Kissy , Jiménez-Huete Adolfo , Vasconcelos Julia , Neves Esmeralda , Sánchez-Ramón Silvia
Published: June 2021

The broad and heterogeneous clinical spectrum that characterizes common variable immunodeficiency (CVID) is associated with quite different disease course and prognosis, highlighting the need to develop tools that predict complications. We developed a multianalyte VISUAL score (variable immunodeficiency score upfront analytical link) aimed to predict severity using individual CVID patient data at baseline of a cohort of 50 CVID patients from two different centers in Portugal and Spain. We retrospectively applied VISUAL to the CVID clinical severity scores proposed by Ameratunga and Grimbacher after 15 years follow-up of our cohort. VISUAL score at CVID diagnosis showed adequate performance for predicting infectious and non-infectious severe complications (Cluster B). Compared to switched memory B lymphocyte phenotype alone, VISUAL provided a more accurate identification of clinically meaningful outcome, with significantly higher sensitivity (85% vs 55%, p = 0.01), and negative predictive value (77% vs 58%) and AUC of the ROC curves (0.72 vs 0.64), with optimal cut-off level of 10. For every increase of 1 point in the VISUAL scale, the odds of being in the higher risk category (Cluster B) increased in 1.3 (p = 0.005) for Ameratunga’s severity score and 1.26 (p = 0.004) for Grimbacher’s severity score. At diagnosis of CVID, VISUAL score ≥ 10 showed 8.94-fold higher odds of severe prognosis than below this threshold. Kaplan–Meier estimates for the VISUAL ≥ 10 points showed significantly earlier progression to Cluster B than those with VISUAL < 10 (p = 0.0002). This prognostic laboratory score might allow close monitoring and more aggressive treatment in patients with scores ≥ 10 on a personalized basis approach. Further studies are needed to prospectively validate VISUAL score.
Higher premature atrial complex burden from the Holter examination predicts poor cardiovascular outcome
Authors: Huang Ting-Chun , Lee Po-Tseng , Huang Mu-Shiang , Su Pei-Fang , Liu Ping-Yen
Published: June 2021

Premature atrial complexes (PACs) have been suggested to increase the risk of adverse events. The distribution of PAC burden and its dose–response effects on all-cause mortality and cardiovascular death had not been elucidated clearly. We analyzed 15,893 patients in a medical referral center from July 1st, 2011, to December 31st, 2018. Multivariate regression driven by ln PAC (beats per 24 h plus 1) or quartiles of PAC burden were examined. Older group had higher PAC burden than younger group (p for trend < 0.001), and both genders shared similar PACs distribution. In Cox model, ln PAC remained an independent risk factor for all-cause mortality (hazard ratio (HR) = 1.09 per ln PAC increase, 95% CI = 1.06‒1.12, p < 0.001). PACs were a significant risk factor in cause-specific model (HR = 1.13, 95% CI = 1.05‒1.22, p = 0.001) or sub-distribution model (HR = 1.12, 95% CI = 1.04‒1.21, p = 0.004). In ordinal PAC model, 4th quartile group had significantly higher risk of all-cause mortality than those in 1st quartile group (HR = 1.47, 95% CI = 1.13‒1.94, p = 0.005), but no difference in cardiovascular death were found in competing risk analysis. In subgroup analysis, the risk of high PAC burden was consistently higher than in low-burden group across pre-specified subgroups. In conclusion, PAC burden has a dose response effect on all-cause mortality and cardiovascular death.
Numerical tests of magnetoreception models assisted with behavioral experiments on American cockroaches
Authors: Lee Kai Sheng , Dumke Rainer , Paterek Tomasz
Published: June 2021

Many animals display sensitivity to external magnetic field, but it is only in the simplest organisms that the sensing mechanism is understood. Here we report on behavioural experiments where American cockroaches (Periplaneta americana) were subjected to periodically rotated external magnetic fields with a period of 10 min. The insects show increased activity when placed in a periodically rotated Earth-strength field, whereas this effect is diminished in a twelve times stronger periodically rotated field. We analyse established models of magnetoreception, the magnetite model and the radical pair model, in light of this adaptation result. A broad class of magnetite models, based on single-domain particles found in insects and assumption that better alignment of magnetic grains towards the external field yields better sensing and higher insect activity, is shown to be excluded by the measured data. The radical-pair model explains the data if we assume that contrast in the chemical yield on the order of one in a thousand is perceivable by the animal, and that there also exists a threshold value for detection, attained in an Earth-strength field but not in the stronger field.
Preparation and bacteriostatic research of porous polyvinyl alcohol / biochar / nanosilver polymer gel for drinking water treatment
Authors: Zhao Hang , Li Xuexiang , Zhang Liang , Hu Zhihui , Zhong Lvling , Xue Juanqin
Published: June 2021

Microbial contamination in drinking water has become an important threat to human health. There is thus an urgent need to develop antibacterial materials to treat drinking water. Here, porous silver-loaded biochar (C–Ag) was prepared using corn straw as the substrate and silver as the antibacterial agent. C–Ag was then uniformly distributed in polyvinyl alcohol gel beads of eluted calcium carbonate to prepare p-PVA/C–Ag antibacterial composite. The polymer composites were tested by FT-IR, XRD, SEM and TG-DSC. The results showed that C–Ag was more evenly distributed in the PVA gel spheres. Antibacterial experiments showed that p-PVA/C–Ag greatly inhibited Escherichia coli. Practical application tests revealed that p-PVA/C–Ag showed high and sustained bactericidal inhibition and reusability. Generally, p-PVA/C–Ag composite shows high potential to be applied to drinking water treatment.
Heat-killed endophytic bacterium induces robust plant defense responses against important pathogens
Authors: Portieles Roxana , Xu Hongli , Yue Qiulin , Zhao Lin , Zhang Dening , Du Lihua , Gao Xiangyou , Gao Jingyao , Portal Gonzalez Nayanci , Santos Bermudez Ramon , Borrás-Hidalgo Orlando
Published: June 2021

Stress caused by pathogens strongly damages plants. Developing products to control plant disease is an important challenge in sustainable agriculture. In this study, a heat-killed endophytic bacterium (HKEB), Bacillus aryabhattai, is used to induce plant defense against fungal and bacterial pathogens, and the main defense pathways used by the HKEB to activate plant defense are revealed. The HKEB induced high protection against different pathogens through the salicylic and jasmonic acid pathways. We report the presence of gentisic acid in the HKEB for the first time. These results show that HKEBs may be a useful tool for the management of plant diseases.
Impacts of stroke and cognitive impairment on activities of daily living in the Taiwan longitudinal study on aging
Authors: Lee Pi-Hsia , Yeh Ting-Ting , Yen Hsin-Yen , Hsu Wan-Ling , Chiu Valeria Jia-Yi , Lee Shu-Chun
Published: June 2021

Stroke and cognitive impairment are common in older population. They often occur together and their combined effects significantly increase disability in both basic (BADLs) and instrumental (IADLs) activities of daily living. We investigated the individual and combined impacts of stroke and cognitive impairment on BADLs and IADLs. A total of 3331 community-dwelling older adults were enrolled from the Taiwan longitudinal study on aging in 2011. Both BADLs and IADLs were analyzed. Combination of stroke and cognitive impairment increased severity of ADL disabilities, but similar prevalence, similar numbers of summed BADL and IADL tasks with disability, and similar levels of difficulty for each BADL and IADL task were found between the stroke group and cognitive impairment group. The former had more difficult in dressing while the latter had more difficult in using the telephone, transport, and managing finances. A hierarchy of ADLs was also observed in all groups. ADL skill training supplemented with cognitive and physical interventions should focus on secondary prevention of dementia and improve motor functional capacity to reduce loss of ADLs.
PARP inhibitors promote stromal fibroblast activation by enhancing CCL5 autocrine signaling in ovarian cancer
Authors: Li Xiaoting , Fang Tian , Xu Sen , Jin Ping , Zhou Dongchen , Wang Zhengzheng , Li Huayi , Yang Zongyuan , Chen Gang , Zheng Xu , Xia Yu , Wei Xiao , Zhang Zeyu , Yang Xin , Wang Ya , Gao Qinglei
Published: June 2021

Cancer-associated fibroblasts (CAFs) play significant roles in drug resistance through different ways. Antitumor therapies, including molecular targeted interventions, not only effect tumor cells but also modulate the phenotype and characteristics of CAFs, which can in turn blunt the therapeutic response. Little is known about how stromal fibroblasts respond to poly (ADP-ribose) polymerase inhibitors (PARPis) in ovarian cancer (OC) and subsequent effects on tumor cells. This is a study to evaluate how CAFs react to PARPis and their potential influence on PARPi resistance in OC. We discovered that OC stromal fibroblasts exhibited intrinsic resistance to PARPis and were further activated after the administration of PARPis. PARPi-challenged fibroblasts displayed a specific secretory profile characterized by increased secretion of CCL5, MIP-3α, MCP3, CCL11, and ENA-78. Mechanistically, increased secretion of CCL5 through activation of the NF-κB signaling pathway was required for PARPi-induced stromal fibroblast activation in an autocrine manner. Moreover, neutralizing CCL5 partly reversed PARPi-induced fibroblast activation and boosted the tumor inhibitory effect of PARPis in both BRCA1/2-mutant and BRCA1/2-wild type xenograft models. Our study revealed that PARPis could maintain and improve stromal fibroblast activation involving CCL5 autocrine upregulation. Targeting CCL5 might offer a new treatment modality in overcoming the reality of PARPi resistance in OC.
Lunar samples record an impact 4.2 billion years ago that may have formed the Serenitatis Basin
Authors: Černok Ana , White Lee F. , Anand Mahesh , Tait Kimberly T. , Darling James R. , Whitehouse Martin , Miljković Katarina , Lemelin Myriam , Reddy Steven M. , Fougerouse Denis , Rickard William D. A. , Saxey David W. , Ghent Rebecca
Published: June 2021

Impact cratering on the Moon and the derived size-frequency distribution functions of lunar impact craters are used to determine the ages of unsampled planetary surfaces across the Solar System. Radiometric dating of lunar samples provides an absolute age baseline, however, crater-chronology functions for the Moon remain poorly constrained for ages beyond 3.9 billion years. Here we present U–Pb geochronology of phosphate minerals within shocked lunar norites of a boulder from the Apollo 17 Station 8. These minerals record an older impact event around 4.2 billion years ago, and a younger disturbance at around 0.5 billion years ago. Based on nanoscale observations using atom probe tomography, lunar cratering records, and impact simulations, we ascribe the older event to the formation of the large Serenitatis Basin and the younger possibly to that of the Dawes crater. This suggests the Serenitatis Basin formed unrelated to or in the early stages of a protracted Late Heavy Bombardment.
Theoretical investigation of conformational deviation of the human parallel telomeric G-quadruplex DNA in the presence of different salt concentrations and temperatures under confinement
Authors: Pal Saikat , Paul Sandip
Published: June 2021

Conformational changes of the G-quadruplex DNA under confinement conditions.
Betel leaf extract and its major component hydroxychavicol promote osteogenesis and alleviate glucocorticoid-induced osteoporosis in rats
Authors: Mishra Rutusmita , Das Neeladrisingha , Varshney Ritu , Juneja Kriti , Sircar Debabrata , Roy Partha
Published: June 2021

Piper betle leaves possess several ethnomedicinal properties and are immensely used in traditional medicinal practices in regions of Asian and African subcontinents.
Lactoferrin ameliorates pathological cardiac hypertrophy related to mitochondrial quality control in aged mice
Authors: Huang Lishan , Chen Ruiyu , Liu Libin , Zhou Yu , Chen Zhou
Published: June 2021

Potential mechanisms of LF in alleviating pathological cardiac hypertrophy of aging.
Live monitoring of cellular metabolism and mitochondrial respiration in 3D cell culture system using NMR spectroscopy
Authors: Hertig Damian , Maddah Sally , Memedovski Roman , Kurth Sandra , Moreno Aitor , Pennestri Matteo , Felser Andrea , Nuoffer Jean-Marc , Vermathen Peter
Published: June 2021

We show sensitivity to detect substrate degradation rates of major mitochondrial fuel pathways and feasibility to simultaneously measure cellular oxygen consumption combining a commercially available flow tube system with a standard 5 mm NMR probe.
Analysis of protein phosphorylation in solution and in cells by using an ATP analogue in combination with fluorescence techniques
Authors: Li Yue , Huang Xiangyi , Ren Jicun
Published: June 2021

We synthesized a new ATP analogue ATP-NB, and a fluorescent probe TZ-Cy3 based on D–A reaction. Using fluorescent techniques, we established an efficient method for studying the phosphorylation of proteins in solution and in living cells.
Combining polarized low-frequency Raman with XRD to identify directional structural motifs in a pyrolysis precursor
Authors: Ben Uliel Tal , Farber Eliyahu M. , Aviv Hagit , Stroek Wowa , Farbinteanu Marilena , Tischler Yaakov R. , Eisenberg David
Published: June 2021

Combining polarized low-frequency Raman with single crystal XRD helps identify long–range structural motifs in a barium coordination crystal, and explain its behaviour as a pyrolysis precursor.
A spin-1/2 gapped compound CdCu2(SeO3)2Cl2 with a ladder structure
Authors: Zhang Mengsi , Cui Meiyan , Zhao Zhiying , Huang Xing , He Zhangzhen
Published: June 2021

A new spin-1/2 two-leg ladder compound CdCu2(SeO3)2Cl2 possesses a singlet ground state with a large spin gap of ∼409 K.
N,N′-bicarbazole-benzothiadiazole-based conjugated porous organic polymer for reactive oxygen species generation in live cells
Authors: Kundu Subhankar , Behera Biswajit , Giri Arkaprabha , Saha Nitu , Patra Abhijit
Published: June 2021

A conjugated porous organic polymer having high photostability, water dispersibility, and biocompatibility was demonstrated as an efficient photosensitizer for ROS generation in live cells.
A multicomponent tetrazolo indole synthesis
Authors: Lei Xiaofang , Lampiri Panagiota , Patil Pravin , Angeli Giasemi , Neochoritis Constantinos G. , Dömling Alexander
Published: June 2021

A short, diverse, and scalable Ugi synthesis towards the bioactive tetrazolo indoles.
Polymorphism in a two-dimensional copper(i) metal–organic framework with the ligand bis(4-pyridylthio)methane
Authors: Gómez-Paz Olaya , Carballo Rosa , Lago Ana B. , Vázquez-López Ezequiel M.
Published: June 2021

Study of the polymorphism observed in a copper(i) coordination polymer with a N,N bidentate ligand.
Oxygen-evolution reactions (OER) on transition-metal-doped Fe3Co(PO4)4 iron-phosphate surfaces: a first-principles study
Authors: Krishnan Yogeshwaran , Bandaru Sateesh , English Niall J.
Published: June 2021

A series of transition-metal-doped Fe1−xMxCo(PO4)4(010) and Fe3Co1−xMx(PO4)4(010) electro-catalyst surfaces (with M = Mn, Os, Ru, Rh and Ir) have been modelled via density-functional theory (DFT) to gauge their oxygen-evolution reactions (OER).
Benzyloxycalix[8]arene supported Pd–NHC cinnamyl complexes for Buchwald–Hartwig C–N cross-couplings
Authors: Abi Fayssal Sandra , Naret Timothée , Huc Vincent , Buendia Julien , Martini Cyril , Schulz Emmanuelle
Published: June 2021

The synthesis of a Pd–NHC cinnamyl-complex supported on a calix[8]arene and its use in Buchwald–Hartwig amination is reported. Thanks to the support, the products were isolated with low levels of residual palladium, in some cases below standards.
Insights on cold plasma ammonia synthesis and decomposition using alkaline earth metal-based perovskites
Authors: Gorky Fnu , Lucero Jolie M. , Crawford James M. , Blake Beth A. , Guthrie Shelby R. , Carreon Moises A. , Carreon Maria L.
Published: June 2021

Plasma catalytic ammonia synthesis & decomposition on perovskites. The blend of intrinsic properties (Mg electronegativity) with plasma awakens properties (plasma homogeneity induced by the dielectric constant) leads to high ammonia synthesis rates.
Recent advances in the direct conversion of syngas to oxygenates
Authors: Damma Devaiah , Smirniotis Panagiotis G.
Published: June 2021

Direct synthesis of oxygenates from syngas is a promising way to utilize non-petroleum carbon resources because the oxygenate products serve as precursors for the downstream production of fuels and value-added chemicals.
Rice-like and rose-like zinc silicates anchored on amorphous carbon derived from natural reed leaves for high-performance supercapacitors
Authors: Zhang Shaoqing , Liu Yanyan , Zheng Jiqi , Mu Yang , Jiang Hanmei , Yan Haoran , Wang Yanping , Zhang Yifu , Meng Changgong
Published: June 2021

N, S, P-doped rice-like C-Zn4Si2O7(OH)2·H2O and rose-like C-Zn2SiO4 are derived from reed leaves and used for application in supercapacitors.
Liquid metal batteries for future energy storage
Authors: Zhang Shilin , Liu Ye , Fan Qining , Zhang Chaofeng , Zhou Tengfei , Kalantar-Zadeh Kourosh , Guo Zaiping
Published: June 2021

A succinct but critical survey of the recent progress in LMBs is presented, comprising their intriguing electrode chemistries, underlying electrochemical behaviors with various electrolytes, and sophisticated electrode–electrolyte interfaces in the context of the most recent research and development.
Toxicity and translocation of Ag, CuO, ZnO and TiO2 nanoparticles upon exposure to fish intestinal epithelial cells
Authors: Geppert Mark , Sigg Laura , Schirmer Kristin
Published: June 2021

Understanding the ability of fish intestinal cells to act as a barrier for nanoparticle (NP) uptake and their effects is of significance from an environmental perspective as well as for human health, for which fish serves as an important nutrient source.
3D-ordered honeycomb-like nitrogen-doped micro–mesoporous carbon for brackish water desalination using capacitive deionization
Authors: Song Xue , Fang Dezhi , Huo Silu , Li Kexun
Published: June 2021

3D ordered honeycomb-like structured carbon was synthesized via a novel method and applied in CDI for the first time.
Rapid generation of hybrid biochemical/mechanical cues in heterogeneous droplets for high-throughput screening of cellular responses
Authors: Zhao Xing , Ou Gaozhi , Lei Mengcheng , Zhang Yang , Li Lina , Ge Anle , Wang Yachao , Li Yiwei , Liu Bi-Feng
Published: June 2021

Heterogeneous droplet array composites of hybrid biochemical/mechanical cues for high-throughput screening of cellular behaviors to various combinations of morphogens and matrix stiffness.
Dauricine inhibits human pancreatic carcinoma cell proliferation through regulating miRNAs
Authors: Jiang Ling , Guo Tianzhu , Jiang Ying , Liu Ping , Bai Yun
Published: June 2021

Bioinformatics analysis indicated that dau can down-regulate hsa-miR-325-5p, hsa-miR-126-3p, and hsa-miR-146a-5p to affect their cellular responses to stimuli, causing apoptosis and autophagy.
One-step aerosol synthesis of a double perovskite oxide (KBaTeBiO6) as a potential catalyst for CO2 photoreduction
Authors: Zhou Hao , Kouhnavard Mojgan , Jung Sungyoon , Mishra Rohan , Biswas Pratim
Published: June 2021

A novel double perovskite oxide KBaTeBiO6 with high purity was synthesized using single-step furnace aerosol reactors, demonstrating high CO2 photoreduction performance.
Synthesis of diblock copolymer spheres, worms and vesicles via RAFT aqueous emulsion polymerization of hydroxybutyl methacrylate
Authors: Hunter Saul J. , Lovett Joseph R. , Mykhaylyk Oleksandr O. , Jones Elizabeth R. , Armes Steven P.
Published: June 2021

RAFT aqueous emulsion polymerization of hydroxybutyl methacrylate using a poly(glycerol monomethacrylate) precursor leads to diblock copolymer spheres, worms or vesicles. A pseudo-phase diagram is constructed and the vesicles are briefly evaluated as a Pickering emulsifier.
Antitumor substitution-inert polynuclear platinum complexes stabilize G-quadruplex DNA and suppress G-quadruplex-mediated gene expression
Authors: Malina Jaroslav , Kostrhunova Hana , Farrell Nicholas P. , Brabec Viktor
Published: June 2021

Anticancer substitution-inert polynuclear platinum(ii) complexes (SI-PPCs) effectively stabilize DNA G-quadruplexes (G4) and terminate DNA polymerization on templates containing G4-forming sequences.
Recent advances in the capture and abatement of toxic gases and vapors by metal–organic frameworks
Authors: Zhang Yuanbin , Cui Xili , Xing Huabin
Published: June 2021

This review provides a comprehensive summary of the research progress of metal–organic frameworks in the application of capture and abatement of toxic gases and vapors.
Bimetal–organic-framework derived CoTiO3/C hexagonal micro-prisms as high-performance anode materials for metal ion batteries
Authors: Ouyang Baixue , Chen Tao , Qin Ran , Liu Penggao , Fan Xiaowen , Wang Jue , Liu Weifang , Liu Kaiyu
Published: June 2021

The CoTiO3/C synthesized by a simple morphology-controlled strategy, inhibiting structural collapse, alleviating volume expansion and facilitating the cyclic stability, exhibits a high cycle stability and high-capacity retention.
Electron beam lithography for direct patterning of MoS2 on PDMS substrates
Authors: Jumbert Gil , Placidi Marcel , Alzina Francesc , Sotomayor Torres Clivia M. , Sledzinska Marianna
Published: June 2021

Precise patterning of 2D materials into micro- and nanostructures presents a considerable challenge and many efforts are dedicated to the development of processes alternative to the standard lithography.
Elucidating the mechanism and origins of selectivity on catalyst-dependent cyclization reactions to form polycyclic indolines from a theoretical study
Authors: Zhang Yan , Yang Yongsheng , Xue Ying
Published: June 2021

The mechanism and origins of selectivities of multiply catalyzed cyclization reactions catalyzed by Rh2(esp)2and InCl3are investigated by DFT calculations as well as distortion/interaction and noncovalent interaction (NCI) analyses.
UV-enhanced nano-nickel ferrite-activated peroxymonosulfate for the degradation of chlortetracycline hydrochloride in aqueous solution
Authors: Zhang Lingxing , Zhang Rui , Wang Wenna , Han Shuang , Xiao Pengfei
Published: June 2021

Ultraviolet radiation combined with nano-NiFe2O4can effectively activate peroxymonosulfate to produce1O2, SO4−·and OH−·, which have excellent capacity for degradation of chlortetracycline hydrochloride.
Paramagnetic solid-state NMR assignment and novel chemical conversion of the aldehyde group to dihydrogen ortho ester and hemiacetal moieties in copper(ii)- and cobalt(ii)-pyridinecarboxaldehyde complexes
Authors: Crespi Ayelén F. , Sánchez Verónica M. , Vega Daniel , Pérez Ana L. , Brondino Carlos D. , Linck Yamila Garro , Hodgkinson Paul , Rodríguez-Castellón Enrique , Lázaro-Martínez Juan M.
Published: June 2021

The complex chemical functionalization of the aldehyde group was elucidated in copper and cobalt complexes for 4- and 3-pyridinecarboxaldehyde ligands.
Room temperature facile synthesis of olivine-Co2SiO4 nanoparticles utilizing a mechanochemical method
Authors: Nguyen Phuong Q. H. , Zhang Dongzhou , Rapp Robert , Bradley John P. , Dera Przemyslaw
Published: June 2021

Impact pressure induces synthesis of nanocrystalline olivine Co2SiO4.
Coupling selective laser sintering and supercritical CO2 foaming for 3D printed porous polyvinylidene fluoride with improved piezoelectric performance
Authors: Yang Cheng , Chen Ning , Liu Xingang , Wang Qi , Zhang Chuhong
Published: June 2021

In this study, a facile strategy coupling selective laser sintering (SLS) and supercritical carbon dioxide (ScCO2) foaming technology is proposed to prepare a three-dimensional porous polyvinylidene fluoride (PVDF) with an improved piezoelectric output.
Applications of aryl-sulfinamides in the synthesis of N-heterocycles
Authors: Philip Rose Mary , Treesa G. S. Susan , Saranya Salim , Anilkumar Gopinathan
Published: June 2021

The review comprehends the usage of arylsulfinamides for the construction of diverse N-heterocycles like piperidines, pyrrolidines, aziridines, and their fused derivatives.
Comparison of the performance of magnetic targeting drug carriers prepared using two synthesis methods
Authors: Shi Zhen , Wang Yazhen , Dong Shaobo , Lan Tianyu
Published: June 2021

Roadmap for the synthesis of Fe3O4–PVA@SH using the step-by-step method and one-pot method.
Atroposelective synthesis of N-aryl peptoid atropisomers via a palladium(ii)-catalyzed asymmetric C–H alkynylation strategy
Authors: Wu Yong-Jie , Xie Pei-Pei , Zhou Gang , Yao Qi-Jun , Hong Xin , Shi Bing-Feng
Published: June 2021

The introduction of chirality into peptoids is an important strategy to determine a discrete and robust secondary structure.
High-yield and sustainable synthesis of quinoidal compounds assisted by keto–enol tautomerism
Authors: Wang Cheng , Du Tian , Deng Yunfeng , Yao Jiarong , Li Riqing , Zhao Xuxia , Jiang Yu , Wei Haipeng , Dang Yanfeng , Li Rongjin , Geng Yanhou
Published: June 2021

Facilitated by the highly efficient Pd-catalyzed coupling and keto–enol-tautomerism-assisted spontaneous air oxidation, various indandione-terminated quinoidal compounds have been synthesized in isolated yields up to 95%.
The dioxasilepanyl group as a versatile organometallic unit: studies on stability, reactivity, and utility
Authors: Saito Hayate , Shimokawa Jun , Yorimitsu Hideki
Published: June 2021

A bulky 7-membered dioxasilepanyl group has been established as a new organometallic unit for multistep organic syntheses.
An effective and versatile strategy for the synthesis of structurally diverse heteroarylsilanesviaIr(iii)-catalyzed C–H silylation
Authors: Yan Zhi-Bo , Peng Meng , Chen Qi-Long , Lu Ka , Tu Yong-Qiang , Dai Kun-Long , Zhang Fu-Min , Zhang Xiao-Ming
Published: June 2021

A versatile silylation of heteroaryl C–H bonds is accomplished under the catalysis of a well-defined spirocyclic NHC Ir(iii) complex (SNIr), generating a variety of heteroarylsilanes.
Stereoselective tandem iridium-catalyzed alkene isomerization-cope rearrangement of ω-diene epoxides: efficient access to acyclic 1,6-dicarbonyl compounds
Authors: Suresh Rahul , Massad Itai , Marek Ilan
Published: June 2021

Iridium catalyzed alkene isomerization-cope rearrangement of ω-diene epoxide furnishes 3,4-dihydrooxepines. These oxepines are hydrolyzed to diastereomerically pure 1,6-dicarbonyl compound containing two contiguous stereocenters within acyclic system.
Correction: Recovery of the self-cleaning property of silicon elastomers utilizing the concept of reversible coordination bonds
Authors: Shan Yuxing , Zhou Zhi , Bai Haoming , Wang Ting , Liu Lili , Zhao Xiuli , Huang Yawen
Published: June 2021

Correction for ‘Recovery of the self-cleaning property of silicon elastomers utilizing the concept of reversible coordination bonds’ by Yuxing Shan et al., Soft Matter, 2020, 16, 8473–8481, DOI: 10.1039/D0SM01264E.
Synergistic effects of nanodiamond modified separators toward highly stable and safe lithium metal batteries
Authors: Zhou Ying , Zhao Kai , Zhang Jiaming , Zhu Yu , Ma Yue , Zhang Hongzhou , Song Dawei , Shi Xixi , Zhang Lianqi , Ding Yi
Published: June 2021

A nanodiamond modified separator that simultaneously features favorable electrolyte affinity, outstanding mechanical strength and thermal diffusion ability has been designed for use in the development of highly stable and safe lithium metal batteries.
Hydrothermally derived p–n MoS2–ZnO from p–p MoS2-ZIF-8 for an efficient detection of NO2 at room temperature
Authors: Ikram Muhammad , Lv He , Liu Zhuo , Shi Keying , Gao Yongxiang
Published: June 2021

A hydrothermal method was developed to convert rhombic p–p MoS2@ZIF-8 into a rodlike p–n MoS2@ZnO heterostructure with a large surface area for sensitive detection of NO2 at room temperature.
Easy-plane to easy-axis anisotropy switching in a Co(ii) single-ion magnet triggered by the diamagnetic lattice
Authors: Nehrkorn Joscha , Valuev Igor A. , Kiskin Mikhail A. , Bogomyakov Artem S. , Suturina Elizaveta A. , Sheveleva Alena M. , Ovcharenko Victor I. , Holldack Karsten , Herrmann Carmen , Fedin Matvey V. , Schnegg Alexander , Veber Sergey L.
Published: June 2021

Single-ion magnet properties are improved by embedding in a non-isostructural diamagnetic host lattice.
Robust detection of small and dense objects in images from autonomous aerial vehicles
Authors: Lee Joo Chan , Yoo JeongYeop , Kim Yongwoo , Moon SungTae , Ko Jong Hwan
Published: June 2021

Aerial images obtained from autonomous aerial vehicles have lots of small and densely distributed objects because of the capture distance. This paper proposes a deep neural network architecture and training/inference techniques for robust detection of objects in the aerial images. Based on cascade R‐CNN, the proposed model adopts the recursive feature pyramid and switchable atrous convolution for robust detection of dense objects. A patch‐level division and multi‐scale inference techniques are applied to effectively detect small objects. The results show that the proposed approach achieves the highest performance on the VisDrone test‐dev dataset, in the official ECCV VisDrone2020‐DET challenge.
Diagnostic capabilities of spectropolarimetric observations for understanding solar phenomena
Authors: Quintero Noda C. , Barklem P. S. , Gafeira R. , Ruiz Cobo B. , Collados M. , Carlsson M. , Martínez Pillet V. , Orozco Suárez D. , Uitenbroek H. , Katsukawa Y.
Published: June 2021

Future ground-based telescopes will expand our capabilities for simultaneous multi-line polarimetric observations in a wide range of wavelengths, from the near-ultraviolet to the near-infrared. This creates a strong demand to compare candidate spectral lines to establish a guideline of the lines that are most appropriate for each observation target. We focused in this first work on Zeeman-sensitive photospheric lines in the visible and infrared. We first examined their polarisation signals and response functions using a 1D semi-empirical atmosphere. Then we studied the spatial distribution of the line core intensity and linear and circular polarisation signals using a realistic 3D numerical simulation. We ran inversions of synthetic profiles, and we compared the heights at which we obtain a high correlation between the input and the inferred atmosphere. We also used this opportunity to revisit the atomic information we have on these lines and computed the broadening cross-sections due to collisions with neutral hydrogen atoms for all the studied spectral lines. The results reveal that four spectral lines stand out from the rest for quiet-Sun and network conditions: Fe I 5250.2, 6302, 8468, and 15 648 Å. The first three form higher in the atmosphere, and the last line is mainly sensitive to the atmospheric parameters at the bottom of the photosphere. However, as they reach different heights, we strongly recommend using at least one of the first three candidates together with the Fe I 15 648 Å line to optimise our capabilities for inferring the thermal and magnetic properties of the lower atmosphere.
MPS-ATLAS: A fast all-in-one code for synthesising stellar spectra
Authors: Witzke V. , Shapiro A. I. , Cernetic M. , Tagirov R. V. , Kostogryz N. M. , Anusha L. S. , Unruh Y. C. , Solanki S. K. , Kurucz R. L.
Published: June 2021

Context. Stellar spectral synthesis is essential for various applications, ranging from determining stellar parameters to comprehensive stellar variability calculations. New observational resources as well as advanced stellar atmosphere modelling, taking three dimensional effects from radiative magnetohydrodynamics calculations into account, require a more efficient radiative transfer.

Aims. For accurate, fast and flexible calculations of opacity distribution functions (ODFs), stellar atmospheres, and stellar spectra, we developed an efficient code building on the well-established ATLAS9 code. The new code also paves the way for easy and fast access to different elemental compositions in stellar calculations.

Methods. For the generation of ODF tables, we further developed the well-established DFSYNTHE code by implementing additional functionality and a speed-up by employing a parallel computation scheme. In addition, the line lists used can be changed from Kurucz’s recent lists. In particular, we implemented the VALD3 line list.

Results. A new code, the Merged Parallelised Simplified ATLAS, is presented. It combines the efficient generation of ODF, atmosphere modelling, and spectral synthesis in local thermodynamic equilibrium, therefore being an all-in-one code. This all-in-one code provides more numerical functionality and is substantially faster compared to other available codes. The fully portable MPS-ATLAS code is validated against previous ATLAS9 calculations, the PHOENIX code calculations, and high-quality observations.
The young massive SMC cluster NGC 330 seen by MUSE
Authors: Bodensteiner J. , Sana H. , Wang C. , Langer N. , Mahy L. , Banyard G. , de Koter A. , de Mink S. E. , Evans C. J. , Götberg Y. , Patrick L. R. , Schneider F. R. N. , Tramper F.
Published: June 2021

Context.Observations of massive stars in open clusters younger than ∼8 Myr have shown that a majority of them are in binary systems, most of which will interact during their life. While these can be used as a proxy of the initial multiplicity properties, studying populations of massive stars older than ∼20 Myr allows us to probe the outcome of these interactions after a significant number of systems have experienced mass and angular momentum transfer and may even have merged.

Aims.Using multi-epoch integral-field spectroscopy, we aim to investigate the multiplicity properties of the massive-star population in the dense core of the ∼40 Myr old cluster NGC 330 in the Small Magellanic Cloud in order to search for possible imprints of stellar evolution on the multiplicity properties.

Methods.We obtained six epochs of VLT/MUSE observations operated in wide-field mode with the extended wavelength setup and supported by adaptive optics. We extracted spectra and measured radial velocities for stars brighter thanmF814W = 19. We identified single-lined spectroscopic binaries through significant RV variability with a peak-to-peak amplitude larger than 20 km s−1. We also identified double-lined spectroscopic binaries, and quantified the observational biases for binary detection. In particular, we took into account that binary systems with similar line strengths are difficult to detect in our data set.

Results.The observed spectroscopic binary fraction among stars brighter thanmF814W = 19 (approximately 5.5M⊙on the main sequence) isfSBobs= 13.2 ± 2.0%. Considering period and mass ratio ranges from log(P) = 0.15−3.5 (about 1.4 to 3160 d),q = 0.1−1.0, and a representative set of orbital parameter distributions, we find a bias-corrected close binary fraction offcl= 34−7+8%. This fraction seems to decline for the fainter stars, which indicates either that the close binary fraction drops in the B-type domain, or that the period distribution becomes more heavily weighted toward longer orbital periods. We further find that both fractions vary strongly in different regions of the color-magnitude diagram, which corresponds to different evolutionary stages. This probably reveals the imprint of the binary history of different groups of stars. In particular, we find that the observed spectroscopic binary fraction of Be stars (fSBobs= 2 ± 2%) is significantly lower than that of B-type stars (fSBobs= 9 ± 2%).

Conclusions.We provide the first homogeneous radial velocity study of a large sample of B-type stars at a low metallicity ([Fe/H] ≲ −1.0). The overall bias-corrected close binary fraction (log(P) < 3.5 d) of the B-star population in NGC 330 is lower than the fraction reported for younger Galactic and Large Magellanic Cloud clusters in previous works. More data are needed, however, to establish whether the observed differences are caused by an age or a metallicity effect.
The similarity of the interstellar comet 2I/Borisov to Solar System comets from high-resolution optical spectroscopy
Authors: Opitom C. , Jehin E. , Hutsemékers D. , Shinnaka Y. , Manfroid J. , Rousselot P. , Raghuram S. , Kawakita H. , Fitzsimmons A. , Meech K. , Micheli M. , Snodgrass C. , Yang B. , Hainaut O.
Published: June 2021

Aims. 2I/Borisov (hereafter 2I) is the first visibly active interstellar comet observed in the Solar System, allowing us for the first time to sample the composition of a building block from another system. We report on the monitoring of 2I with the Ultraviolet-Visual Echelle Spectrograph, the high-resolution optical spectrograph of the ESO Very Large Telescope at Paranal, for four months from November 15, 2019 to March 16, 2020. Our goal is to characterise the activity and composition of 2I with respect to Solar System comets.

Methods. We collected high-resolution spectra at 12 different epochs from 2.1 au pre-perihelion to 2.6 au post-perihelion.

Results. On December 24 and 26, 2019, close to perihelion, we detected several OH lines of the 309 nm (0–0) band and derived a water production rate of 2.2 ± 0.2 × 1026 molecules s−1. The three [OI] forbidden oxygen lines were detected at different epochs and we derived a green-to-red doublet intensity ratio (G/R) of 0.31 ± 0.05 close to perihelion. The NH2 ortho and para lines from various bands were measured and allowed us to derive an ortho-to-para abundance ratio (OPR) of 3.21 ± 0.15, corresponding to an OPR and spin temperature of ammonia of 1.11 ± 0.08 and 31−5+10 K, respectively. These values are consistent with the values usually measured for Solar System comets. Emission lines of the radicals NH (336 nm), CN (388 nm), CH (431 nm), and C2 (517 nm) were also detected. Several FeI and NiI lines were identified and their intensities were measured to provide a ratio of log (NiI/FeI) = 0.21 ± 0.18, which is in agreement with the value recently found in Solar System comets.

Conclusions. Our high spectral resolution observations of 2I/Borisov and the associated measurements of the NH2 OPR and the Ni/Fe abundance ratio are remarkably similar to Solar System comets. Only the G/R ratio is unusually high, but it is consistent with the high abundance ratio of CO/H2O found by other investigators.
Research on properties of solidified loess with calcined ginger nuts in rammed earth for sapping area of earthen sites
Authors: Li Qifeng , Dang Bing , Kong Chuipeng , Peng Erxing , Cao Wei , Hu Xiaoying , Li Dandan
Published: June 2021

As a non-toxic and pollution-free curing agent, calcined ginger nuts is introduced to protect rock soil cultural relics recently. In order to study the weatherability, chroma and mechanical properties of solidified loess with calcined ginger nuts, based on the reinforcement project of sapping area of Niutoucheng site in Lintan County of China, a series of tests were conducted at different ages. The results show that the properties of solidified loess are related to the dosage and curing ages. With the increase of dosage and ages, the anti disintegration and anti shrinkage properties are improved, and the mechanical properties are also improved. This study validates that as a new material, calcined ginger nuts is an effective curing agent for rammed earth to reinforce earthen sites. Moreover, the study provides support for its application in earthen sites and reveals its potential engineering practical value.
Harmonious development and dynamic correlation analysis of new energy industry agglomeration innovative human capital and green economic growth
Authors: Wang Yubo , Li Aohan , Cheng Shiyun
Published: June 2021

By selecting the data from 2004 to 2016, this paper studies the coupling and coordinated development of new energy industry agglomeration, innovative human capital and green economic growth in China. The results show the characteristics of “high coupling and low coordination”. At the same time, the coordination level shows a step-like distribution from the southeast coastal areas to the southwest and northwest regions. Through the establishment of PVAR model, it is found that the energy industry agglomeration and economic green development have a circular driving force, while the innovative human capital has a negative effect. The regional heterogeneity mainly exists in the central and western regions.
Mathematical models of non-sinusoidal power supply of a three-phase transverse field MHD inductor
Authors: Tyapin Aleksey , Panteleev Vasiliy , Kinev Evgeny
Published: June 2021

The article presents an approach to the development of mathematical models of non-sinusoidal and dual-frequency power supply for a linear induction MHD machine for metallurgical purposes. The issues of construction and numerical modeling of the modes of a three-phase inductor for a liquid aluminum stirrer are considered. Reduction of losses is ensured by the use of a toothless design of the MHD inductor. The absence of steel teeth reduces saturation of the magnetic circuit and current distortion. It is proposed to use the parametric model of the inductor under the furnace in the ANSYS environment to clarify the modes of the complex. To take into account mutual induction, using controlled sources, a circuit model was built, and a numerical calculation of the modes was carried out. The characteristics of instantaneous currents and voltages are obtained when powered from a three-phase source with close frequencies, with pronounced beats. It is shown that the presence of mutual inductance redistributes currents in the delta windings, which must be taken into account when developing the design of linear induction machines. It is proposed to use sources with non-sinusoidal periodic currents in the modeling system. The analysis is carried out and the main types of modulated voltage characteristics in the power supply system of the induction MHD stirrer are shown.
Multi-agent deep reinforcement learning concept for mobile cyber-physical systems control
Authors: Petrenko Vyacheslav , Gurchinskiy Mikhail
Published: June 2021

High complexity of mobile cyber physical systems (MCPS) dynamics makes it difficult to apply classical methods to optimize the MCPS agent management policy. In this regard, the use of intelligent control methods, in particular, with the help of artificial neural networks (ANN) and multi-agent deep reinforcement learning (MDRL), is gaining relevance. In practice, the application of MDRL in MCPS faces the following problems: 1) existing MDRL methods have low scalability; 2) the inference of the used ANNs has high computational complexity; 3) MCPS trained using existing methods have low functional safety. To solve these problems, we propose the concept of a new MDRL method based on the existing MADDPG method. Within the framework of the concept, it is proposed: 1) to increase the scalability of MDRL by using information not about all other MCPS agents, but only about n nearest neighbors; 2) reduce the computational complexity of ANN inference by using a sparse ANN structure; 3) to increase the functional safety of trained MCPS by using a training set with uneven distribution of states. The proposed concept is expected to help address the challenges of applying MDRL to MCPS. To confirm this, it is planned to conduct experimental studies.
Configuration reconstruction elastic mechanics method for repairing a faulted Walker constellation performance
Authors: He Boyong , Li Hengnian , Zhou Qingrui , Ma Weiran
Published: June 2021

Walker constellation is the most effective constellation for global coverage and is often used for earth observation, navigation and internet communication. A scenario that several faulted satellites in a Walker constellation lead to its performance degradation can be quickly repaired to a certain extent by reconstructing the on-orbit satellite configuration. Different from the classical strategies such as adjusting the phase of the adjacent satellites, uniform the on-satellites' phase and adjusting the plane of the adjacent satellites, this paper proposes a bionic reconstruction method which uses the elastic mechanics method of thin film plate to generate the satellite maneuver strategy in the constellation reconstruction process, minimizes the performance degradation between the repaired configuration and the previous configuration. Thus, the maneuver strategy of each satellite can be calculated in reversely. The simulation example shows that the maneuver strategy by the bionic reconstruction method is more harmonious and natural than the classical strategies.