bluuebunny/crossref_metadata_2025 huggingface dataset:
Discovery of first-in-class inhibitors of ASH1L histone methyltransferase with anti-leukemic activity
Authors: Rogawski David S. , Deng Jing , Li Hao , Miao Hongzhi , Borkin Dmitry , Purohit Trupta , Song Jiho , Chase Jennifer , Li Shuangjiang , Ndoj Juliano , Klossowski Szymon , Kim EunGi , Mao Fengbiao , Zhou Bo , Ropa James , Krotoska Marta Z. , Jin Zhuang , Ernst Patricia , Feng Xiaomin , Huang Gang , Nishioka Kenichi , Kelly Samantha , He Miao , Wen Bo , Sun Duxin , Muntean Andrew , Dou Yali , Maillard Ivan , Cierpicki Tomasz , Grembecka Jolanta
Published: May 2021

ASH1L histone methyltransferase plays a crucial role in the pathogenesis of different diseases, including acute leukemia. While ASH1L represents an attractive drug target, developing ASH1L inhibitors is challenging, as the catalytic SET domain adapts an inactive conformation with autoinhibitory loop blocking the access to the active site. Here, by applying fragment-based screening followed by medicinal chemistry and a structure-based design, we developed first-in-class small molecule inhibitors of the ASH1L SET domain. The crystal structures of ASH1L-inhibitor complexes reveal compound binding to the autoinhibitory loop region in the SET domain. When tested in MLL leukemia models, our lead compound, AS-99, blocks cell proliferation, induces apoptosis and differentiation, downregulates MLL fusion target genes, and reduces the leukemia burden in vivo. This work validates the ASH1L SET domain as a druggable target and provides a chemical probe to further study the biological functions of ASH1L as well as to develop therapeutic agents.
Visible colorimetric dosimetry of UV and ionizing radiations by a dual-module photochromic nanocluster
Authors: Lu Huangjie , Xie Jian , Wang Xin-Yu , Wang Yaxing , Li Zi-Jian , Diefenbach Kariem , Pan Qing-Jiang , Qian Yuan , Wang Jian-Qiang , Wang Shuao , Lin Jian
Published: May 2021

Radiation dosimeters displaying conspicuous response of irradiance are highly desirable, owing to the growing demand of monitoring high-energy radiation and environmental exposure. Herein, we present a case of dosimetry based on a discrete nanocluster, [Th6(OH)4(O)4(H2O)6](TPC)8(HCOO)4∙4DMF∙H2O (Th-SINAP-100), by judiciously incorporating heavy Th6 polynuclear centers as radiation attenuator and organic linkers as photo-responsive sensor. Interestingly, dual-module photochromic transitions upon multiple external stimuli including UV, β-ray, and γ-ray are integrated into this single material. The striking color change, and more significantly, the visible color transition of luminescence in response to accumulating radiation dose allow an on-site quantitative platform for naked-eye detection of ionization radiations over a broad range (1–80 kGy). Single crystal X-ray diffraction and density functional theory calculations reveal that the dual-module photochromism can be attributed to the π(TPC) → π*(TPC) intermolecular charge transfer driven by enhanced π-π stacking interaction between the adjacent TPC moieties upon irradiation.
Potential changes in the connectivity of marine protected areas driven by extreme ocean warming
Authors: Lima Luciana Shigihara , Gherardi Douglas Francisco Marcolino , Pezzi Luciano Ponzi , Passos Leilane Gonçalves dos , Endo Clarissa Akemi Kajiya , Quimbayo Juan Pablo
Published: May 2021

Projected future climate scenarios anticipate a warmer tropical ocean and changes in surface currents that will likely influence the survival of marine organisms and the connectivity of marine protected areas (MPAs) networks. We simulated the regional effects of climate change on the demographic connectivity of parrotfishes in nine MPAs in the South Atlantic through downscaling of the HadGEM2-ES Earth System Model running the RCP 8.5 greenhouse gas trajectory. Results indicate a tropicalization scenario over the tropical southwest Atlantic following an increase of sea surface temperature (SST) between 1.8 and 4.5 °C and changes in mean surface currents between − 0.6 to 0.5 m s−1relative to present conditions. High mortality rates will reduce demographic connectivity and increase the isolation of oceanic islands. The simulation of organismal response to ocean warming shows that acclimation can significantly improve (p < 0.001) particle survival, promoting connectivity and tropicalization of MPAs, with potential impacts on their functional integrity and long-term resilience.
The durability of flexible eddy current array (FECA) sensors in harsh service environments
Authors: Song Yujian , Chen Tao , Cui Ronghong , He Yuting , Fan Xianghong , Ma Binlin
Published: May 2021

Sensors for structural health monitoring (SHM) need to be permanently integrated on structures and withstand the harsh service environments, which has been a big challenge for the application of SHM in aircrafts. This paper focuses on the durability of flexible eddy current array (FECA) sensors in harsh service environments of aircrafts, including vibration environment and several typical exposed environments. First, a kind of FECA sensor is illustrated and its integration method is proposed. Moreover, in order to study the durability of the sensor in vibration environment, the modal analysis is performed by the finite element method. According to the simulation results, the durability experiment in vibration environment is carried out under the fourth order vibration mode, which makes the sensor suffer the harshest vibration loads. During the vibration experiment, output signals of the sensor keep stable and the sensor is well bonded to the structure, which shows the integrated sensor has high durability in vibration environment. Finally, the durability of integrated sensors is separately tested in three exposed environments, including salt fog corrosion environment, fluid immersion environment, as well as hygrothermal and ultraviolet-radiation environment. After these environmental exposure experiments, all sensors are well bonded to structures and can effectively monitor fatigue cracks, which shows great durability. Therefore, FECA sensors can survive in harsh service environments of aircrafts, which provides important support for the engineering applications of FECA sensors.
Sharp rises in large-scale, long-duration precipitation extremes with higher temperatures over Japan
Authors: Hatsuzuka Daisuke , Sato Tomonori , Higuchi Yoshihito
Published: May 2021

The intensity of extreme precipitation has been projected to increase with increasing air temperature according to the thermodynamic Clausius–Clapeyron (C-C) relation. Over the last decade, observational studies have succeeded in demonstrating the scaling relationship between extreme precipitation and temperature to understand the projected changes. In mid-latitude coastal regions, intense precipitation is strongly influenced by synoptic patterns and a particular characteristic is the long-lasting heavy precipitation driven by abundant moisture transport. However, the effect of synoptic patterns on the scaling relationship remains unclear. Here we conduct an event-based analysis using long-term historical records in Japan, to distinguish extreme precipitation arising from different synoptic patterns. We find that event peak intensity increases more sharply in persistent precipitation events, which lasted more than 10 h, sustained by atmospheric river-like circulation patterns. The long duration-accumulated precipitation extremes also increase with temperature at a rate considerably above the C-C rate at higher temperatures. Our result suggests that long-lasting precipitation events respond more to warming compared with short-duration events. This greatly increases the risks of future floods and landslides in the mid-latitude coastal regions.
Deep learning for diagnosis of acute promyelocytic leukemia via recognition of genomically imprinted morphologic features
Authors: Sidhom John-William , Siddarthan Ingharan J. , Lai Bo-Shiun , Luo Adam , Hambley Bryan C. , Bynum Jennifer , Duffield Amy S. , Streiff Michael B. , Moliterno Alison R. , Imus Philip , Gocke Christian B. , Gondek Lukasz P. , DeZern Amy E. , Baras Alexander S. , Kickler Thomas , Levis Mark J. , Shenderov Eugene
Published: May 2021

Acute promyelocytic leukemia (APL) is a subtype of acute myeloid leukemia (AML), classified by a translocation between chromosomes 15 and 17 [t(15;17)], that is considered a true oncologic emergency though appropriate therapy is considered curative. Therapy is often initiated on clinical suspicion, informed by both clinical presentation as well as direct visualization of the peripheral smear. We hypothesized that genomic imprinting of morphologic features learned by deep learning pattern recognition would have greater discriminatory power and consistency compared to humans, thereby facilitating identification of t(15;17) positive APL. By applying both cell-level and patient-level classification linked to t(15;17) PML/RARA ground-truth, we demonstrate that deep learning is capable of distinguishing APL in both discovery and prospective independent cohort of patients. Furthermore, we extract learned information from the trained network to identify previously undescribed morphological features of APL. The deep learning method we describe herein potentially allows a rapid, explainable, and accurate physician-aid for diagnosing APL at the time of presentation in any resource-poor or -rich medical setting given the universally available peripheral smear.
Exploring the feasibility of using real-world data from a large clinical data research network to simulate clinical trials of Alzheimer’s disease
Authors: Chen Zhaoyi , Zhang Hansi , Guo Yi , George Thomas J. , Prosperi Mattia , Hogan William R. , He Zhe , Shenkman Elizabeth A. , Wang Fei , Bian Jiang
Published: May 2021

In this study, we explored the feasibility of using real-world data (RWD) from a large clinical research network to simulate real-world clinical trials of Alzheimer’s disease (AD). The target trial (i.e., NCT00478205) is a Phase III double-blind, parallel-group trial that compared the 23 mg donepezil sustained release with the 10 mg donepezil immediate release formulation in patients with moderate to severe AD. We followed the target trial’s study protocol to identify the study population, treatment regimen assignments and outcome assessments, and to set up a number of different simulation scenarios and parameters. We considered two main scenarios: (1) a one-arm simulation: simulating a standard-of-care (SOC) arm that can serve as an external control arm; and (2) a two-arm simulation: simulating both intervention and control arms with proper patient matching algorithms for comparative effectiveness analysis. In the two-arm simulation scenario, we used propensity score matching controlling for baseline characteristics to simulate the randomization process. In the two-arm simulation, higher serious adverse event (SAE) rates were observed in the simulated trials than the rates reported in original trial, and a higher SAE rate was observed in the 23 mg arm than in the 10 mg SOC arm. In the one-arm simulation scenario, similar estimates of SAE rates were observed when proportional sampling was used to control demographic variables. In conclusion, trial simulation using RWD is feasible in this example of AD trial in terms of safety evaluation. Trial simulation using RWD could be a valuable tool for post-market comparative effectiveness studies and for informing future trials’ design. Nevertheless, such an approach may be limited, for example, by the availability of RWD that matches the target trials of interest, and further investigations are warranted.
Non-quaternary oximes detoxify nerve agents and reactivate nerve agent-inhibited human butyrylcholinesterase
Authors: Amitai Gabriel , Plotnikov Alexander , Chapman Shira , Lazar Shlomi , Gez Rellie , Loewenthal Dan , Shurrush Khriesto A. , Cohen Galit , Solmesky Leonardo J. , Barr Haim , Russell Alan J.
Published: May 2021

Government-sanctioned use of nerve agents (NA) has escalated dramatically in recent years. Oxime reactivators of organophosphate (OP)-inhibited acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) serve as antidotes toward poisoning by OPNAs. The oximes used as therapeutics are quaternary compounds that cannot penetrate the blood–brain barrier (BBB). There remains an urgent need for the development of next generation OPNA therapeutics. We have developed two high-throughput screening (HTS) assays using a fluorogenic NA surrogate, O-ethyl methylphosphonyl O-4-methyl-3-cyano-coumarin (EMP-MeCyC). EMP-MeCyC detoxification and EMP-BChE reactivation screening campaigns of ~155,000 small molecules resulted in the identification of 33 nucleophile candidates, including non-quaternary oximes. Four of the oximes were reactivators of both Sarin- and VX-inhibited BChE and directly detoxified Sarin. One oxime also detoxified VX. The novel reactivators included a non-quaternary pyridine amidoxime, benzamidoxime, benzaldoxime and a piperidyl-ketoxime. The VX-inhibited BChE reactivation reaction rates by these novel molecules were similar to those observed with known bis-quaternary reactivators and faster than mono-quaternary pyridinium oximes. Notably, we discovered the first ketoxime reactivator of OP-ChEs and detoxifier of OPNAs. Preliminary toxicological studies demonstrated that the newly discovered non-quaternary oximes were relatively non-toxic in mice. The discovery of unique non-quaternary oximes opens the door to the design of novel therapeutics and decontamination agents following OPNA exposure.
Oxygen tension modulates the mitochondrial genetic bottleneck and influences the segregation of a heteroplasmic mtDNA variant in vitro
Authors: Pezet Mikael G. , Gomez-Duran Aurora , Klimm Florian , Aryaman Juvid , Burr Stephen , Wei Wei , Saitou Mitinori , Prudent Julien , Chinnery Patrick F.
Published: May 2021

Most humans carry a mixed population of mitochondrial DNA (mtDNA heteroplasmy) affecting ~1–2% of molecules, but rapid percentage shifts occur over one generation leading to severe mitochondrial diseases. A decrease in the amount of mtDNA within the developing female germ line appears to play a role, but other sub-cellular mechanisms have been implicated. Establishing an in vitro model of early mammalian germ cell development from embryonic stem cells, here we show that the reduction of mtDNA content is modulated by oxygen and reaches a nadir immediately before germ cell specification. The observed genetic bottleneck was accompanied by a decrease in mtDNA replicating foci and the segregation of heteroplasmy, which were both abolished at higher oxygen levels. Thus, differences in oxygen tension occurring during early development likely modulate the amount of mtDNA, facilitating mtDNA segregation and contributing to tissue-specific mutation loads.
Time-resolved spectroscopic and electrophysiological data reveal insights in the gating mechanism of anion channelrhodopsin
Authors: Dreier Max-Aylmer , Althoff Philipp , Norahan Mohamad Javad , Tennigkeit Stefan Alexander , El-Mashtoly Samir F. , Lübben Mathias , Kötting Carsten , Rudack Till , Gerwert Klaus
Published: May 2021

Channelrhodopsins are widely used in optogenetic applications. High photocurrents and low current inactivation levels are desirable. Two parallel photocycles evoked by different retinal conformations cause cation-conducting channelrhodopsin-2 (CrChR2) inactivation: one with efficient conductivity; one with low conductivity. Given the longer half-life of the low conducting photocycle intermediates, which accumulate under continuous illumination, resulting in a largely reduced photocurrent. Here, we demonstrate that for channelrhodopsin-1 of the cryptophyte Guillardia theta (GtACR1), the highly conducting C = N-anti-photocycle was the sole operating cycle using time-resolved step-scan FTIR spectroscopy. The correlation between our spectroscopic measurements and previously reported electrophysiological data provides insights into molecular gating mechanisms and their role in the characteristic high photocurrents. The mechanistic importance of the central constriction site amino acid Glu-68 is also shown. We propose that canceling out the poorly conducting photocycle avoids the inactivation observed in CrChR2, and anticipate that this discovery will advance the development of optimized optogenetic tools.
A live imaging system to analyze spatiotemporal dynamics of RNA polymerase II modification in Arabidopsis thaliana
Authors: Shibuta Mio K. , Sakamoto Takuya , Yamaoka Tamako , Yoshikawa Mayu , Kasamatsu Shusuke , Yagi Noriyoshi , Fujimoto Satoru , Suzuki Takamasa , Uchino Satoshi , Sato Yuko , Kimura Hiroshi , Matsunaga Sachihiro
Published: May 2021

Spatiotemporal changes in general transcription levels play a vital role in the dynamic regulation of various critical activities. Phosphorylation levels at Ser2 in heptad repeats within the C-terminal domain of RNA polymerase II, representing the elongation form, is an indicator of transcription. However, rapid transcriptional changes during tissue development and cellular phenomena are difficult to capture in living organisms. We introduced a genetically encoded system termed modification-specific intracellular antibody (mintbody) into Arabidopsis thaliana. We developed a protein processing- and 2A peptide-mediated two-component system for real-time quantitative measurement of endogenous modification level. This system enables quantitative tracking of the spatiotemporal dynamics of transcription. Using this method, we observed that the transcription level varies among tissues in the root and changes dynamically during the mitotic phase. The approach is effective for achieving live visualization of the transcription level in a single cell and facilitates an improved understanding of spatiotemporal transcription dynamics.
A native conjugative plasmid confers potential selective advantages to plant growth-promoting Bacillus velezensis strain GH1-13
Authors: Choi Yunhee , Pham Ha , Nguyen Mai Phuong , Tran Le Viet Ha , Kim Jueun , Kim Songhwa , Lee Chul Won , Song Jaekyeong , Kim Yong-Hak
Published: May 2021

The conjugative plasmid (pBV71) possibly confers a selective advantage to Bacillus velezensis strain GH1-13, although a selective marker gene is yet to be identified. Here we show that few non-mucoid wild-type GH1-13 cells are spontaneously converted to mucoid variants with or without the loss of pBV71. Mucoid phenotypes, which contain or lack the plasmid, become sensitive to bacitracin, gramicidin, selenite, and tellurite. Using the differences in antibiotic resistance and phenotype, we isolated a reverse complement (COM) and a transconjugant of strain FZB42 with the native pBV71. Transformed COM and FZB42p cells were similar to the wild-type strain GH1-13 with high antibiotic resistance and slow growth rates on lactose compared to those of mucoid phenotypes. RT-PCR analysis revealed that the expression of plasmid-encoded orphan aspartate phosphatase (pRapD) was coordinated with a new quorum-sensing (QS) cassette of RapF2–PhrF2 present in the chromosome of strain GH1-13, but not in strain FZB42. Multi-omics analysis on wild-type and plasmid-cured cells of strain GH1-13 suggested that the conjugative plasmid expression has a crucial role in induction of early envelope stress response that promotes cell morphogenesis, biofilm formation, catabolite repression, and biosynthesis of extracellular-matrix components and antibiotics for protection of host cell during exponential phase.
Specification of oxytocinergic and vasopressinergic circuits in the developing mouse brain
Authors: Madrigal María Pilar , Jurado Sandra
Published: May 2021

Oxytocin (OXT) and arginine vasopressin (AVP) support a broad range of behaviors and homeostatic functions including sex-specific and context-appropriate social behaviors. Although the alterations of these systems have been linked with social-related disorders such as autism spectrum disorder, their formation and developmental dynamics remain largely unknown. Using novel brain clearing techniques and 3D imaging, we have reconstructed the specification of oxytocinergic and vasopressinergic circuits in the developing mouse brain with unprecedented cellular resolution. A systematic quantification indicates that OXT and AVP neurons in the hypothalamus display distinctive developmental dynamics and high cellular plasticity from embryonic to early postnatal stages. Our findings reveal new insights into the specification and consolidation of neuropeptidergic systems in the developing CNS.
PD-L2 suppresses T cell signaling via coinhibitory microcluster formation and SHP2 phosphatase recruitment
Authors: Takehara Tomohiro , Wakamatsu Ei , Machiyama Hiroaki , Nishi Wataru , Emoto Katsura , Azuma Miyuki , Soejima Kenzo , Fukunaga Koichi , Yokosuka Tadashi
Published: May 2021

The coinhibitory receptor, PD-1, is of major importance for the suppression of T cell activation in various types of immune responses. A high-resolution imaging study showed that PD-1 forms a coinhibitory signalosome, “PD-1 microcluster”, with the phosphatase, SHP2, to dephosphorylate the TCR/CD3 complex and its downstream signaling molecules. Such a consecutive reaction entirely depended on PD-1–PD-L1/2 binding. PD-L2 is expressed on professional antigen-presenting cells and also on some tumor cells, which possibly explains the discrepant efficacy of immune checkpoint therapy for PD-L1-negative tumors. Here, we performed precise imaging analysis of PD-L2 forming PD-1–PD-L2 clusters associating with SHP2. PD-L2 could compete with PD-L1 for binding to PD-1, occupying the same space at TCR microclusters. The PD-1 microcluster formation was inhibited by certain mAbs with functional consequences. Thus, PD-1 microcluster formation provides a visible index for the effectiveness of anti-PD-1- or anti-PD-L1/2-mediated T cell suppression. PD-L2 may exert immune suppressive responses cooperatively with PD-L1 on the microcluster scale.
Functionalized Au15 nanoclusters as luminescent probes for protein carbonylation detection
Authors: Combes Guillaume F. , Fakhouri Hussein , Moulin Christophe , Girod Marion , Bertorelle Franck , Basu Srestha , Ladouce Romain , Bakulić Martina Perić , Maršić Željka Sanader , Russier-Antoine Isabelle , Brevet Pierre-François , Dugourd Philippe , Krisko Anita , Trajković Katarina , Radman Miroslav , Bonačić-Koutecký Vlasta , Antoine Rodolphe
Published: May 2021

Atomically precise, ligand-protected gold nanoclusters (AuNCs) attract considerable attention as contrast agents in the biosensing field. However, the control of their optical properties and functionalization of surface ligands remain challenging. Here we report a strategy to tailor AuNCs for the precise detection of protein carbonylation—a causal biomarker of ageing. We produce Au15SG13 (SG for glutathione) with atomic precision and functionalize it with a thiolated aminooxy moiety to impart protein carbonyl-binding properties. Mass spectrometry and molecular modelling reveal the key structural features of Au15SG12-Aminooxy and its reactivity towards carbonyls. Finally, we demonstrate that Au15SG12-Aminooxy detects protein carbonylation in gel-based 1D electrophoresis by one- and two-photon excited fluorescence. Importantly, to our knowledge, this is the first application of an AuNC that detects a post-translational modification as a nonlinear optical probe. The significance of post-translational modifications in life sciences may open avenues for the use of Au15SG13 and other nanoclusters as contrast agents with tailored surface functionalization and optical properties.
1D charge density wave in the hidden order state of URu2Si2
Authors: Herrera Edwin , Barrena Víctor , Guillamón Isabel , Galvis José Augusto , Herrera William J. , Castilla José , Aoki Dai , Flouquet Jacques , Suderow Hermann
Published: May 2021

Single crystals of URu2Si2 show below 17.5 K a transition into an ordered state with a significantly reduced entropy. The low temperature phase is called the hidden order (HO) state, because its microscopic origin is still unknown—there are no charge, structural or magnetic transitions associated to HO. Here we report a one-dimensional (1D) charge modulation within the HO state of URu2Si2. We perform detailed Scanning Tunneling Microscopy (STM) experiments with high resolution on many atomically flat surfaces of URu2Si2 obtained by fracturing single crystals at cryogenic temperatures and find a 1D charge density wave with a large wavevector. We show that the 1D modulation is connected to the dynamical magnetic excitations of the HO through a moiré construction and appears as a consequence of excitations quenched through the interaction between the travelling fracture front and the dynamic modes of the crystal. The combination of fracture dynamics and the dynamics of the solid provides a method to create ground states and shows that charge interactions are among the most relevant features competing with HO in URu2Si2.
Chemical transport models often underestimate inorganic aerosol acidity in remote regions of the atmosphere
Authors: Nault Benjamin A. , Campuzano-Jost Pedro , Day Douglas A. , Jo Duseong S. , Schroder Jason C. , Allen Hannah M. , Bahreini Roya , Bian Huisheng , Blake Donald R. , Chin Mian , Clegg Simon L. , Colarco Peter R. , Crounse John D. , Cubison Michael J. , DeCarlo Peter F. , Dibb Jack E. , Diskin Glenn S. , Hodzic Alma , Hu Weiwei , Katich Joseph M. , Kim Michelle J. , Kodros John K. , Kupc Agnieszka , Lopez-Hilfiker Felipe D. , Marais Eloise A. , Middlebrook Ann M. , Andrew Neuman J. , Nowak John B. , Palm Brett B. , Paulot Fabien , Pierce Jeffrey R. , Schill Gregory P. , Scheuer Eric , Thornton Joel A. , Tsigaridis Kostas , Wennberg Paul O. , Williamson Christina J. , Jimenez Jose L.
Published: May 2021

The inorganic fraction of fine particles affects numerous physicochemical processes in the atmosphere. However, there is large uncertainty in its burden and composition due to limited global measurements. Here, we present observations from eleven different aircraft campaigns from around the globe and investigate how aerosol pH and ammonium balance change from polluted to remote regions, such as over the oceans. Both parameters show increasing acidity with remoteness, at all altitudes, with pH decreasing from about 3 to about −1 and ammonium balance decreasing from almost 1 to nearly 0. We compare these observations against nine widely used chemical transport models and find that the simulations show more scatter (generally R2 < 0.50) and typically predict less acidic aerosol in the most remote regions. These differences in observations and predictions are likely to result in underestimating the model-predicted direct radiative cooling effect for sulfate, nitrate, and ammonium aerosol by 15–39%.
Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units
Authors: Yu Yanan , Wang Zhao , Li Ziping , Hang Xinxin , Bi Yanfeng
Published: May 2021

An adenine-modified Co4-thiacalix[4]arene unit can serve as a second building unit for fabrication of three Co14 clusters with different structures.
Durability and activity of Co2YZ (Y = Mn or Fe, Z = Ga or Ge) Heusler alloy catalysts for dehydrogenation of 2-propanol
Authors: Kojima Takayuki , Koganezaki Takuya , Fujii Shinpei , Kameoka Satoshi , Tsai An-Pang
Published: May 2021

Using dehydrogenation of 2-propanol as a test reaction for Heusler alloy catalysts, durability against oxidation and a relationship between activity and electronic structures were revealed.
The role of metal substitutions in the development of Li batteries, part I: cathodes
Authors: Hebert Alex , McCalla Eric
Published: May 2021

A vast array of metal substitutions into known structures have served a pivotal role in developing Li-ion cathodes. The substitutions impact multiple important metrics, the challenge being to simultaneously optimize all metrics for given applications.
Properties of polyplexes formed between a cationic polymer derived froml-arabinitol and nucleic acids
Authors: Pérez-Alfonso David , López-López Manuel , López-Cornejo Pilar , Romero-Azogil Lucía , Benito Elena , García-Martín María de Gracia , García-Calderón Clara B. , Rosado Iván V. , Balestra Fernando R. , Huertas Pablo , García-Calderón Margarita , Moyá María Luisa
Published: May 2021

Polyplexes formed between a cationic polymer, PUArab, and both linear and plasmid DNA were studied. The transfection efficiency of PURarab/pDNA was investigated.
One-pot synthesis of cyclohexylamine and N-aryl pyrroles via hydrogenation of nitroarenes over the Pd0.5Ru0.5-PVP catalyst
Authors: Chaudhari Chandan , Sato Katsutoshi , Ikeda Yasuyuki , Terada Kenji , Abe Naoya , Nagaoka Katsutoshi
Published: May 2021

The direct synthesis of cyclohexylamine via hydrogenation of nitrobenzene over monometallic (Pd, Ru or Rh) and bimetallic (PdxRu1−x) catalysts was studied.
A size-selective method for increasing the performance of Pt supported on tungstated zirconia catalysts for alkane isomerization: a combined experimental and theoretical DFT study
Authors: Vera-Iturriaga J. , Madrigal-Carrillo K. G. , Hernández-Pichardo M. L. , Rodríguez Juan I. , Jiménez-Izal E. , Montoya de la Fuente J. A.
Published: May 2021

A high-octane number blend was obtained with Pt/WO3–ZrO2 catalysts, synthesized by an easy alkoxide-free method for the cluster size control.
Hydrodeoxygenation of lignin derived phenolics over a hydrous ruthenium oxide based catalyst(s): role of surface water molecules and acidity of the support
Authors: Kumar Adarsh , Thallada Bhaskar
Published: May 2021

HRO@Y has been designed for selective HDO of lignin-derived phenols in aqueous phase and it has showed robust activity and selectivity towards cyclohexanols. This offers new possibility for the production of industrially important building blocks sustainably.
Early Observation of Red Flags in 12-Month-Old Infant Siblings Later Diagnosed With Autism Spectrum Disorder
Authors: Pileggi Moira L. , Brane Natalie , Bradshaw Jessica , Delehanty Abigail , Day Taylor , McCracken Courtney , Stapel-Wax Jennifer , Wetherby Amy M.
Published: May 2021

Purpose

Valid and reliable screening tools are needed to improve early detection and optimize developmental outcomes for toddlers at risk for autism spectrum disorder (ASD). The current study aimed to evaluate the utility of the Systematic Observation of Red Flags (SORF) for ASD at 12 months of age in a sample of high-risk infant siblings of children with ASD.

Method

As part of a prospective, longitudinal study, we examined the sensitivity and specificity of the SORF at 12 months for predicting a diagnosis of ASD at 24 months in a sample of 122 infants, 31 of whom were diagnosed with ASD.

Results

The optimal SORF Composite cutoff score of 18 correctly identified 24 of the 31 twelve-month-olds who were diagnosed with ASD, yielding a sensitivity of .77 and a specificity of .76. The optimal SORF Red Flags cutoff score of 7 correctly identified 20 of the 31 infants, yielding a sensitivity of .65 and a specificity of .75.

Conclusion

This preliminary study demonstrates the potential of the SORF as an effective observational screening measure for 12-month-olds at risk for ASD with good discrimination, sensitivity, and specificity.
Multifrequency high spectral resolution observations of HCN toward the circumstellar envelope of Y Canum Venaticorum
Authors: Fonfría J. P. , Montiel E. J. , Cernicharo J. , DeWitt C. N. , Richter M. J. , Lacy J. H. , Greathouse T. K. , Santander-García M. , Agúndez M. , Massalkhi S.
Published: May 2021

High spectral resolution observations toward the low mass-loss rate C-rich, J-type asymptotic giant branch (AGB) star Y CVn were carried out at 7.5, 13.1, and 14.0 μm with the Echelon-cross-echelle Spectrograph mounted on the Stratospheric Observatory for Infrared Astronomy and the Texas Echelon-cross-echelle Spectrograph on the Infrared Telescope Facility. Around 130 HCN and H13CN lines of bandsν2, 2ν2, 2ν2−ν2, 3ν2− 2ν2, 3ν2−ν2, and 4ν2− 2ν2were identified involving lower levels with energies up to ≃3900 K. These lines were complemented with the pure rotational linesJ= 1−0 and 3–2 of the vibrational states up to 2ν2acquired with the Institut de Radioastronomie Millimétrique 30 m telescope, and with the continuum taken with Infrared Space Observatory. We analyzed the data in detail by means of a ro-vibrational diagram and with a code written to model the absorption and emission of the circumstellar envelope of an AGB star. The continuum is mostly produced by the star with a small contribution from dust grains comprising warm to hot SiC and cold amorphous carbon. The HCN abundance distribution seems to be anisotropic close to Y CVn and in the outer layers of its envelope. The ejected gas is accelerated up to the terminal velocity (≃8 km s−1) from the photosphere to ≃3R⋆, but there is evidence of higher velocities (≳9–10 km s−1) beyond this region. In the vicinity of the star, the line widths are as high as ≃10 km s−1, which implies a maximum turbulent velocity of 6 km s−1or the existence of other physical mechanisms probably related to matter ejection that involve higher gas expansion velocities than expected. HCN is rotationally and vibrationally out of local thermodynamic equilibrium throughout the whole envelope. It is surprising that a difference of about 1500 K in the rotational temperature at the photosphere is needed to explain the observations at 7.5 and 13–14 μm. Our analysis finds a total HCN column density that ranges from ≃2.1 × 1018to 3.5 × 1018cm−2, an abundance with respect to H2of 3.5 × 10−5to 1.3 × 10−4, and a12C/13C isotopic ratio of ≃2.5 throughout the whole envelope.
Behandlung von Tendinopathien mit Akupunktur aus Sicht der Chinesischen Medizin
Authors: Kirchhoff Stefan
Published: May 2021

Tendinopathien können mit Akupunktur unter Anwendung von lediglich auf die betroffene anatomische Struktur und Region ausgerichteten Standardkombinationen behandelt werden. Allerdings bietet die Chinesische Medizin ein reichhaltiges Spektrum an Konzepten, um nach einer traditionellen Differenzialdiagnostik hoch individualisiert zu therapieren. Die biomedizinische Diagnose ist dann zwar Grundvoraussetzung für eine Behandlung, aber nicht maßgeblich für die Therapiestrategie oder die Punktauswahl. Hilfreiche Konzepte hierfür sind die Tendinomuskulären Leitbahnen und das auf das Konzept der pathogenen Faktoren fokussierte Bi-Syndrom.
How to Assess Proximal Femoral Shortening after Nailing of Proximal Femoral Fractures? A Short Review
Authors: Khalifa Ahmed A. , Khaled Mohammed , El-Hawary Ahmed S. , Ahmed Ahmed M.
Published: May 2021

Proximal femoral fractures (PFFs) are considered one of the most frequent situations faced by orthopaedic surgeons. Many lines of management had been described. Although management of PFFs with cephalomedullary nails (CMNs) is now considered the gold standard with many mechanical and biological advantages, this technique may have some disadvantages such as residual peritrochanteric pain, limping, limited walking distance, and difficulty with stairs. These complications may be attributed to fracture malreduction with shortening, which may result in either malunion or nonunion and ultimately implant failure. The resultant proximal femoral shortening (PFS) with alteration of the proximal femoral mechanics may affect both the hip abductor function and the daily patient activities. The purpose of this short review is to discuss the assessment and secondary effects of PFS after treating femoral fractures with CMNs.
Public attitudes towards algorithmic personalization and use of personal data online: evidence from Germany, Great Britain, and the United States
Authors: Kozyreva Anastasia , Lorenz-Spreen Philipp , Hertwig Ralph , Lewandowsky Stephan , Herzog Stefan M.
Published: May 2021

People rely on data-driven AI technologies nearly every time they go online, whether they are shopping, scrolling through news feeds, or looking for entertainment. Yet despite their ubiquity, personalization algorithms and the associated large-scale collection of personal data have largely escaped public scrutiny. Policy makers who wish to introduce regulations that respect people’s attitudes towards privacy and algorithmic personalization on the Internet would greatly benefit from knowing how people perceive personalization and personal data collection. To contribute to an empirical foundation for this knowledge, we surveyed public attitudes towards key aspects of algorithmic personalization and people’s data privacy concerns and behavior using representative online samples in Germany (N = 1065), Great Britain (N = 1092), and the United States (N = 1059). Our findings show that people object to the collection and use of sensitive personal information and to the personalization of political campaigning and, in Germany and Great Britain, to the personalization of news sources. Encouragingly, attitudes are independent of political preferences: People across the political spectrum share the same concerns about their data privacy and show similar levels of acceptance regarding personalized digital services and the use of private data for personalization. We also found an acceptability gap: People are more accepting of personalized services than of the collection of personal data and information required for these services. A large majority of respondents rated, on average, personalized services as more acceptable than the collection of personal information or data. The acceptability gap can be observed at both the aggregate and the individual level. Across countries, between 64% and 75% of respondents showed an acceptability gap. Our findings suggest a need for transparent algorithmic personalization that minimizes use of personal data, respects people’s preferences on personalization, is easy to adjust, and does not extend to political advertising.
Study on combustion and micro-explosion characteristics of biodiesel and ethanol mixture droplets under different oxygen concentrations and temperatures
Authors: Meng Kesheng , Han Kai , Li Fengyu , Bao Lin , Wang Chengjun , Lin Qizhao
Published: May 2021

An experimental platform for measuring droplet combustion and micro-explosion characteristics based on a tube furnace was established. Through this experimental platform, the BD60E40 droplets involving a mixture of 60 vol. % biodiesel and 40 vol. % ethanol was tested. Instantaneous gray images were obtained by means of high-speed photography during the BD60E40 droplets heating or combustion cycle. The expansion, ejection, micro-explosion, and combustion characteristics of mixed droplets under different temperatures and oxygen concentrations were studied by using the platform. The study found that the BD60E40 droplets produced high intensity primary and secondary micro-explosions when the oxygen concentration in the tube furnace was 0% and 30%. However, when the oxygen concentration was 50%, the BD60E40 droplet showed a weak micro-explosion phenomenon. The temperature was an important condition for the occurrence of micro-explosions. The BD60E40 droplet was not subject to micro-explosions during heating under 300 °C ambient temperature, but the micro-explosion occurred under 400 and 500 °C. According to the different experimental phenomena, the equation for calculating the micro-explosion intensity was established and the micro-explosion intensity of BD60E40 droplets under different oxygen concentration was calculated, and the reason for the different micro-explosion behavior of BD60E40 droplets under different oxygen concentration was established.
Influence of flexoelectric effects on domain switching in ferroelectric films
Authors: Zou M. J. , Tang Y. L. , Feng Y. P. , Geng W. R. , Ma X. L. , Zhu Y. L.
Published: May 2021

Flexoelectricity has been shown to be an effective strategy to modulate the polarization configurations, domain structures, and physical properties in nanoscale ferroelectric thin films. However, the relations between the domain switching processes and flexoelectric effects remain elusive, which is essential for the design of nanoscale ferroelectric electric devices. In this work, strain-gradient and normal PbTiO3 films are fabricated and investigated to resolve this elusive relationship. By using large-scale and local piezoelectric force microscopy characterization, the ferroelectric domain switching in strain-gradient PbTiO3 films is found to be hard and hindered under applied electric fields compared with the normal ones. Successive atomic-scale scanning transmission electron microscopy imaging analysis manifests that the domains in the strain-gradient PbTiO3 films are stabilized by an additional effective strain gradient-induced flexoelectric field, which was introduced by negative pressure originated from vertically distributed Pb-rich anti-phase domains. This study proposes an effective method to stabilize the ferroelectric polarization in nanoscale ferroelectric films, thus facilitate improving the reliability of ferroelectric electronic devices.
Isolating and enhancing single-photon emitters for 1550 nm quantum light sources using double nanohole optical tweezers
Authors: Sharifi Zohreh , Dobinson Michael , Hajisalem Ghazal , Shariatdoust Mirali Seyed , Frencken Adriaan L. , van Veggel Frank C. J. M. , Gordon Reuven
Published: May 2021

Single-photon sources are required for quantum technologies and can be created from individual atoms and atom-like defects. Erbium ions produce single photons at low-loss fiber optic wavelengths, but they have low emission rates, making them challenging to isolate reliably. Here, we tune the size of gold double nanoholes (DNHs) to enhance the emission of single erbium emitters, achieving 50× enhancement over rectangular apertures previously demonstrated. This produces enough enhancement to show emission from single nanocrystals at wavelengths not seen in our previous work, i.e., 400 and 1550 nm. We observe discrete levels of emission for nanocrystals with low numbers of emitters and demonstrate isolating single emitters. We describe how the trapping time is proportional to the enhancement factor for a given DNH structure, giving us an independent way to measure the enhancement. This shows a promising path to achieving single emitter sources at 1550 nm.
Fully redundant auxiliary system for gyrotron-based terahertz sources in long-term operation
Authors: Wang Zhenglei , Zhang Jingwen , Sun Xianfeng , Wang Pengbo , Xiao Houxiu , Ding Tonghai , Xie Jianfeng , Han Xiaotao
Published: May 2021

The Wuhan National High Magnetic Field Center is incorporating the flat-top pulsed magnetic field (FTPMF) into pulse gyrotrons. It will be the first chance to make a pulse-magnet gyrotron available for generating a long-pulse radiation of 100 ms or above without affecting its high operating frequency and high radiation power. However, unlike continuous wave gyrotrons, pulse gyrotrons in long-term operation have their own challenges, namely, misalignment caused by concussions, much stronger low-frequency electromagnetic interference from the pulse magnet, and inevitable explosion. This article will focus on the difficulties faced by pulse gyrotrons in years of operation, discuss the protection and restoration from failures, and, consequently, propose a fully redundant, explosion-proof, and quickly recoverable auxiliary system for long-term operation of pulse gyrotrons. This system integrates the control unit of traditional pulsed magnets and superconducting magnets so that it can be compatible with any form of gyrotron facilities. Therefore, once the FTPMF or the superconducting magnet is available, the long-pulse radiation will be obtained. Several experimental results, including the most recent explosion, show the reliability of the proposed system.
A strategy to improve expert technology forecasts
Authors: Savage Tamara , Davis Alex , Fischhoff Baruch , Morgan M. Granger
Published: May 2021

Forecasts of the future cost and performance of technologies are often used to support decision-making. However, retrospective reviews find that many forecasts made by experts are not very accurate and are often seriously overconfident, with realized values too frequently falling outside of forecasted ranges. Here, we outline a hybrid approach to expert elicitation that we believe might improve forecasts of future technologies. The proposed approach iteratively combines the judgments of technical domain experts with those of experts who are knowledgeable about broader issues of technology adoption and public policy. We motivate the approach with results from a pilot study designed to help forecasters think systematically about factors beyond the technology itself that may shape its future, such as policy, economic, and social factors. Forecasters who received briefings on these topics provided wider forecast intervals than those receiving no assistance.
100-My history of bornavirus infections hidden in vertebrate genomes
Authors: Kawasaki Junna , Kojima Shohei , Mukai Yahiro , Tomonaga Keizo , Horie Masayuki
Published: May 2021

Significance

Many viral diseases have emerged in recent decades, but prehistoric viral infections remain poorly understood. In some cases, nucleotide sequences of ancient viruses, which infected ancestral animals, have been integrated into their genomes during evolution. Such “molecular fossil records” of viruses help researchers trace past viral infections. Here, we reconstructed the infection history of an RNA virus, the bornavirus, for approximately 100 My in vertebrate evolution, using molecular fossils of ancient bornaviruses. Our analyses using ancient bornaviral sequences from over 100 vertebrate species genomes indicated that bornaviruses infected a broader range of host lineages during their long-term evolution than expected from extant bornaviral host ranges. Our findings highlighted the hidden history of this RNA viral infection over geological timescales.
Echinochloa pyramidalis.
Authors: Parker Chris
Published: May 2021

E. pyramidalis, a perennial grass, has decidedly invasive characteristics with its vigorous shoot and rhizome growth and abundant seed production. As an aquatic, it also has the potential to be very damaging to sensitive aquatic habitats. Holm et al. (1979) record it as a major weed in its native area in Nigeria, Swaziland, Sudan and Madagascar. In Guyana, after being introduced and cultivated for some years, it was noticed as a weed in sugar cane in 1982 and increased rapidly to become one of the most troublesome weeds in the aquatic system of the Guyana Sugar Corporation (Bishundial et al., 1997). In Mexico, again after introduction as a fodder grass, it has become widely invasive in wetlands, tending to reduce native wetland species (López Rosas et al., 2010). Apart from its competitive growth, Wells et al. (1986) note its tendency to obstruct water flow. For the USA it is highly ranked as a potential invasive weed of the future (Parker et al., 2007) and it has been identified as a species 'not authorized (for introduction) pending pest risk analysis' (NAPPRA) (USDA-APHIS, 2012).
Hamaspora longissima.
Authors:   USA, USDA-ARS
Published: May 2021

There is little published information on this plant pathogenic fungus, which has limited geographic distribution. As hosts exist in other regions of the world with similar environmental conditions, this species may pose a threat to native or agricultural plants if introduced.