bluuebunny/crossref_metadata_2025 huggingface dataset:
Tracking Subsurface Active Weathering Processes in Serpentinite
Authors: Tominaga Masako , Ortiz Estefania , Einsle Joshua Franz , Ryoichi Vento Noah Francis , Schrenk Matthew O , Buisman Iris , Ezad Isra S. , Cardace Dawn
Published: January 2021

We conducted a novel study to capture the on‐going advancement of mineral weathering within a serpentinite formation by using an integrated approach of multi‐scale quantitative rock magnetic analyses and nano‐resolution geochemical imaging analyses. We studied a suite of rock samples from the Coast Range Ophiolite Microbial Observatory (CROMO) in California to conduct rock magnetic analyses enabling us to determine character of Fe‐bearing minerals and to predict locations of reaction boundaries among various stages of weathering. QEMSCAN® and other electron micro‐imagery analyses highlighted microstructural changes in amorphous minerals, and possible changes in porosity and coincides with the iron‐enrichment region. This iron enrichment indicates initiation of iron (‐oxides) nucleation, resulting in extremely fine gain magnetite formation. This is a newly documented mode of magnetite production in serpentinites and enhances the application of magnetite abundance as a proxy for the degree and extent of water‐rock interaction in mantle peridotite and serpentinite.
Late Afternoon Seasonal Transition to Dissolution in a Coral Reef: An Early Warning of a Net Dissolving Ecosystem?
Authors: Stoltenberg Laura , Schulz Kai G. , Lantz Coulson A. , Cyronak Tyler , Eyre Bradley D.
Published: January 2021

There are concerns that reefs will transition from net calcifying to net dissolving in the near future due to decreasing calcification and increasing dissolution rates. Here, we present in situ rates of net ecosystem calcification (NEC) and net ecosystem production (NEP) on a coral reef flat using a slack‐water approach. Up until dusk, the reef was net calcifying in most months but shifted to net dissolution in austral summer, coinciding with high respiration rates and a lower aragonite saturation state (Ωarag). The estimated sediment contribution to NEC ranged from 8% to 21% during the day and 45% to 78% at night, indicating that high rates of sediment dissolution may cause the transition to reef dissolution. This late afternoon seasonal transition to negative NEC may be an early warning sign of the reef shifting to a net dissolving state and may be occurring on other reefs.
Recurrent Rossby Wave Packets Modulate the Persistence of Dry and Wet Spells Across the Globe
Authors: Ali S. Mubashshir , Martius Olivia , Röthlisberger Matthias
Published: January 2021

Persistent dry and wet spells can arise from stationary weather situations or recurrent flow patterns and result in significant socio‐economic impacts. Here, we study the effects of recurrent synoptic‐scale transient Rossby wave packets (RRWPs) on the persistence of dry and wet spells using the ERA‐Interim reanalysis data. RRWPs significantly alter (decrease and increase) dry and wet spell persistence across the globe. Spatial patterns of statistically significant links between RRWPs and spell durations arise from the superposition of a zonally symmetric component and a wave‐like component that is modulated by local factors such as orography and the position relative to major moisture sources. The zonally symmetric component is apparent during the Northern Hemisphere winter and dominates the Southern Hemisphere signal in winter and summer. The wave‐like component appears primarily in the Northern Hemisphere, changes its wavenumber with the season and is thus, conceivably related to stationary wave dynamics.
Coupled Brittle and Viscous Micromechanisms Produce Semibrittle Flow, Grain‐Boundary Sliding, and Anelasticity in Salt‐Rock
Authors: Ding J. , Chester F. M. , Chester J. S. , Shen X. , Arson C.
Published: January 2021

The operation of fracture, diffusion, and intracrystalline‐plastic micromechanisms during semibrittle deformation of rock is directly relevant to understanding mechanical behavior across the brittle‐plastic transition in the crust. An outstanding question is whether (1) the micromechanisms of semibrittle flow can be considered to operate independently, as represented in typical crustal strength profiles across the brittle to plastic transition, or (2) the micromechanisms are coupled such that the transition is represented by a distinct rheology with dependency on effective pressure, temperature, and strain rate. We employ triaxial stress‐cycling experiments to investigate elastic‐plastic and viscoelastic behaviors during semibrittle flow in two distinctly different monomineralic, polycrystalline, synthetic salt‐rocks. During semibrittle flow at high differential stress, granular, low‐porosity, work‐hardened salt‐rocks deform predominantly by grain‐boundary sliding and wing‐crack opening accompanied by minor intragranular dislocation glide. In contrast, fully annealed, near‐zero porosity salt‐rocks flow at lower differential stress by intragranular dislocation glide accompanied by grain‐boundary sliding and opening. Grain‐boundary sliding is frictional during semibrittle flow at higher strain rates, but the associated dispersal of water from fluid inclusions along boundaries can activate fluid‐assisted diffusional sliding at lower strain rates. Changes in elastic properties with semibrittle flow largely reflect activation of sliding along closed grain boundaries. Observed microstructures, pronounced hysteresis and anelasticity during cyclic stressing after semibrittle flow, and stress relaxation behaviors indicate coupled operation of micromechanisms leading to a distinct rheology (hypothesis 2 above).
Aerosol Direct Radiative Effects at the ARM SGP and TWP Sites: Clear Skies
Authors: Wu Xiaolin , Balmes Kelly A. , Fu Qiang
Published: January 2021

The clear‐sky aerosol direct radiative effect (DRE) was estimated at the Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) and Tropical Western Pacific (TWP) sites. The NASA Langley Fu‐Liou radiation model was used with observed inputs including aerosol vertical extinction profile from the Raman lidar; spectral aerosol optical depth (AOD), single‐scattering albedo and asymmetry factor from Aerosol Robotic Network; temperature and water vapor profiles from radiosondes; and surface shortwave (SW) spectral albedo from radiometers. A radiative closure experiment was conducted for clear‐sky conditions. The mean differences of modeled and observed surface downwelling SW total fluxes were 1 W m−2 at SGP and 2 W m−2 at TWP, which are within observational uncertainty. At SGP, the estimated annual mean clear‐sky aerosol DRE is −3.00 W m−2 at the top of atmosphere (TOA) and −6.85 W m−2 at the surface. The strongest aerosol DRE of −4.81 (−10.77) W m−2 at the TOA (surface) are in the summer when AODs are largest. The weakest aerosol DRE of −1.28 (−2.77) W m−2 at the TOA (surface) are in November–January when AODs and single‐scattering albedos are lowest. At TWP, the annual mean clear‐sky DRE is −2.82 W m−2 at the TOA and −10.34 W m−2 at the surface. The strongest aerosol DRE of −5.95 (−22.20) W m−2 at the TOA (surface) are in November (October) due to the biomass burning season’s peak. The weakest aerosol DRE of −0.96 (−4.16) W m−2 at the TOA (surface) are in March (April) when AODs are smallest.
Role of Future Reef Growth on Morphological Response of Coral Reef Islands to Sea‐Level Rise
Authors: Masselink G. , McCall R. , Beetham E. , Kench P. , Storlazzi C.
Published: January 2021

Coral reefs are widely recognized for providing a natural breakwater effect that modulates erosion and flooding hazards on low‐lying sedimentary reef islands. Increased water depth across reef platforms due sea‐level rise (SLR) can compromise this breakwater effect and enhance island exposure to these hazards, but reef accretion in response to SLR may positively contribute to island resilience. Morphodynamic studies suggest that reef islands can adjust to SLR by maintaining freeboard (island crest elevation above still water level) through overwash deposition and island accretion, but the impact of different future reef accretion trajectories on the morphological response of islands remains unknown. Here we show, using a process‐based morphodynamic model, that, although reef growth significantly affects wave transformation processes and island morphology, it does not lead to decreased coastal flooding and island inundation. According to the model, reef islands evolve during SLR by attuning their elevation to the maximum wave runup and islands fronted by a growing reef platform attain lower elevations than those without reef growth, but have similar overwash regimes. The mean overwash discharge Qover across the island crest plays a key role in the ability of islands to keep up with SLR and maintain freeboard, with a Qover value of O (10 l m−1 s−1) separating island construction from destruction. Islands, therefore, can grow vertically to keep up with SLR via flooding and overwash if specific forcing and sediment supply conditions are met, offering hope for uninhabited and sparely populated islands. However, this physical island response will negatively impact infrastructure and assets on developed islands.
On Wind‐Driven Energetics of Subtropical Gyres
Authors: Jamet Q. , Deremble B. , Wienders N. , Uchida T. , Dewar W. K.
Published: January 2021

The flow of energy in the wind‐driven circulation is examined in a combined theoretical and numerical study. Based on a multiple‐scale analysis, we find the mesoscale field in the ocean interior is strongly affected by, but does not feed back onto, the ventilated thermocline. In the western boundary region, the associated currents first appear as coastal jets, conserving mean energy, and later as separated jet extensions where the mesoscale is energized by the mean field. It is in the separated jet zone where the primary loss of general circulation energy to the mesoscale occurs. These ideas are tested by an analysis of a regional 1/12° primitive equation numerical model of the North Atlantic. The predictions of the theory are generally supported by the numerical results. The one exception is that topographic irregularities in the coastal jet spawn eddies, although these eddies contribute modestly to the energy budget. We therefore conclude the primary sink of wind input into the mean circulation is in the separated jet, and not the interior. The analysis also shows wind energy input to be much smaller than the interior energy fluxes; thus, the general circulation largely recirculates energy.
Charting Satellite Courses in a Crowded Thermosphere
Authors: Bruinsma Sean , Fedrizzi Mariangel , Yue Jia , Siemes Christian , Lemmens Stijn
Published: January 2021

As the number of satellites in low Earth orbit grows by leaps and bounds, accurate calculations of the effects of atmospheric drag on their trajectories are becoming critically important.
Interplay between cofactors and transcription factors in hematopoiesis and hematological malignancies
Authors: Wang Zi , Wang Pan , Li Yanan , Peng Hongling , Zhu Yu , Mohandas Narla , Liu Jing
Published: January 2021

Hematopoiesis requires finely tuned regulation of gene expression at each stage of development. The regulation of gene transcription involves not only individual transcription factors (TFs) but also transcription complexes (TCs) composed of transcription factor(s) and multisubunit cofactors. In their normal compositions, TCs orchestrate lineage-specific patterns of gene expression and ensure the production of the correct proportions of individual cell lineages during hematopoiesis. The integration of posttranslational and conformational modifications in the chromatin landscape, nucleosomes, histones and interacting components via the cofactor–TF interplay is critical to optimal TF activity. Mutations or translocations of cofactor genes are expected to alter cofactor–TF interactions, which may be causative for the pathogenesis of various hematologic disorders. Blocking TF oncogenic activity in hematologic disorders through targeting cofactors in aberrant complexes has been an exciting therapeutic strategy. In this review, we summarize the current knowledge regarding the models and functions of cofactor–TF interplay in physiological hematopoiesis and highlight their implications in the etiology of hematological malignancies. This review presents a deep insight into the physiological and pathological implications of transcription machinery in the blood system.
Study of influence of the glutamatergic concentration of [18F]FPEB binding to metabotropic glutamate receptor subtype 5 with N-acetylcysteine challenge in rats and SRM/PET study in human healthy volunteers
Authors: Dupont Anne-Claire , Serrière Sophie , Barantin Laurent , Vercouillie Johnny , Tauber Clovis , Gissot Valérie , Bodard Sylvie , Chicheri Gabrielle , Chalon Sylvie , Bonnet-Brilhault Pr Frédérique , Santiago-Ribeiro Pr Maria-Joao , Arlicot Nicolas
Published: January 2021

Altered glutamate signaling is thought to be involved in a myriad of psychiatric disorders. Positron emission tomography (PET) imaging with [18F]FPEB allows assessing dynamic changes in metabotropic glutamate receptor 5 (mGluR5) availability underlying neuropathological conditions. The influence of endogenous glutamatergic levels into receptor binding has not been well established yet. The purpose of this study was to explore the [18F]FPEB binding regarding to physiological fluctuations or acute changes of glutamate synaptic concentrations by a translational approach; a PET/MRS imaging study in 12 healthy human volunteers combined to a PET imaging after an N-acetylcysteine (NAc) pharmacological challenge in rodents. No significant differences were observed with small-animal PET in the test and retest conditions on the one hand and the NAc condition on the other hand for any regions. To test for an interaction of mGuR5 density and glutamatergic concentrations in healthy subjects, we correlated the [18F]FPEB BPND with Glu/Cr, Gln/Cr, Glx/Cr ratios in the anterior cingulate cortex VOI; respectively, no significance correlation has been revealed (Glu/Cr: r = 0.51, p = 0.09; Gln/Cr: r = −0.46, p = 0.13; Glx/Cr: r = −0.035, p = 0.92).These data suggest that the in vivo binding of [18F]FPEB to an allosteric site of the mGluR5 is not modulated by endogenous glutamate in vivo. Thus, [18F]FPEB appears unable to measure acute fluctuations in endogenous levels of glutamate.
Accelerating functional gene discovery in osteoarthritis
Authors: Butterfield Natalie C. , Curry Katherine F. , Steinberg Julia , Dewhurst Hannah , Komla-Ebri Davide , Mannan Naila S. , Adoum Anne-Tounsia , Leitch Victoria D. , Logan John G. , Waung Julian A. , Ghirardello Elena , Southam Lorraine , Youlten Scott E. , Wilkinson J. Mark , McAninch Elizabeth A. , Vancollie Valerie E. , Kussy Fiona , White Jacqueline K. , Lelliott Christopher J. , Adams David J. , Jacques Richard , Bianco Antonio C. , Boyde Alan , Zeggini Eleftheria , Croucher Peter I. , Williams Graham R. , Bassett J. H. Duncan
Published: January 2021

Osteoarthritis causes debilitating pain and disability, resulting in a considerable socioeconomic burden, yet no drugs are available that prevent disease onset or progression. Here, we develop, validate and use rapid-throughput imaging techniques to identify abnormal joint phenotypes in randomly selected mutant mice generated by the International Knockout Mouse Consortium. We identify 14 genes with functional involvement in osteoarthritis pathogenesis, including the homeobox genePitx1, and functionally characterize 6 candidate human osteoarthritis genes in mouse models. We demonstrate sensitivity of the methods by identifying age-related degenerative joint damage in wild-type mice. Finally, we phenotype previously generated mutant mice with an osteoarthritis-associated polymorphism in theDio2gene byCRISPR/Cas9genome editing and demonstrate a protective role in disease onset with public health implications. We hope this expanding resource of mutant mice will accelerate functional gene discovery in osteoarthritis and offer drug discovery opportunities for this common, incapacitating chronic disease.
UPRmt scales mitochondrial network expansion with protein synthesis via mitochondrial import in Caenorhabditis elegans
Authors: Shpilka Tomer , Du YunGuang , Yang Qiyuan , Melber Andrew , Uma Naresh Nandhitha , Lavelle Joshua , Kim Sookyung , Liu Pengpeng , Weidberg Hilla , Li Rui , Yu Jun , Zhu Lihua Julie , Strittmatter Lara , Haynes Cole M.
Published: January 2021

As organisms develop, individual cells generate mitochondria to fulfill physiological requirements. However, it remains unknown how mitochondrial network expansion is scaled to cell growth. The mitochondrial unfolded protein response (UPRmt) is a signaling pathway mediated by the transcription factor ATFS-1 which harbors a mitochondrial targeting sequence (MTS). Here, using the model organismCaenorhabditis eleganswe demonstrate that ATFS-1 mediates an adaptable mitochondrial network expansion program that is active throughout normal development. Mitochondrial network expansion requires the relatively inefficient MTS in ATFS-1, which allows the transcription factor to be responsive to parameters that impact protein import capacity of the mitochondrial network. Increasing the strength of the ATFS-1 MTS impairs UPRmtactivity by increasing accumulation within mitochondria. Manipulations of TORC1 activity increase or decrease ATFS-1 activity in a manner that correlates with protein synthesis. Lastly, expression of mitochondrial-targeted GFP is sufficient to expand the muscle cell mitochondrial network in an ATFS-1-dependent manner. We propose that mitochondrial network expansion during development is an emergent property of the synthesis of highly expressed mitochondrial proteins that exclude ATFS-1 from mitochondrial import, causing UPRmtactivation.
SOX-5 activates a novel RORγt enhancer to facilitate experimental autoimmune encephalomyelitis by promoting Th17 cell differentiation
Authors: Tian Yi , Han Chao , Wei Zhiyuan , Dong Hui , Shen Xiaohe , Cui Yiqiang , Fu Xiaolan , Tian Zhiqiang , Wang Shufeng , Zhou Jian , Yang Di , Sun Yi , Yuan Jizhao , Ni Bing , Wu Yuzhang
Published: January 2021

T helper type 17 (Th17) cells have important functions in the pathogenesis of inflammatory and autoimmune diseases. Retinoid-related orphan receptor-γt (RORγt) is necessary for Th17 cell differentiation and functions. However, the transcriptional regulation of RORγt expression, especially at the enhancer level, is still poorly understood. Here we identify a novel enhancer of RORγt gene in Th17 cells, RORCE2. RORCE2 deficiency suppresses RORγt expression and Th17 differentiation, leading to reduced severity of experimental autoimmune encephalomyelitis. Mechanistically, RORCE2 is looped to RORγt promoter through SRY-box transcription factor 5 (SOX-5) in Th17 cells, and the loss of SOX-5 binding site in RORCE abolishes RORCE2 function and affects the binding of signal transducer and activator of transcription 3 (STAT3) to the RORγt locus. Taken together, our data highlight a molecular mechanism for the regulation of Th17 differentiation and functions, which may represent a new intervening clue for Th17-related diseases.
Author Correction: Accelerated single cell seeding in relapsed multiple myeloma
Authors: Landau Heather J. , Yellapantula Venkata , Diamond Benjamin T. , Rustad Even H. , Maclachlan Kylee H. , Gundem Gunes , Medina-Martinez Juan , Ossa Juan Arango , Levine Max F. , Zhou Yangyu , Kappagantula Rajya , Baez Priscilla , Attiyeh Marc , Makohon-Moore Alvin , Zhang Lance , Boyle Eileen M. , Ashby Cody , Blaney Patrick , Patel Minal , Zhang Yanming , Dogan Ahmet , Chung David J. , Giralt Sergio , Lahoud Oscar B. , Peled Jonathan U. , Scordo Michael , Shah Gunjan , Hassoun Hani , Korde Neha S. , Lesokhin Alexander M. , Lu Sydney , Mailankody Sham , Shah Urvi , Smith Eric , Hultcrantz Malin L. , Ulaner Gary A. , van Rhee Frits , Morgan Gareth J. , Landgren Ola , Papaemmanuil Elli , Iacobuzio-Donahue Christine , Maura Francesco
Published: January 2021

A Correction to this paper has been published: https://doi.org/10.1038/s41467-021-20978-y.
Sounding out life in the deep using acoustic data from ships of opportunity
Authors: Haris K. , Kloser Rudy J. , Ryan Tim E. , Downie Ryan A. , Keith Gordon , Nau Amy W.
Published: January 2021

Shedding light on the distribution and ecosystem function of mesopelagic communities in the twilight zone (~200–1000 m depth) of global oceans can bridge the gap in estimates of species biomass, trophic linkages, and carbon sequestration role. Ocean basin-scale bioacoustic data from ships of opportunity programs are increasingly improving this situation by providing spatio-temporal calibrated acoustic snapshots of mesopelagic communities that can mutually complement established global ecosystem, carbon, and biogeochemical models. This data descriptor provides an overview of such bioacoustic data from Australia’s Integrated Marine Observing System (IMOS) Ships of Opportunity (SOOP) Bioacoustics sub-Facility. Until 30 September 2020, more than 600,000 km of data from 22 platforms were processed and made available to a publicly accessible Australian Ocean Data Network (AODN) Portal. Approximately 67% of total data holdings were collected by 13 commercial fishing vessels, fostering collaborations between researchers and ocean industry. IMOS Bioacoustics sub-Facility offers the prospect of acquiring new data, improved insights, and delving into new research challenges for investigating status and trend of mesopelagic ecosystems.
High-resolution, large-scale laboratory measurements of a sandy beach and dynamic cobble berm revetment
Authors: Blenkinsopp Chris E. , Bayle Paul M. , Conley Daniel C. , Masselink Gerd , Gulson Emily , Kelly Isabel , Almar Rafael , Turner Ian L. , Baldock Tom E. , Beuzen Tomas , McCall Robert T. , Rijper Huub , Reniers Ad , Troch Peter , Gallach-Sanchez David , Hunter Alan J. , Bryan Oscar , Hennessey Gwyn , Ganderton Peter , Tissier Marion , Kudella Matthias , Schimmels Stefan
Published: January 2021

High quality laboratory measurements of nearshore waves and morphology change at, or near prototype-scale are essential to support new understanding of coastal processes and enable the development and validation of predictive models. The DynaRev experiment was completed at the GWK large wave flume over 8 weeks during 2017 to investigate the response of a sandy beach to water level rise and varying wave conditions with and without a dynamic cobble berm revetment, as well as the resilience of the revetment itself. A large array of instrumentation was used throughout the experiment to capture: (1) wave transformation from intermediate water depths to the runup limit at high spatio-temporal resolution, (2) beach profile change including wave-by-wave changes in the swash zone, (3) detailed hydro and morphodynamic measurements around a developing and a translating sandbar.
Yawn contagion in domestic pigs (Sus scrofa)
Authors: Norscia Ivan , Coco Elisabetta , Robino Carlo , Chierto Elena , Cordoni Giada
Published: January 2021

Contrary to spontaneous yawning—an ancient phenomenon common to vertebrates—contagious yawning (elicited by others’ yawns) has been found only in highly social species and may reflect an emotional inter-individual connection. We investigated yawn contagion in the domestic pig, Sus scrofa. Owing to the complex socio-emotional and cognitive abilities of Sus scrofa, we posited that yawn contagion could be present in this species (Prediction 1) and influenced by individual/social factors (Prediction 2). In June-November 2018, on 104 semi-free ranging adolescent/adult pigs, 224 videos were recorded for video analysis on yawning. Kinship information was refined via genetic analyses. Statistical elaboration was conducted via GLMMs and non-parametric/randomization/cross-tabulation tests. We found yawn contagion in Sus scrofa, as it was more likely that pigs yawned when perceiving rather than not perceiving (yawning/control condition) others’ yawns (response peak in the first out of three minutes). Yawn contagion was more likely: (1) in response to males’ yawns; (2) as the age increased; (3) within short distance (1 m); (4) between full siblings, with no significant association between kinship and distance. The influence of kinship suggests that—as also hypothesized for Homo sapiens—yawn contagion might be linked with emotional communication and possibly contagion.
Excessive salt consumption causes systemic calcium mishandling and worsens microarchitecture and strength of long bones in rats
Authors: Tiyasatkulkovit Wacharaporn , Aksornthong Sirion , Adulyaritthikul Punyanuch , Upanan Pornpailin , Wongdee Kannikar , Aeimlapa Ratchaneevan , Teerapornpuntakit Jarinthorn , Rojviriya Catleya , Panupinthu Nattapon , Charoenphandhu Narattaphol
Published: January 2021

Excessive salt intake has been associated with the development of non-communicable diseases, including hypertension with several cardiovascular consequences. Although the detrimental effects of high salt on the skeleton have been reported, longitudinal assessment of calcium balance together with changes in bone microarchitecture and strength under salt loading has not been fully demonstrated. To address these unanswered issues, male Sprague–Dawley rats were fed normal salt diet (NSD; 0.8% NaCl) or high salt diet (HSD; 8% NaCl) for 5 months. Elevation of blood pressure, cardiac hypertrophy and glomerular deterioration were observed in HSD, thus validating the model. The balance studies were performed to monitor calcium input and output upon HSD challenge. The HSD-induced increase in calcium losses in urine and feces together with reduced fractional calcium absorption led to a decrease in calcium retention. With these calcium imbalances, we therefore examined microstructural changes of long bones of the hind limbs. Using the synchrotron radiation x-ray tomographic microscopy, we showed that trabecular structure of tibia and femur of HSD displayed a marked increase in porosity. Consistently, the volumetric micro-computed tomography also demonstrated a significant decrease in trabecular bone mineral density with expansion of endosteal perimeter in the tibia. Interestingly, bone histomorphometric analyses indicated that salt loading caused an increase in osteoclast number together with decreases in osteoblast number and osteoid volume. This uncoupling process of bone remodeling in HSD might underlie an accelerated bone loss and bone structural changes. In conclusion, long-term excessive salt consumption leads to impairment of skeletal mass and integrity possibly through negative calcium balance.
Identification of 3-chymotrypsin like protease (3CLPro) inhibitors as potential anti-SARS-CoV-2 agents
Authors: Mody Vicky , Ho Joanna , Wills Savannah , Mawri Ahmed , Lawson Latasha , Ebert Maximilian C. C. J. C. , Fortin Guillaume M. , Rayalam Srujana , Taval Shashidharamurthy
Published: January 2021

Emerging outbreak of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) infection is a major threat to public health. The morbidity is increasing due to lack of SARS-CoV-2 specific drugs. Herein, we have identified potential drugs that target the 3-chymotrypsin like protease (3CLpro), the main protease that is pivotal for the replication of SARS-CoV-2. Computational molecular modeling was used to screen 3987 FDA approved drugs, and 47 drugs were selected to study their inhibitory effects on SARS-CoV-2 specific 3CLpro enzyme in vitro. Our results indicate that boceprevir, ombitasvir, paritaprevir, tipranavir, ivermectin, and micafungin exhibited inhibitory effect towards 3CLpro enzymatic activity. The 100 ns molecular dynamics simulation studies showed that ivermectin may require homodimeric form of 3CLpro enzyme for its inhibitory activity. In summary, these molecules could be useful to develop highly specific therapeutically viable drugs to inhibit the SARS-CoV-2 replication either alone or in combination with drugs specific for other SARS-CoV-2 viral targets.
Role of hydroxylation for the atomic structure of a non-polar vicinal zinc oxide
Authors: Grånäs Elin , Busch Michael , Arndt Björn , Creutzburg Marcus , Semione Guilherme Dalla Lana , Gustafson Johan , Schaefer Andreas , Vonk Vedran , Grönbeck Henrik , Stierle Andreas
Published: January 2021

From the catalytic, semiconducting, and optical properties of zinc oxide (ZnO) numerous potential applications emerge. For the physical and chemical properties of the surface, under-coordinated atoms often play an important role, necessitating systematic studies of their influence. Here we study the vicinal ZnO($$10\bar{1}4$$
10

1

¯

4
) surface, rich in under-coordinated sites, using a combination of several experimental techniques and density functional theory calculations. We determine the atomic-scale structure and find the surface to be a stable, long-range ordered, non-polar facet of ZnO, with a high step-density and uniform termination. Contrary to an earlier suggested nano-faceting model, a bulk termination fits much better to our experimental observations. The surface is further stabilized by dissociatively adsorbed H2O on adjacent under-coordinated O- and Zn-atoms. The stabilized surface remains highly active for water dissociation through the remaining under-coordinated Zn-sites. Such a vicinal oxide surface is a prerequisite for future adsorption studies with atomically controlled local step and terrace geometry.
Tailoring the cationic lipid composition of lipo-DVDMS augments the phototherapy efficiency of burn infection
Authors: Mai Bingjie , Gao Yiru , Li Min , Jia Mengqi , Liu Shupei , Wang Xiaobing , Zhang Kun , Liu Quanhong , Wang Pan
Published: January 2021

The schematic illustration of cationic liposomes and bacterial eradication in burn infections by PACT.
Cycloaddition mechanisms of CO2 and epoxide catalyzed by salophen – an organocatalyst free from metals and halides
Authors: Guo Cai-Hong , Liang Min , Jiao Haijun
Published: January 2021

The coupling mechanism of CO2 and epichlorohydrin catalyzed by salophen is computed. A neutral concerted bifunctional mechanism of phenolate as nucleophile and phenol as H-bonding donor in epoxide ring-opening and CO2 addition is suggested.
Solid-state redox couple mediated water splitting
Authors: Liu Duanduan , Wei Wei , Mahemu Maidina , Qin Hao , Zhu Kai , Yan Shicheng , Zou Zhigang
Published: January 2021

The solid-state redox couple is a vital charge transfer medium for electrochemical water splitting.
Photodynamic activity of Sn(iv) tetrathien-2-ylchlorin against MCF-7 breast cancer cells
Authors: Babu Balaji , Mack John , Nyokong Tebello
Published: January 2021

The utility of Sn(iv) tetraarylchlorins for use as photosensitizer dyes in photodynamic therapy is assessed.
A trinuclear nickel(ii) Schiff base complex with phenoxido- and acetato-bridges: combined experimental and theoretical magneto-structural correlation
Authors: Thakurta Santarupa , Maiti Monami , Butcher Ray J. , Gómez-García Carlos J. , Tsaturyan Arshak A.
Published: January 2021

A new Ni(ii) trimer with single-phenoxido and acetato bridges has been prepared and structurally characterized. Magnetic measurements and theoretical calculations allow to establish a magneto-structural correlation for this kind of bridges.
Temperature dependence of desolvation effects in hydrogen-bonded spin crossover complexes
Authors: Jornet-Mollá Verónica , Giménez-Saiz Carlos , Vieira Bruno J. C. , Waerenborgh João C. , Romero Francisco M.
Published: January 2021

Dehydration temperature influences the crystallinity and spin crossover properties of a hydrogen-bonded iron(ii) salt containing flexible dicarboxylate anions.
Molecular 1,1′-bifunctional mixed-valence P–P compounds, enabled through metal complexation
Authors: Schmer Alexander , Bauza Antonio , Schnakenburg Gregor , Frontera Antonio , Streubel Rainer
Published: January 2021

Synthesis of a new class of 1,1′-bifunctional phosphanylidene phosphorane complexes (A, C) is described and the chemistry of dinuclear diphosphene complex B investigated in terms of 1,1- vs. 1,2-addition reactions.
A RuII,III2 diphosphonato complex with a metal–metal bond for water oxidation
Authors: Chen Guo , Fan Ting , Liu Bin , Xue Meng , Wei Jing-Jing , Kang Shi-Rui , Tong Hai-Xia , Yi Xiao-Yi
Published: January 2021

A water soluble and wide pH stability RuII,III2 diphosphonato complex with a metal–metal bond was applied to water oxidation.
Measurements of the partitioning of nitric acid and sulfuric acid in aqueous/organic phase-separated systems
Authors: Deming Benjamin L. , Ziemann Paul J.
Published: January 2021

Measurements of partitioning of nitric acid and sulfuric acid between aqueous and organic phases show organic-phase acid is significant, which has implications for aerosol chemistry factors. These acids can then participate in organic reactions.
Degradation of pharmaceutical contaminants by bubbling gas phase surface discharge plasma combined with g-C3N4 photocatalysis
Authors: Wang Xiaoping , Luo Jihang , Huang Yunzhu , Mei Jie , Chen Yixia
Published: January 2021

The feasibility of using gas phase surface discharge with microporous bubbling combined with g-C3N4 photocatalysis for the degradation of pharmaceutical contaminants was evaluated.
ZIF-derived “senbei”-like Co9S8/CeO2/Co heterostructural nitrogen-doped carbon nanosheets as bifunctional oxygen electrocatalysts for Zn-air batteries
Authors: Sun Yinqing , Guan Yi , Wu Xiaochao , Li Wanqing , Li Yongliang , Sun Lingna , Mi Hongwei , Zhang Qianling , He Chuanxin , Ren Xiangzhong
Published: January 2021

The excellent bifunctional electrocatalytic activity of Co9S8/CeO2/Co-NC was derived from the successful construction of the unique Co9S8/CeO2 heterostructure and the synergetic effect of these two components.
Fluorescent nanocomposites based on gold nanoclusters for metal ion detection and white light emitting diodes
Authors: Zhang Yongjie , Feng Ning , Zhou Shujin , Xin Xia
Published: January 2021

Two nonocomposites with distinct emission properties were obtained by encapsulating MPA-AuNCs in either ZnS QDs or ZIF-8 shell, which were applied for discriminative chemical sensor and white light emitting diode respectively.
Calix[6]arene-based Brønsted acids for molecular recognition and catalysis
Authors: Cera Gianpiero , Cester Bonati Federica , Bazzoni Margherita , Secchi Andrea , Arduini Arturo
Published: January 2021

A threading process and catalysis governed by trifluoromethylsulfonamide moieties are reported.
Azidosphinganine enables metabolic labeling and detection of sphingolipid de novo synthesis
Authors: Fink Julian , Schumacher Fabian , Schlegel Jan , Stenzel Philipp , Wigger Dominik , Sauer Markus , Kleuser Burkhard , Seibel Jürgen
Published: January 2021

ω-N3-Sphinganine mimics the biological properties of its natural species, making it a powerful substrate for the investigation of single biosynthetic steps.
Dipolar and catalytic effects of an Fe3O4 based nitrogen-doped hollow carbon sphere framework for high performance lithium sulfur batteries
Authors: Deng Shungui , Li Qihua , Chen Yanhua , Wang Chao , Zhao Hongbin , Xu Jiaqiang , Wu Jinghua , Yao Xiayin
Published: January 2021

Well-designed hollow carbon sphere with embedded Fe3O4 nanoparticles is fabricated as sulfur host for Li–S batteries. The high catalytic activity of Fe3O4 can accelerate the redox conversion of polysulfide, facilitating the reaction kinetics.
Visible light-mediated applications of methylene blue in organic synthesis
Authors: Patel Roshan Ishwarbhai , Sharma Anoop , Sharma Shivani , Sharma Anuj
Published: January 2021

This review presents the manipulation of methylene blue in visible-light-assisted organic synthesis.
Simultaneous determination of 114 pesticides in complex Chinese herbal medicine Fritillaria using ordered mesoporous carbon CMK-3 as a reversed-dispersive solid phase extraction sorbent
Authors: Wu Tong , Qi Peipei , Wang Jiao , Wang Zhiwei , Di Shanshan , Xu Hao , Zhao Huiyu , Zhao Changshan , Wang Xinquan
Published: January 2021

Fritillaria, a traditional Chinese herbal medicine, is classified into many medicinal species and contains numerous complex components.
Manipulating the Raman scattering rotation via magnetic field in an MoS2 monolayer
Authors: Wan Yi , Cheng Xing , Li Yanfang , Wang Yaqian , Du Yongping , Zhao Yibin , Peng Bo , Dai Lun , Kan Erjun
Published: January 2021

Herein, we demonstrated that a perpendicular magnetic field could produce a dramatic scattering rotation for the vibrations in MoS2 monolayers.
Au nanoparticle-loaded eggshell for electrochemical detection of nitrite
Authors: Ding Qi , Cao Liping , Liu Minghuan , Lin Hetong , Yang Da-Peng
Published: January 2021

The schematic illustrates the preparation process of Au/CaCO3 nanocomposites. The bio-derived nanocomposites have successfully been applied for nitrite electrochemical detection.
Synthesis and biological activity of squaramido-tethered bisbenzimidazoles as synthetic anion transporters
Authors: Wang Zhong-Kun , Hong Xiao-Qiao , Hu Jinhui , Xing Yuan-Yuan , Chen Wen-Hua
Published: January 2021

A series of squaramido-tethered bisbenzimidazoles were synthesized and found to exhibit moderate anion transport and cytotoxicity.
Active motion of multiphase oil droplets: emergent dynamics of squirmers with evolving internal structure
Authors: Wang Xin , Zhang Rui , Mozaffari Ali , de Pablo Juan J. , Abbott Nicholas L.
Published: January 2021

Self-propelled motions of active droplets can be programmed by transforming their internal morphologies over time.
Modeling polymer crystallisation induced by a moving heat sink
Authors: Adhikari Sabin , Purushothaman Ahana , Krauskopf Alejandro A. , Durning Christopher , Kumar Sanat K. , Thampi Sumesh P.
Published: January 2021

Recent experiments have shown that polymer crystallisation can be used to “move” and organize nanoparticles. As a first effort at modelling this situation we consider the classical Stefan problem modified for a polymer melt but driven by a heat sink.
An effective strategy for the preparation of a wide-temperature-range proton exchange membrane based on polybenzimidazoles and polyacrylamide hydrogels
Authors: Yin Bibo , Wu Yingnan , Liu Chunfa , Wang Peng , Wang Lei , Sun Guoxing
Published: January 2021

OPBI-0.8AM membrane can operate from 80–160 °C which break through the limits of existing HT-PEMFCs materials.
Characteristics of YCoO3-type perovskite oxide and application as an SOFC cathode
Authors: Sakai Takaaki , Ogushi Masako , Hosoi Kohei , Inoishi Atsushi , Hagiwara Hidehisa , Ida Shintaro , Oishi Masatsugu , Ishihara Tatsumi
Published: January 2021

YCoO3 is discussed as a novel cathode material for solid oxide fuel cells (SOFCs).
Rationally designed hierarchical N-doped carbon nanotubes wrapping waxberry-like Ni@C microspheres for efficient microwave absorption
Authors: Liu Dawei , Du Yunchen , Xu Ping , Wang Fengyuan , Wang Yahui , Cui Liru , Zhao Honghong , Han Xijiang
Published: January 2021

The enhanced microwave absorption performance of composites benefits from simultaneous rational microstructure design and chemical composition modulation.
Using hysteresis to predict the charge recombination properties of perovskite solar cells
Authors: Wu Jionghua , Li Yusheng , Li Yiming , Xie Weihao , Shi Jiangjian , Li Dongmei , Cheng Shuying , Meng Qingbo
Published: January 2021

Hysteresis is used to predict perovskites solar cells recombination properties, implying that hysteresis is a double-edged sword for hybrid perovskite.
Boosting the stability of BiVO4 photoanodes: in situ cocatalyst passivation and immobilization by functional fluorine anions
Authors: Gao Rui-Ting , Wu Lijun , Liu Shujie , Hu Kan , Liu Xianhu , Zhang Jun , Wang Lei
Published: January 2021

A “surface-protected etching” strategy is proposed to photoelectrochemically in situ passivate the surface states by employing F− anions in electrolytes.
Luminance efficiency roll-off mechanism in CsPbBr3−xClx mixed-halide perovskite quantum dot blue light-emitting diodes
Authors: Park Young Ran , Kim Hong Hee , Eom Sangwon , Choi Won Kook , Choi Hyosung , Lee Bo Ram , Kang Youngjong
Published: January 2021

Efficiency roll-off is a significant issue in blue light-emitting diodes (LEDs), but its origin still remains controversial.
A small molecule acceptor with a heptacyclic benzodi(thienocyclopentafuran) central unit achieving 13.4% efficiency in polymer solar cells with low energy loss
Authors: Wang Kun , Chen Juan , Hu Jun , Guo Xia , Zhang Maojie , Li Yongfang
Published: January 2021

Two new small molecule acceptors based on heptacyclic benzodi(thienocyclopentafuran) (BFH) unit were developed. The optimal PSCs based on PM6: BFHIC-4F achieved a PCE of 13.4% with a low Eloss of 0.58 eV.
Correction: Effect of backbone and end-group regioisomerism on thermomechanical properties of vanillin-based polyurethane networks
Authors: Rangamani Adithya , Alabi Christopher A.
Published: January 2021

Correction for ‘Effect of backbone and end-group regioisomerism on thermomechanical properties of vanillin-based polyurethane networks’ by Adithya Rangamani et al., Polym. Chem., 2021, DOI: 10.1039/d0py01578d.
Correction: Homo-condensation of acetophenones toward imidazothiones
Authors: Pham Phuc Hoang , Thien Nguyen Phuc Thai , Bui Thuy Thu , Tra Hien Nhat , Nguyen Tung Thanh , Son Phan Nam Thanh
Published: January 2021

Correction for ‘Homo-condensation of acetophenones toward imidazothiones’ by Phuc Hoang Pham et al., RSC Adv., 2020, 10, 40225–40228, DOI: 10.1039/D0RA03047C.
Retraction: Chrysin attenuates myocardial ischemia–reperfusion injury by inhibiting myocardial inflammation
Authors: Fisher Laura
Published: January 2021

Retraction of ‘Chrysin attenuates myocardial ischemia–reperfusion injury by inhibiting myocardial inflammation’ by Jingguo Wu et al., 2018, 8, 13739–13746, DOI: 10.1039/C8RA00590G.
Retraction: Long non-coding RNA XIST promotes proliferation, autophagy and inhibits apoptosis by regulating microRNA-30c/ATG5 axis in gastric cancer
Authors: Fisher Laura
Published: January 2021

Retraction of ‘Long non-coding RNA XIST promotes proliferation, autophagy and inhibits apoptosis by regulating microRNA-30c/ATG5 axis in gastric cancer’ by Mingjian Liu et al., RSC Adv., 2018, 8, 37508–37517, DOI: 10.1039/C8RA07852A.
Retraction: Upregulation of miR-26b alleviates morphine tolerance by inhibiting BDNF via Wnt/β-catenin pathway in rats
Authors: Fisher Laura
Published: January 2021

Retraction of ‘Upregulation of miR-26b alleviates morphine tolerance by inhibiting BDNF via Wnt/β-catenin pathway in rats’ by Xing Liu et al., RSC Adv., 2019, 9, 40895–40902, DOI: 10.1039/C9RA06264E.
Correction: Proton conductivity of a hexagonal boron nitride membrane and its energy applications
Authors: Yoon Seong In , Ma Kyung Yeol , Kim Tae-Young , Shin Hyeon Suk
Published: January 2021

Correction for ‘Proton conductivity of a hexagonal boron nitride membrane and its energy applications’ by Seong In Yoon et al., J. Mater. Chem. A, 2020, 8, 2898–2912, DOI: 10.1039/C9TA12293A.
On the emergence of homochirality and life itself
Authors: Skolnick Jeffrey , Gao Mu
Published: January 2021

Many of life’s molecules including proteins are built from chiral building blocks. What drove homochiral building block selection? Simulations on demi-chiral proteins containing equal numbers of d- and l-amino acids show that they possess many modern homochiral protein properties. They have the same global folds and could do the same biochemistry, with ancient, essential functions being most prevalent. They could synthesize chiral RNA and lipids which formed vesicles. RNA eventually combined with proteins creating ribosomes for more efficient protein synthesis, and thus, life began. Increased native state stability from homochiral secondary structure hydrogen bonding helped drive proteins towards homochirality.
Effect of Formula Type and Preparation on International Dysphagia Diet Standardisation Initiative Thickness Level and Milk Flow Rates From Bottle Teats
Authors: Pados Britt F. , Feaster Victoria
Published: January 2021

Purpose

The purpose of this study was to evaluate the effect of infant formula type and preparation (i.e., ready-to-feed vs. powder) on International Dysphagia Diet Standardisation Initiative (IDDSI) thickness level and milk flow rates from bottle teats/nipples.

Method

The ready-to-feed and powder formulations of the following products were tested for IDDSI thickness level, using IDDSI guidelines, and for milk flow rate, using established flow testing methods: Similac Advance, Similac For Spit-Up, Enfamil Infant, and Enfamil A.R. Analysis of variance was used to compare flow rates among formula types/preparations.

Results

Enfamil A.R. ready-to-feed was classified as IDDSI “slightly thick.” All other formula types/preparations were found to be IDDSI “thin” liquids. The standard infant formulas (Similac Advance and Enfamil Infant) had comparable flow rates to each other, regardless of preparation (ready-to-feed and powder). The gastroesophageal reflux–specific formulas (Similac For Spit-Up and Enfamil A.R.) had slower flow rates than the standard formulas; within this category, there were significant differences in flow rates between ready-to-feed and powder. Enfamil A.R. powder had the slowest flow rate, but was the most variable.

Conclusion

For infants with difficulty coordinating sucking, swallowing, and breathing, clinicians and parents should consider the impact that changes to infant formula type and preparation may have on the infant's ability to safely feed.
High sensitivity Sagnac interferometric strain sensor based polarization maintaining fibre enhanced coupling
Authors: Ruan Juan
Published: January 2021

A high sensitivity, simple fabrication all‐fibre strain sensor is proposed and demonstrated experimentally. The sensor consists of a section of Panda‐type polarization maintaining fibre (PMF) built into a Sagnac interferometer. The Panda‐type PMF is intentionally spliced to the single‐mode fibre through enhanced fusion splicing to excite high‐order polarized modes. The enhanced fusion splicing characterizes a large magnitude of overlap. The measured strain sensitivity reaches up to 32 pm/με and the strain resolution of 0.63 με has been achieved. The proposed fibre strain sensor characterizing easy fabrication and high sensitivity can be a good candidate in the field of structural health monitoring.
Design, analysis and performance evaluation of parallel algorithms for solving triangular linear systems on multicore platforms
Authors: Belmabrouk Mounira , Marrakchi Mounir
Published: January 2021

In this paper, we focus on the schedulings of 2-steps graph with constant task cost obtained when parallelizing algorithm solving a triangular linear system. We present three scheduling approaches having the same least theoretical execution time. The first is designed through solving a 0-1 integer problem by Mixed Integer Programming (MIP), the second is based on the Critical Path Algorithm (CPA) and the third is a particular Column-Oriented Scheduling (COS). The MIP approach experiments were carried out and confirmed that the makespan values of the MIP scheduling coincide with those of the corresponding lower bound already reached. Experimental results of the last two approaches detailing both makespans and efficiencies are presented and show that their practical performances differ though they are theoretically identical. We compare also these results to those of the appropriate procedure into so-called PLASMA library (Parallel Linear Algebra for Scalable Multi-core Architectures).