bluuebunny/crossref_metadata_2025 huggingface dataset:
CUL5-ARIH2 E3-E3 ubiquitin ligase structure reveals cullin-specific NEDD8 activation
Authors: Kostrhon Sebastian , Prabu J. Rajan , Baek Kheewoong , Horn-Ghetko Daniel , von Gronau Susanne , Klügel Maren , Basquin Jérôme , Alpi Arno F. , Schulman Brenda A.
Published: September 2021

An emerging mechanism of ubiquitylation involves partnering of two distinct E3 ligases. In the best-characterized E3-E3 pathways, ARIH-family RING-between-RING (RBR) E3s ligate ubiquitin to substrates of neddylated cullin-RING E3s. The E3 ARIH2 has been implicated in ubiquitylation of substrates of neddylated CUL5-RBX2-based E3s, including APOBEC3-family substrates of the host E3 hijacked by HIV-1 virion infectivity factor (Vif). However, the structural mechanisms remained elusive. Here structural and biochemical analyses reveal distinctive ARIH2 autoinhibition, and activation on assembly with neddylated CUL5-RBX2. Comparison to structures of E3-E3 assemblies comprising ARIH1 and neddylated CUL1-RBX1-based E3s shows cullin-specific regulation by NEDD8. Whereas CUL1-linked NEDD8 directly recruits ARIH1, CUL5-linked NEDD8 does not bind ARIH2. Instead, the data reveal an allosteric mechanism. NEDD8 uniquely contacts covalently linked CUL5, and elicits structural rearrangements that unveil cryptic ARIH2-binding sites. The data reveal how a ubiquitin-like protein induces protein-protein interactions indirectly, through allostery. Allosteric specificity of ubiquitin-like protein modifications may offer opportunities for therapeutic targeting.
The critical role of natural history museums in advancing eDNA for biodiversity studies: a case study with Amazonian fishes
Authors: de Santana C. David , Parenti Lynne R. , Dillman Casey B. , Coddington Jonathan A. , Bastos Douglas A. , Baldwin Carole C. , Zuanon Jansen , Torrente-Vilara Gislene , Covain Raphaël , Menezes Naércio A. , Datovo Aléssio , Sado T. , Miya M.
Published: September 2021

Ichthyological surveys have traditionally been conducted using whole-specimen, capture-based sampling with varied but conventional fishing gear. Recently, environmental DNA (eDNA) metabarcoding has emerged as a complementary, and possible alternative, approach to whole-specimen methodologies. In the tropics, where much of the diversity remains undescribed, vast reaches continue unexplored, and anthropogenic activities are constant threats; there have been few eDNA attempts for ichthyological inventories. We tested the discriminatory power of eDNA using MiFish primers with existing public reference libraries and compared this with capture-based methods in two distinct ecosystems in the megadiverse Amazon basin. In our study, eDNA provided an accurate snapshot of the fishes at higher taxonomic levels and corroborated its effectiveness to detect specialized fish assemblages. Some flaws in fish metabarcoding studies are routine issues addressed in natural history museums. Thus, by expanding their archives and adopting a series of initiatives linking collection-based research, training and outreach, natural history museums can enable the effective use of eDNA to survey Earth’s hotspots of biodiversity before taxa go extinct. Our project surveying poorly explored rivers and using DNA vouchered archives to build metabarcoding libraries for Neotropical fishes can serve as a model of this protocol.
ROV assessment of mesophotic fish and associated habitats across the continental shelf of the Amathole region
Authors: Button Rio E. , Parker Denham , Coetzee Vivienne , Samaai Toufiek , Palmer Ryan M. , Sink Kerry , Kerwath Sven E.
Published: September 2021

Understanding how fish associate with habitats across marine landscapes is crucial to developing effective marine spatial planning (MSP) in an expanding and diversifying ocean economy. Globally, anthropogenic pressures impact the barely understood temperate mesophotic ecosystems and South Africa’s remote Amathole shelf is no exception. The Kei and East London region encompass three coastal marine protected areas (MPAs), two of which were recently extended to the shelf-edge. The strong Agulhas current (exceeding 3 m/s), which runs along the narrow shelf exacerbates sampling challenges. For the first time, a remotely operated vehicle (ROV) surveyed fish and their associated habitats across the shelf. Results indicated fish assemblages differed between the two principle sampling areas, and across the shelf. The number of distinct fish assemblages was higher inshore and on the shelf-edge, relative to the mid-shelf. However, the mid-shelf had the highest species richness. Unique visuals of rare Rhinobatos ocellatus (Speckled guitarfish) and shoaling Polyprion americanus (wreckfish) were collected. Visual evidence of rhodolith beds, deep-water lace corals and critically endangered endemic seabreams were ecologically important observations. The ROV enabled in situ sampling without damaging sensitive habitats or extracting fish. This study provided information that supported the Amathole MPA expansions, which extended protection from the coast to beyond the shelf-edge and will guide their management. The data gathered provides baseline information for future benthopelagic fish and habitat monitoring in these new MPAs.
Real-time geospatial analysis identifies gaps in COVID-19 vaccination in a minority population
Authors: Bauer Cici , Zhang Kehe , Lee Miryoung , Jones Michelle , Rodriguez Arturo , de la Cerda Isela , Reininger Belinda , Fisher-Hoch Susan P. , McCormick Joseph B.
Published: September 2021

COVID-19 vaccination is being rapidly rolled out in the US and many other countries, and it is crucial to provide fast and accurate assessment of vaccination coverage and vaccination gaps to make strategic adjustments promoting vaccine coverage. We reported the effective use of real-time geospatial analysis to identify barriers and gaps in COVID-19 vaccination in a minority population living in South Texas on the US-Mexico Border, to inform vaccination campaign strategies. We developed 4 rank-based approaches to evaluate the vaccination gap at the census tract level, which considered both population vulnerability and vaccination priority and eligibility. We identified areas with the highest vaccination gaps using different assessment approaches. Real-time geospatial analysis to identify vaccination gaps is critical to rapidly increase vaccination uptake, and to reach herd immunity in the vulnerable and the vaccine hesitant groups. Our results assisted the City of Brownsville Public Health Department in adjusting real-time targeting of vaccination, gathering coverage assessment, and deploying services to areas identified as high vaccination gap. The analyses and responses can be adopted in other locations.
Impact of KRAS mutation status on the efficacy of immunotherapy in lung cancer brain metastases
Authors: Lauko Adam , Kotecha Rupesh , Barnett Addison , Li Hong , Tatineni Vineeth , Ali Assad , Patil Pradnya , Mohammadi Alireza M. , Chao Samuel T. , Murphy Erin S. , Angelov Lilyana , Suh John H. , Barnett Gene H. , Pennell Nathan A. , Ahluwalia Manmeet S.
Published: September 2021

Immune checkpoint inhibitors (ICIs) have resulted in improved outcomes in non-small cell lung cancer (NSCLC) patients. However, data demonstrating the efficacy of ICIs in NSCLC brain metastases (NSCLCBM) is limited. We analyzed overall survival (OS) in patients with NSCLCBM treated with ICIs within 90 days of NSCLCBM diagnosis (ICI-90) and compared them to patients who never received ICIs (no-ICI). We reviewed 800 patients with LCBM who were diagnosed between 2010 and 2019 at a major tertiary care institution, 97% of whom received stereotactic radiosurgery (SRS) for local treatment of BM. OS from BM was compared between the ICI-90 and no-ICI groups using the Log-Rank test and Cox proportional-hazards model. Additionally, the impact of KRAS mutational status on the efficacy of ICI was investigated. After accounting for known prognostic factors, ICI-90 in addition to SRS led to significantly improved OS compared to no-ICI (12.5 months vs 9.1, p < 0.001). In the 109 patients who had both a known PD-L1 expression and KRAS status, 80.4% of patients with KRAS mutation had PD-L1 expression vs 61.9% in wild-type KRAS patients (p = 0.04). In patients without a KRAS mutation, there was no difference in OS between the ICI-90 vs no-ICI cohort with a one-year survival of 60.2% vs 54.8% (p = 0.84). However, in patients with a KRAS mutation, ICI-90 led to a one-year survival of 60.4% vs 34.1% (p = 0.004). Patients with NSCLCBM who received ICI-90 had improved OS compared to no-ICI patients. Additionally, this benefit appears to be observed primarily in patients with KRAS mutations that may drive the overall benefit, which should be taken into account in the development of future trials.
Climate variables effect on fruiting pattern of Kinnow mandarin (Citrus nobilis Lour × C. deliciosa Tenora) grown at different agro-climatic regions
Authors: Nawaz Rab , Khan Muhammad Azam , Hafiz Ishfaq Ahmad , Khan Muhammad Faisal , Khalid Azeem
Published: September 2021

Kinnow orchards grown in different agro-ecological regions of Punjab, Pakistan, namely Sargodha, Toba Tek Singh (TTS) and Vehari districts, were selected to assess the effect of climate variables on fruit-bearing patterns. Experiment was laid out in RCBD while selecting identical features Kinnow plants and labeled twigs at analogous canopy positions in all three sites. Temperature was reported higher in TTS and Vehari areas, while relative humidity in Sargodha accounted for different levels of agrometeorological indices by computing more variations in warm districts. Climate variables influenced fruit-bearing habits and vegetative growth trend in all three flushes while recording heavy fruit-bearing plants during on-year and light fruit-bearing in off-year at Vehari. Similarly, three vegetative flushes were recorded unevenly in all three sites due to different fruit-bearing patterns induced by climate variables. Harvesting pattern of orchards began earlier in Sargodha, where maximum orchards were harvested before new flowering to add evenness to fruiting habits during on & off-years. In warm conditions, fruit ripening arrived in the peak of winter and mostly domestic market-driven harvesting resulted in late start of fruit picking with more erratic fruit-bearing habits. Both physiological and pathological fruit drops have been significantly affected by climate variables with a higher degree of physiological drop in warm regions and pathological effects in the humid conditions of Sargodha on heavy fruit-bearing plants. Fruit yield and grading quality were also affected in both seasons by showing more asymmetrical trend in yield and fruit grading in warm areas of TTS and Vehari due to an irregular fruiting pattern compared to Sargodha. From now on, the climate variables of the three sites directly influenced the fruiting patterns, vegetative flushes, fruit drops, yields and grades of Kinnow mandarin.
Fluorescent lamp tungsten filament thermionic emission gun as a novel humidity optical sensor
Authors: Torabi-Monfared Hossein , Sherafat Leila , Doroodmand Mohammad Mahdi , Eshghi Fazlolah
Published: September 2021

Detecting humidity have been remained a continuing concern within some important areas such as structural health, food processing, industrial as well as agricultural products. In this study, a novel humidity optical sensor is introduced based on the thermionic emission of tungsten filament using the fluorescent lamp set-up. Estimated blue compliant using a charged coupling device camera in optical image of the tungsten filament was confirmed as an appropriate detection system for relative humidity (RH) sensing. The fabricated optical sensor has wide linear range (2.0–98% RH), improved detection limit (< 5.0% RH), acceptable saturated limit (> 99.0% RH), improved percentage of relative standard deviation (4.18%, n = 2), adequate hysteresis (< 4.0% RH) and a shorter rise time (< 5.0 s), respectively. The mechanism behind this detection system is based on the interaction between H2O and tungsten filament during formation of W$${\mathrm{O}}_{3}$$

O
3

.x $${\mathrm{H}}_{2}$$

H
2

O (x = 1–2) in terms of some spectroscopic obtained evidences as well as Fourier transform infrared and X-ray diffraction spectrometries.
Morphological changes in the trabecular meshwork and Schlemm’s canal after treatment with topical intraocular pressure-lowering agents
Authors: Park Ji-Hye , Chung Hyun Woo , Yoon Eun Gyu , Ji Min Jung , Yoo Chungkwon , Kim Yong Yeon
Published: September 2021

Glaucoma treatment is usually initiated with topical medication that lowers the intraocular pressure (IOP) by reducing the aqueous production, enhancing the aqueous outflow, or both. However, the effect of topical IOP-lowering medications on the microstructures of the aqueous outflow pathway are relatively unknown. In this retrospective, observational study, 56 treatment-naïve patients with primary open-angle glaucoma were enrolled. Images of the nasal and temporal corneoscleral limbus were obtained using anterior segment optical coherence tomography (AS-OCT). The conjunctival vessels and iris anatomy were used as landmarks to select the same limbal area scan, and the trabecular meshwork (TM) width, TM thickness, and Schlemm’s canal (SC) area were measured before and after using the IOP-lowering agents for 3 months. Among the 56 patients enrolled, 33 patients used prostaglandin (PG) analogues, and 23 patients used dorzolamide/timolol fixed combination (DTFC). After 3 months of DTFC usage, the TM width, TM thickness, and SC area did not show significant changes in either the nasal or temporal sectors. Conversely, after prostaglandin analog usage, the TM thickness significantly increased, and the SC area significantly decreased (all P < 0.01). These findings warrant a deeper investigation into their relationship to aqueous outflow through the conventional and unconventional outflow pathways after treatment with PG analogues.
Deoxygenative hydroboration of primary and secondary amides: a catalyst-free and solvent-free approach
Authors: Kumar Rohit , Bisai Milan Kumar , Jain Shailja , Vanka Kumar , Sen Sakya S.
Published: September 2021

Reduction of primary and secondary amides to amines without the need of any catalyst has been developed.
Correction: Dynamic visualization of mRNA splicing variants with a transactivating reporter
Authors: Chen Si , Shu Wenjie , Zheng Haifeng , Ma Zhe , Li Miao , Wang Fu
Published: September 2021

Correction for ‘Dynamic visualization of mRNA splicing variants with a transactivating reporter’ by Si Chen et al., Chem. Commun., 2021, DOI: 10.1039/d1cc02439f.
Dissociative photodetachment of H3O2−: a full-dimensional quantum dynamics study
Authors: Song Hongwei , Zhu Yongfa , Pan Mengyi , Yang Minghui
Published: September 2021

Good agreement between experimental and theoretical PPC spectra for the pentatomic anion H3O2−.
Facile fabrication of WS2 nanocrystals confined in chlorella-derived N, P co-doped bio-carbon for sodium-ion batteries with ultra-long lifespan
Authors: Kang Biyu , Wang Yiyi , He Xiaotong , Wu Yaling , Li Xinye , Lin Chuyuan , Chen Qinghua , Zeng Lingxing , Wei Mingdeng , Qian Qingrong
Published: September 2021

The WS2/NPC-2 composite was synthesized as a high performance anode material for SIBs.
Helical donor–acceptor platinum complexes displaying dual luminescence and near-infrared circularly polarized luminescence
Authors: Vázquez-Domínguez Pablo , Journaud Océane , Vanthuyne Nicolas , Jacquemin Denis , Favereau Ludovic , Crassous Jeanne , Ros Abel
Published: September 2021

A series of chiral platina[5]helicenes displaying near-infrared circularly polarized luminescence with dissymmetry factors up to 3 × 10−3 at 750 nm have been synthesised, characterised and studied by first-principle calculations.
Bonding analysis in ytterbium(ii) distannyl and related tetryls
Authors: Chapple Peter M. , Cartron Julien , Hamdoun Ghanem , Cordier Marie , Kahlal Samia , Oulyadi Hassan , Carpentier Jean-François , Saillard Jean-Yves , Sarazin Yann
Published: September 2021

The suite of heterobimetallic ytterbium(ii) tetryls [Yb{E(SiMe3)3}2·(thf)x] (E = Si, Ge, Sn) have been synthesised, and their bonding and electronic properties have been comprehensively investigated.
DFT insights into the Ni-catalyzed regioselective hydrocarboxylation of unsaturated alkenes with CO2
Authors: Shao Yifan , Nie Wan , Yao Chengyu , Ye Lina , Yu Haizhu
Published: September 2021

The substituted benzylic group promotes the β-H transfer and subsequent α-carboxylation for aromatic olefins, while β-carboxylation is predominant for aliphatic alkenes due to the disfavored H-transfer (lower proton affinity of aliphatic alkenes).
Amorphous AlN films grown by ALD from trimethylaluminum and monomethylhydrazine
Authors: Parkhomenko Roman G. , De Luca Oreste , Kołodziejczyk Łukasz , Modin Evgeny , Rudolf Petra , Martínez Martínez Diego , Cunha Luis , Knez Mato
Published: September 2021

Amorphous AlN films grown from TMA and MMH were obtained and investigated. The amount of impurities varied from 3 to 9 at% for carbon, and 4 to 12 at% for oxygen. The values of mechanical characteristics were ∼14 GPa (hardness) and ∼164 GPa (Young's modulus).
Construction of Z-scheme Bi3TaO7/Zn0.5Cd0.5S composites with high efficiency for levofloxacin degradation under visible light irradiation
Authors: Xu Jingjing , Liu Yang , Li Xueping , Chen Mindong
Published: September 2021

A novel direct Z-scheme Bi3TaO7/Zn0.5Cd0.5S composite photocatalyst with enhanced degradation activity of levofloxacin was prepared for the first time, and the mechanism of enhanced activity and degradation pathway of levofloxacin were discussed.
Computational determination of the mechanism of the Pd-catalyzed formation of isatoic anhydrides from o-haloanilines, CO, and CO2
Authors: Gu Jun , Zhao Fengyue , Houk K. N. , Lu Qianqian , Liu Fang
Published: September 2021

External CMD for N–H activation. Stepwise more favourable than concerted. n = 0, Carbonylation prior to carboxylation. n = 1, Only carbonylation.
Microfluidic single-cell transcriptomics: moving towards multimodal and spatiotemporal omics
Authors: Lin Shichao , Liu Yilong , Zhang Mingxia , Xu Xing , Chen Yingwen , Zhang Huimin , Yang Chaoyong
Published: September 2021

This review summarizes typical microfluidic platforms for isolation and transcriptomic analysis of single cells and highlights recent advances in microfluidic single-cell transcriptomics including multimodal omics and spatiotemporal transcriptomics.
Catalytic activity of a microporous–mesoporous composite towards liquid phase oxidation of diphenylmethane
Authors: Kalita Priyanka , Das Doli Rani , Hazarika Debojit , Talukdar Anup Kumar
Published: September 2021

Cobalt-loaded ZSM-5/MCM-41 composites were synthesized and characterized by different characterization techniques and the catalytic activity of the synthesized materials was studied for liquid phase oxidation of diphenylmethane.
Multi-colored shades of betalains: recent advances in betacyanin chemistry
Authors: Kumorkiewicz-Jamro Agnieszka , Świergosz Tomasz , Sutor Katarzyna , Spórna-Kucab Aneta , Wybraniec Sławomir
Published: September 2021

The updated classification of all known betacyanin plant pigments and a review of the current research focused on the chemical properties of the pigments are presented, in addition to the description of semi-synthesis of betalamic acid conjugates.
Structure and surface properties of size-tuneable CsPbBr3 nanocrystals
Authors: Hooper Thomas J. N. , Fang Yanan , Brown Alasdair A. M. , Pu Suan Hui , White Tim J.
Published: September 2021

A thorough characterization of size-tunable CsPbBr3 nanocrystals, focusing on 133Cs solid state NMR.
Polysalt ligands achieve higher quantum yield and improved colloidal stability for CsPbBr3 quantum dots
Authors: Wang Sisi , Du Liang , Donmez Selin , Xin Yan , Mattoussi Hedi
Published: September 2021

Colloidal lead halide perovskite quantum dots (PQDs) are relatively new semiconductor nanocrystals with great potential for use in optoelectronic applications.
Recent strategies used in the synthesis of saturated four-membered heterocycles
Authors: Malarney Kien P. , KC Shekhar , Schmidt Valerie A.
Published: September 2021

Recent advances in the synthesis of O-, N-, and S-atom containing saturated 4-membered heterocycles are presented based on their preparative similarities. These strategic approaches highlight both progress made and remaining synthetic opportunities.
Facile fabrication of robust gel poly(ionic liquid) electrolytes via base treatment at room temperature
Authors: Zhang Chongrui , Zhang Yong , Zhao Qiang , Xue Zhigang
Published: September 2021

This article reports a facile fabrication of robust gel poly(ionic liquid) electrolytes via base treatment.
Isomorphs in nanoconfined liquids
Authors: Carter Benjamin M. G. D. , Royall C. Patrick , Dyre Jeppe C. , Ingebrigtsen Trond S.
Published: September 2021

Invariance of dynamics along an isomorph (left) compared to an isochore (right) in a nanoconfined liquid.
Semi- and fully synthetic carbohydrate vaccines against pathogenic bacteria: recent developments
Authors: Zasłona Magdalena E. , Downey A. Michael , Seeberger Peter H. , Moscovitz Oren
Published: September 2021

The importance of vaccine-induced protection was repeatedly demonstrated over the last three decades and emphasized during the recent COVID-19 pandemic as the safest and most effective way of preventing infectious diseases. Vaccines have controlled, and in some cases, eradicated global viral and bacterial infections with high efficiency and at a relatively low cost. Carbohydrates form the capsular sugar coat that surrounds the outer surface of human pathogenic bacteria. Specific surface-exposed bacterial carbohydrates serve as potent vaccine targets that broadened our toolbox against bacterial infections. Since first approved for commercial use, antibacterial carbohydrate-based vaccines mostly rely on inherently complex and heterogenous naturally derived polysaccharides, challenging to obtain in a pure, safe, and cost-effective manner. The introduction of synthetic fragments identical with bacterial capsular polysaccharides provided well-defined and homogenous structures that resolved many challenges of purified polysaccharides. The success of semisynthetic glycoconjugate vaccines against bacterial infections, now in different phases of clinical trials, opened up new possibilities and encouraged further development towards fully synthetic antibacterial vaccine solutions. In this mini-review, we describe the recent achievements in semi- and fully synthetic carbohydrate vaccines against a range of human pathogenic bacteria, focusing on preclinical and clinical studies.
BioInspired, BioDriven, BioMADE: The U.S. Bioindustrial Manufacturing and Design Ecosystem as a driver of the 4th Industrial Revolution
Authors: Rose Patrick P. , Friedman Douglas
Published: September 2021

When we think about the potential that biology has to offer, the U.S. Bioindustrial Manufacturing and Design Ecosystem or BioMADE slogan could read, ‘we don't make the products you buy, we make the products that you buy, with biology’. BioMADE is a non‐profit public–private partnership between the U.S. government and the private sector to leverage the work already accomplished in industry, accelerate the bioindustrial revolution, and create a stronger, resilient, sustainable, and environmentally friendly manufacturing ecosystem. BioMADE endeavours to be a leader, an enabler, and a beacon for how contemporary manufacturing can be transformed with biology to mature the bioindustrial manufacturing ecosystem. The institute cannot go this path alone to solve all the problems and coalesce the existing ecosystem. It requires determination and commitment from the private sector, academia, non‐profit research institutions and national laboratories; the entire community. Many technical challenges and adoption hurdles still loom high. Industry and consumers need to start accepting that engineering biology has a critical role to play in the manufacturing of many of the materials and products we use today.
Bright galaxy sample in the Kilo-Degree Survey Data Release 4
Authors: Bilicki M. , Dvornik A. , Hoekstra H. , Wright A. H. , Chisari N. E. , Vakili M. , Asgari M. , Giblin B. , Heymans C. , Hildebrandt H. , Holwerda B. W. , Hopkins A. , Johnston H. , Kannawadi A. , Kuijken K. , Nakoneczny S. J. , Shan H. Y. , Sonnenfeld A. , Valentijn E.
Published: September 2021

We present a bright galaxy sample with accurate and precise photometric redshifts (photo-zs), selected usingugriZYJHKsphotometry from the Kilo-Degree Survey (KiDS) Data Release 4. The highly pure and complete dataset is flux-limited atr < 20 mag, covers ∼1000 deg2, and contains about 1 million galaxies after artifact masking. We exploit the overlap with Galaxy And Mass Assembly spectroscopy as calibration to determine photo-zs with the supervised machine learning neural network algorithm implemented in the ANNz2 software. The photo-zs have a mean error of |⟨δz⟩|∼5 × 10−4and low scatter (scaled mean absolute deviation of ∼0.018(1 + z)); they are both practically independent of ther-band magnitude and photo-zat 0.05 < zphot < 0.5. Combined with the 9-band photometry, these allow us to estimate robust absolute magnitudes and stellar masses for the full sample. As a demonstration of the usefulness of these data, we split the dataset into red and blue galaxies, used them as lenses, and measured the weak gravitational lensing signal around them for five stellar mass bins. We fit a halo model to these high-precision measurements to constrain the stellar-mass–halo-mass relations for blue and red galaxies. We find that for high stellar mass (M⋆ > 5 × 1011 M⊙), the red galaxies occupy dark matter halos that are much more massive than those occupied by blue galaxies with the same stellar mass.
Sulfur ion irradiation experiments simulating space weathering of Solar System body surfaces
Authors: Ruf Alexander , Bouquet Alexis , Schmitt-Kopplin Philippe , Boduch Philippe , Mousis Olivier , Danger Grégoire
Published: September 2021

Context. Sulfur (S) is of prime interest in the context of (astro)chemical evolution and habitability. However, the origin of S-bearing organic compounds in the Solar System is still not well constrained.

Aims. We carried out laboratory experiments to test whether complex organosulfur compounds can be formed when surfaces of icy Solar System bodies are subject to high-energy S ions.

Methods. Non-S-bearing organic residues, formed during the processing of astrophysical H2O:CH3OH:NH3-bearing ice analogs, were irradiated with 105 keV-S7+ ions at 10 K and analyzed by high-resolving FT-ICR-MS. The resulting data were comprehensively analyzed, including network analysis tools.

Results. Out of several thousands of detected compounds, 16% contain at least one sulfur atom (organosulfur (CHNOS) compounds), as verified via isotopic fine structures. These residue-related organosulfur compounds are different from those formed during the S ion irradiation of ices at 10 K. Furthermore, insoluble, apolar material was formed during the sulfur irradiation of residues. Potential organosulfur precursors (CHNO molecules) were identified by means of molecular networks.

Conclusions. This evidence of organosulfur compounds formed by sulfur irradiation of organic residues sheds new light onto the rich and complex scope of pristine organosulfur chemistry in the Solar System, presented in the context of current and future space missions. These results indicate that the space weathering of Solar System bodies may lead to the formation of organosulfur compounds.
Evozierte Potenziale – Reminder und Update
Authors: Weise David , Groiss Stefan Jun , Klinker Florian , Mess Werner H. , Milnik Volker , Zeller Daniel
Published: September 2021

Mit Hilfe der evozierten Potenziale und der magnetisch evozierten motorischen Potenziale können verlängerte Latenzen zentraler Leitungsbahnen und peripherer Nerven nachgewiesen oder ausgeschlossen werden. Somit können Symptome objektiviert und quantifiziert sowie Läsionen lokalisiert werden. In diesem Beitrag werden Durchführung und Indikationen der einzelnen Modalitäten zusammengefasst und Neuerungen berichtet.
Liebe Kolleginnen und Kollegen,
Authors: Trollmann Regina , Müller-Felber Wolfgang
Published: September 2021

Epilepsien stellen die häufigste chronisch neurologische Erkrankung im
Kindes- und Jugendalter mit einer Prävalenz von etwa 1% dar. Als
„Seltene Erkrankungen“ werden pädiatrische Epilepsien mit
einer Inzidenz von≤5 Individuen pro 10 000 Einwohnern bezeichnet, die
altersspezifische pädiatrische Epilepsie-Syndrome, Entwicklungs- und
epileptische Enzephalopathien oder Epilepsien im Rahmen einer spezifischen
Grunderkrankung oder ungeklärter Ätiologie umfassen. Fortschritte in
den Bereichen der Bildgebung, der Metabolik und Genetik haben in den letzten Jahren
Einblicke in ätiologische Mechanismen pädiatrischer Epilepsien und
Enzephalopathien sowie der Epileptogenese enorm verbessert. Auf der Basis ihres
Genotyps können einige pädiatrische epileptische Enzephalopathien
inzwischen als Ionenkanalerkrankungen, Synaptopathien, Neurotransmittererkrankungen,
mTORpathien u. a. als spezifische Enzephalopathie klassifiziert werden. Neue
Perspektiven ergeben sich zunehmend durch diagnosespezifische
Therapieansätze im Sinne der Präzisionsmedizin.
Dysphagie bei CIP/CIM nach schwerer Covid-19-Pneumonie
Authors: Manke Julia , Klonowski Madleen , Christiansen Johanna
Published: September 2021

Seit über einem Jahr beeinflusst und verändert Covid-19 unseren (Berufs-)Alltag. In der neurologischen Frührehabilitation stellen „Post-Covid-Patienten“ die Dysphagietherapie vor neue Herausforderungen. Durch schwere pulmonale Schädigungen sind die Ressourcen in der Schlucktherapie begrenzt. Faktoren wie ein reduziertes regeneratives Potenzial der Lunge, ein kraftgeminderter Hustenstoß, wiederkehrende Atemnot sowie Einschränkungen der Schluck-Atem-Koordination wirken sich limitierend auf die Therapie aus und beeinflussen darüber hinaus die Lebensqualität der Patient*innen.
Dysphagie – instrumentelle Diagnostik im sprachtherapeutischen Arbeitsfeld
Authors: Pluschinski Petra , Hofmayer Andrea , Peter Sina
Published: September 2021

Die instrumentelle Diagnostik bei Patienten und Patientinnen mit Dysphagie ist die tragende Säule innerhalb des komplexen Dysphagiemanagements. Die Autorinnen vermitteln einen Überblick über den aktuellen Stand der Wissenschaft und beleuchten die klinische Relevanz, wobei die Stärken und Schwächen der einzelnen Verfahren (etablierte und innovativere) skizziert werden.
Stabilisierungsgruppe für traumatisierte männliche
Geflüchtete in einer Erstaufnahmeeinrichtung des Landes
Baden-Württemberg: Konzept und Erfahrungen
Authors: Zehetmair Catharina , Kaufmann Claudia , Tegeler Inga , Klippel Anne , Nagy Ede , Kindermann David , Friederich Hans-Christoph , Nikendei Christoph
Published: September 2021

Geflüchtete erleben vielfach traumatisierende Ereignisse im Heimatland
und auf der Flucht, die in dieser Gruppe zu einer erhöhten
Prävalenz der Posttraumatischen Belastungsstörung
führen. Traumaorientierte stabilisierende Techniken können vor
allem in der frühen post-migratorischen Phase eine erste psychosoziale
Stabilisierung traumatisierter Geflüchteter bewirken. In diesem Beitrag
wird das klinische Konzept der offenen Stabilisierungsgruppe für
männliche, traumatisierte Geflüchtete im Erstaufnahme- und
Registrierungszentrum „Patrick-Henry Village“ des Landes
Baden-Württemberg vorgestellt. Die Stabilisierungsgruppe in englischer
Sprache folgt einem offenen Gruppenkonzept mit einer wiederkehrenden Struktur
bestehend aus Begrüßungsrunde, dem gemeinsamen Üben von
Achtsamkeits- und imaginativen Stabilisierungsübungen und einer
Abschlussrunde. Die bisherigen Erfahrungen zeigen, dass das Konzept einer
offenen Stabilisierungsgruppe im Kontext einer Erstaufnahme- und
Registrierungsstelle für Geflüchtete gut implementierbar ist.
Synthesis of Fatty 1,2,4-Trioxanes by Peracetalization of β-Hydroxy Hydroperoxides
Authors: Duguet Nicolas , De Dios Miguel Thomas , Louvel Dan , Onida Killian , Lavoignat Adeline , Picot Stephane
Published: September 2021

The peracetalization of a β-hydroxy hydroperoxide derived from methyl oleate was studied using benzaldehyde as a model substrate to give the corresponding fatty 1,2,4-trioxane. The desired product was obtained as a mixture of regioisomers but only one diastereoisomer of each was formed. The nature of the acid catalyst was studied and both p-toluene sulfonic acid (PTSA) and Amberlyst A35 (A35) were found to be efficient homogeneous and heterogeneous catalysts, respectively. The nature of the solvent was also investigated and ethereal solvents such as 2-methyltetrahydrofuran (2-MeTHF), methyl tert-butyl ether (MTBE) and cyclopentyl methyl ether (CPME) gave the best NMR yield (85%) for the preparation of the fatty trioxane. The optimized conditions were applied to a range of aromatic and aliphatic aldehydes, and the corresponding 1,2,4-trioxanes were isolated with 30–91% yields (21 examples). The antimalarial activity of three trioxanes was studied against Plasmodium falciparum, however, no significant activity was detected (IC50 >1600 nM).
Stationary approximations of stochastic wave equations on unbounded domains with critical exponents
Authors: Wang Xiaohu , Lu Kening , Wang Bixiang
Published: September 2021

This paper is concerned with the stationary approximations of the stochastic wave equations defined on Rn with critical exponents. For a class of nonlinear diffusion terms, we prove the existence and uniqueness of tempered pullback attractors of the random wave equations driven by a stationary process as an approximation to the white noise. For a linear multiplicative noise, we prove the upper semicontinuity of these attractors as the step size of the approximations approaches zero. The asymptotic compactness of the solutions on Rn is established by the idea of energy equations and the uniform estimates on the tails of the solutions.
Performance of cryogenic demountable indium seal at high pressures
Authors: Wang Xiuli , Li Shu , Ju Yonglin , Lei Zhuoqun , Liu Jianglai , Ji Xiangdong , Tang Xuefeng , Gou Yonghua
Published: September 2021

An essential challenge in seal design is to provide an ultra-low leak rate at cryogenic temperatures and high pressures. In this paper, the performance of demountable indium seals under a charging pressure of 8.5 MPa A and at cryogenic temperatures down to −190 °C was investigated. Three indium seal structures with a diameter of 30 mm were specifically designed and tested. All three structures went through both room temperature and cryogenic temperature tests in cycles with a pressure of up to 8.5 MPa A. In addition, leak rate experiments regarding the creep relaxation effect of the indium ring were conducted. The results showed that the leak rates of all three structures were lower than 1 × 10−10 Pa m3 s−1 at both room temperature and cryogenic temperature with the pressure up to 8.5 MPa A when the torque was 8 or 12 N m. It was concluded that the linear loads for achieving a successful indium seal were 163, 171, and 220 N mm−1 alongside its circumference for the 2 mm indium M-T structure, the 3 mm indium M-T structure, and the Z-shaped seal structure, respectively. Furthermore, although the torque slightly dropped after the assembly due to the creep relaxation effect, the leak rates of the structure were still lower than 1 × 10−10 Pa m3 s−1 three days after the assembly. The present work is helpful for designing ultra-low leak rate demountable indium seals at cryogenic temperatures and high pressures.
Investigation of phonon modes in 2H-TaX2 (X = S/Se) flakes with electrostatic doping
Authors: Su Tong , Huang Junwei , Wang Qian , Zhang Xi , Zhou Ling , Tang Ming , Zhang Caorong , Yuan Hui , Zhao Weiwei , Wang Zhuo , Yuan Hongtao , Wang Xina
Published: September 2021

Electrostatic doping-assisted phonon softening has been intensively investigated in semiconducting transition metal dichalcogenides (TMDCs), in which strong electron–phonon interactions can be achieved in thin layers. Though electron–phonon coupling plays an important role in structure phase transitions for metallic 2H-TaX2 (X = S, Se), it has been rarely studied under electrostatic doping. Here, the effect of electrostatic doping on the vibrational phonon modes of 2H-TaSe2 and 2H-TaS2 thin films is studied with ionic liquid gating by the electric-double-layer gating technique. Under a gate bias (VG) of 1.5 V, 2H-TaSe2 has a blue shift of 7 cm−1 and a red shift of 3 cm−1 for the in-plane (E2g) and out-of-plane vibration (A1g) modes, respectively, indicating a strong electron–phonon interaction in both intralayer and interlayer. By varying the thickness of the flakes, it has been found that there exists a threshold VG value for the stiffening of the E2g mode and the softening of the A1g mode because of the strong electrostatic screening effect at lower doping density. As the intensity of the E2g mode decreases with VG, an anomalous enhancement of the A1g phonons can be achieved, which is further convinced in TaS2. The asymmetric phonon evolution behavior is very different with that in the semiconducting TMDCs, which may provide useful information for understanding electron–phonon interplay in metallic layer materials.
Islands and current singularities in quasisymmetric toroidal plasmas
Authors: Rodríguez E. , Bhattacharjee A.
Published: September 2021

The presence of current singularities in a quasisymmetric magnetic field is explored. Quasisymmetry is shown effective in isolating Pfirsch–Schlüter singularities, to leading order, to a single magnetic surface resonant with the helicity of the symmetry. The effects of pressure driven currents are analyzed, indicating that exclusion of this surface from the plasma volume reduces the potential opening of islands but does not generally eliminate them completely due to higher order asymmetric geometric effects. These three-dimensional effects are contained in quasisymmetry and indicate the complexity of finding consistent solutions and their potential sensitivity. The δ-function current singularities show a distinct quasisymmetric behavior only when the higher-order Fourier content of B is relevant for the resistive stability parameter DR (not included in leading-order near-axis expansions). In such scenarios, quasisymmetry proves advantageous, both in simplicity and avoidance of amplification by low-order rational surfaces.
The involvement of Pna21 phase in the multiferroic characteristics of La/Lu co-substituted BiFeO3 ceramics
Authors: Chen Jing , Liu Lu , Zhu Xiao Li , Gareeva Z. V. , Zvezdin A. K. , Chen Xiang Ming
Published: September 2021

Rare earth ion (RE)-substitution has been recognized as an effective way for improving multiferroic properties especially for realizing the electric field-controlled magnetism in BiFeO3 ceramics, where the symmetry modulation of R3c-Pna21-Pbnm and unlocking ferromagnetism by destroying the cycloidal spin structure are the key points. In Lu-substituted BiFeO3 ceramics, however, the Pna21 phase is not involved. In the present work, La/Lu co-substitution was investigated to involve the Pna21 phase in BiFeO3 ceramics. The phase transition from R3c to Pna21 occurred with an increase in x, and the mixed structure of R3c, Pna21, and Pbnm phases was determined in Bi0.82−xLaxLu0.18FeO3 ceramics. The greatly enhanced ferroelectric polarization and the switching from antiferromagnetic to the weak ferromagnetic state through the destruction of the cycloidal spin structure were achieved. Subsequently, the direct magnetoelectric coupling coefficient αME up to 2.02 mV/cm Oe was obtained. The increased effective ionic radius of RE in the present ceramics played a key role in involving Pna21 phase in RE-substituted BiFeO3 ceramics, and the critical value was about 0.104 23(2) nm.
Instability mechanisms and intermittency distribution in adverse pressure gradient attached and separated boundary layers
Authors: Samson A. , Naicker Karthik , Diwan Sourabh S.
Published: September 2021

Direct numerical simulation has been carried out on one attached and two separated boundary layer flows (involving small and large separation) under the influence of an adverse pressure gradient. A unified picture of the pre-transitional boundary layer for the three cases has been provided that reveals a “mixed-mode” instability, involving contribution from instability waves and streamwise streaks. A time-frequency analysis of the transitional velocity signals has been performed which shows that as the Reynolds number decreases, the character of the time traces evolves continuously from a “spotty” behavior (exhibiting distinct turbulent spots) for the attached case to a “non-spotty” behavior (involving more “uniform” distribution of turbulent fluctuations in time) for the large-separation case, encompassing the entire spectrum of transition scenarios. The variation of the intermittency factor within the transition zone is seen to compare well with the Narasimha universal intermittency distribution. We find that although the time variation of velocity for large separation is non-spotty (or more “uniform”), the spanwise variation of velocity is spotty, showing a clear clustering of high-wavenumber fluctuations separated by quasi-laminar regions. Thus, all three cases exhibit spottiness in the transition zone with different manifestations. We present a physical cartoon for the transition scenarios for the attached and separated cases, using the ideas of vortex-wall interaction and instability of spanwise vortical structures. We find that concentrated breakdown is exhibited by all the three cases near the transition onset, and the spot breakdown processes are broadly consistent with the postulates underlying the universal intermittency distribution.
Calculated phonon modes, infrared and Raman spectra in orthorhombic α − MoO3 and monolayer MoO3
Authors: Ratnaparkhe Amol , Kumar Radha Santosh , Lambrecht Walter R. L.
Published: September 2021

Orthorhombic α−MoO3 is a layered oxide with various applications and with excellent potential to be exfoliated as a 2D ultra-thin film or monolayer. In this paper, we present a first-principles computational study of its vibrational properties. Our focus is on the zone center modes, which can be measured by a combination of infrared and Raman spectroscopy. The polarization dependent spectra are simulated. Calculations are also performed for a monolayer form in which “double layers” of Mo2O6, which are weakly van der Waals bonded in the α-structure, are isolated. Shifts in phonon frequencies are analyzed.
Assessment of turbulence modeling for massively-cooled turbulent boundary layer flows with transpiration cooling
Authors: Bukva Alexander , Zhang Kevin , Christopher Nicholas , Hickey Jean-Pierre
Published: September 2021

We assess Reynolds-averaged Navier–Stokes (RANS) turbulent closures for the prediction of a turbulent boundary layer with transpiration cooling via comparison with a high-fidelity direct numerical simulation database. This study considers the canonical zero-pressure gradient, flat-plate, turbulent boundary layer over a massively cooled wall, with transpiration cooling. The simulations are conducted at a low-subsonic Mach number and we study two transpiration cooling configurations with uniform and slit injection at various blowing ratios. The DNS and RANS simulation setups are nearly identical. The RANS-based turbulence models perform well in the qualitative estimation of the velocity and thermal boundary layer evolution at low-blowing ratios (F = 0.2 and 0.6%); more significant differences are noted at higher blowing ratios (F=2.0%). The RANS models, especially the Spalart–Allmaras model, over-predict turbulence production near the wall which results in faster growth in the boundary thickness; this error becomes more pronounced at higher blowing ratios. Despite the greater mixing of momentum, the thermal mixing is under-predicted compared to the DNS in the uniform blowing case but over-predicted for the slit case. These results suggest that modeling errors in the temperature distribution due to turbulent thermal flux modeling can be significant even if the velocity is correctly modeled.
Contributions of higher-order proximal distribution functions to solvent structure around proteins
Authors: Yousefi Razie , Lynch Gillian C. , Galbraith Madeline , Pettitt B. Montgomery
Published: September 2021

The proximal distribution function (pDF) quantifies the probability of finding a solvent molecule in the vicinity of solutes. The approach constitutes a hierarchically organized theory for constructing approximate solvation structures around solutes. Given the assumption of universality of atom cluster-specific solvation, reconstruction of the solvent distribution around arbitrary molecules provides a computationally convenient route to solvation thermodynamics. Previously, such solvent reconstructions usually considered the contribution of the nearest-neighbor distribution only. We extend the pDF reconstruction algorithm to terms including next-nearest-neighbor contribution. As a test, small molecules (alanine and butane) are examined. The analysis is then extended to include the protein myoglobin in the P6 crystal unit cell. Molecular dynamics simulations are performed, and solvent density distributions around the solute molecules are compared with the results from different pDF reconstruction models. It is shown that the next-nearest-neighbor modification significantly improves the reconstruction of the solvent number density distribution in concave regions and between solute molecules. The probability densities are then used to calculate the solute–solvent non-bonded interaction energies including van der Waals and electrostatic, which are found to be in good agreement with the simulated values.
Diet of Petaurus breviceps (Marsupialia: Petauridae) in a mosaic of coastal woodland and heath.
Authors: Howard J.L.
Published: September 2021

Diet of Petaurus breviceps in a coastal woodland and heath mosaic was assessed by timed feeding observations and qualitative faecal analysis. Feeding at banksia and eucalypt flowers was the most observed foraging behaviour. Faeces contained abundant pollen. The pattern of foraging closely followed changes in patterns of flowering in the area because P. breviceps regularly visited flowers for nectar and pollen. It fed at a faster rate per flower when foraging on eucalypts, but had a high number of inter-plant movements when foraging on banksias. Seventy-one per cent of Eucalyptus gummifera trees were incised to obtain sap. Values obtained for sap flow showed that incised trees exuded more sap than non-incised ones. Gum was abundant at Jervis Bay, and sap may be utilised when nectar is abundant.
Survival of pouch young and juvenile bandicoots, Isoodon macrourus (Marsupialia: Peramelidae), in captivity.
Authors: Gemmell R.T.
Published: September 2021

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