bluuebunny/crossref_metadata_2025 huggingface dataset:
The Blob marine heatwave transforms California kelp forest ecosystems
Authors: Michaud Kristen M. , Reed Daniel C. , Miller Robert J.
Published: October 2022

Ocean warming has both direct physiological and indirect ecological consequences for marine organisms. Sessile animals may be particularly vulnerable to anomalous warming given constraints in food acquisition and reproduction imposed by sessility. In temperate reef ecosystems, sessile suspension feeding invertebrates provide food for an array of mobile species and act as a critical trophic link between the plankton and the benthos. Using 14 years of seasonal benthic community data across five coastal reefs, we evaluated how communities of sessile invertebrates in southern California kelp forests responded to the “Blob”, a period of anomalously high temperatures and low phytoplankton production. We show that this event had prolonged consequences for kelp forest ecosystems. Changes to community structure, including species invasions, have persisted six years post-Blob, suggesting that a climate-driven shift in California kelp forests is underway.
Mechanistic basis of the increased methylation activity of the SETD2 protein lysine methyltransferase towards a designed super-substrate peptide
Authors: Schnee Philipp , Choudalakis Michel , Weirich Sara , Khella Mina S. , Carvalho Henrique , Pleiss Jürgen , Jeltsch Albert
Published: October 2022

Protein lysine methyltransferases have important regulatory functions in cells, but mechanisms determining their activity and specificity are incompletely understood. Naturally, SETD2 introduces H3K36me3, but previously an artificial super-substrate (ssK36) was identified, which is methylated >100-fold faster. The ssK36-SETD2 complex structure cannot fully explain this effect. We applied molecular dynamics (MD) simulations and biochemical experiments to unravel the mechanistic basis of the increased methylation of ssK36, considering peptide conformations in solution, association of peptide and enzyme, and formation of transition-state (TS) like conformations of the enzyme-peptide complex. We observed in MD and FRET experiments that ssK36 adopts a hairpin conformation in solution with V35 and K36 placed in the loop. The hairpin conformation has easier access into the active site of SETD2 and it unfolds during the association process. Peptide methylation experiments revealed that introducing a stable hairpin conformation in the H3K36 peptide increased its methylation by SETD2. In MD simulations of enzyme-peptide complexes, the ssK36 peptide approached TS-like structures more frequently than H3K36 and distinct, substrate-specific TS-like structures were observed. Hairpin association, hairpin unfolding during association, and substrate-specific catalytically competent conformations may also be relevant for other PKMTs and hairpins could represent a promising starting point for SETD2 inhibitor development.
Characterizing COVID-19 waves in urban and rural districts of India
Authors: Pandey Bhartendu , Gu Jianyu , Ramaswami Anu
Published: October 2022

Understanding spatial determinants, i.e., social, infrastructural, and environmental features of a place, which shape infectious disease is critically important for public health. We present an exploration of the spatial determinants of reported COVID-19 incidence across India’s 641 urban and rural districts, comparing two waves (2020–2021). Three key results emerge using three COVID-19 incidence metrics: cumulative incidence proportion (aggregate risk), cumulative temporal incidence rate, and severity ratio. First, in the same district, characteristics of COVID-19 incidences are similar across waves, with the second wave over four times more severe than the first. Second, after controlling for state-level effects, urbanization (urban population share), living standards, and population age emerge as positive determinants of both risk and rates across waves. Third, keeping all else constant, lower shares of workers working from home correlate with greater infection risk during the second wave. While much attention has focused on intra-urban disease spread, our findings suggest that understanding spatial determinants across human settlements is also important for managing current and future pandemics.
cfr and fexA genes in methicillin-resistant Staphylococcus aureus from humans and livestock in the Netherlands
Authors: Schouls Leo M. , Veldman Kees , Brouwer Michael S. M. , Dierikx Cindy , Witteveen Sandra , van Santen-Verheuvel Marga , Hendrickx Antoni P. A. , Landman Fabian , Hengeveld Paul , Wullings Bart , Rapallini Michel , Wit Ben , van Duijkeren Engeline ,   the Dutch MRSA surveillance study group, Maijer-Reuwer A. , Leversteijn-van Hall M. A. , van den Bijllaardt W. , van Mansfeld R. , van Dijk K. , Zwart B. , Diederen B. M. W. , Dorigo-Zetsma J. W. , Notermans D. W. , Ott Certe A. , Ang W. , da Silva J. , Vlek A. L. M. , Buiting A. G. M. , Bode L. , Paltansing S. , van Griethuysen A. J. , den Reijer M. , van Trijp M. J. C. A. , Wong M. , Muller A. E. , van der Linden M. P. M. , van Rijn M. , Debast S. B. , Waar K. , Kolwijck E. , Alnaiemi N. , Schulin T. , Dinant S. , van Mens S. P. , Melles D. C. , Stuart J. W. T. Cohen , Gruteke P. , Overdevest I. T. M. A. , van Dam A. , Maat I. , Maraha B. , Sinnige J. C. , Mattsson E. E. , van Meer M. , Stam A. , de Jong E. , Vainio S. J. , Heikens E. , Steingrover R. , Troelstra A. , Bathoorn E. , Trienekens T. A. M. , van Dam D. W. , de Brauwer E. I. G. B. , Berkhout H.
Published: October 2022

Background

Although the Netherlands is a country with a low endemic level of methicillin-resistant Staphylococcus aureus (MRSA), a national MRSA surveillance has been in place since 1989. In 2003 livestock emerged as a major reservoir of MRSA and currently livestock-associated MRSA (clonal complex CC398) make up 25% of all surveillance isolates. To assess possible transfer of resistant strains or resistance genes, MRSA obtained from humans and animals were characterized in detail.

Methods

The sequenced genomes of 6327 MRSA surveillance isolates from humans and from 332 CC398 isolates from livestock-related samples were analyzed and resistance genes were identified. Several isolates were subjected to long-read sequencing to reconstruct chromosomes and plasmids.

Results

Here we show the presence of the multi-resistance gene cfr in seven CC398 isolates obtained from humans and in one CC398 isolate from a pig-farm dust sample. Cfr induces resistance against five antibiotic classes, which is true for all but two isolates. The isolates are genetically unrelated, and in seven of the isolates cfr are located on distinct plasmids. The fexA gene is found in 3.9% surveillance isolates and in 7.5% of the samples from livestock. There is considerable sequence variation of fexA and geographic origin of the fexA alleles.

Conclusions

The rare cfr and fexA resistance genes are found in MRSA from humans and animals in the Netherlands, but there is no evidence for spread of resistant strains or resistance plasmids. The proportion of cfr-positive MRSA is low, but its presence is worrying and should be closely monitored.
Asymmetric Autocatalysis: The Soai Reaction, an Overview
Authors: Soai Kenso , Kawasaki Tsuneomi , Matsumoto Arimasa
Published: October 2022

Asymmetric autocatalysis of 5-pyrimidyl alkanol, 3-quinolyl alkanol, and 5-carbamoylpyridyl alkanol is described in the enantioselective addition of diisopropylzinc to pyrimidine-5-carbaldehyde, quinoline-3-carbaldehyde, and 5-carbamoylpyridine-3-carbaldehyde, respectively. Significant amplification of enantiomeric excess from extremely low (ca. 0.00005%) ee to near enantiopure >99.5% ee is observed along with the formation of the product. Asymmetric autocatalysis with amplification of ee has been invoked in several theories of the origins of homochirality. Circularly polarized light, chiral inorganic crystals such as quartz, chiral organic crystals composed of achiral compounds such as glycine, spontaneous absolute asymmetric synthesis without the intervention of any chiral factor, and chiral hydrogen (D/H), carbon (13C/12C), nitrogen (15N/14N), and oxygen (18O/16O) isotopomers were found to act as chiral triggers, i.e., the origin of chirality, in asymmetric autocatalysis to afford highly enantioenriched compounds.
Spontaneous Emergence of Chirality in Autocatalytic Cycle Models of the Soai Reaction
Authors: Buhse Thomas , Noble-Terán María E. , Hochberg David , Ribó Josep M. , Micheau Jean-claude
Published: October 2022

The Soai reaction appears as an energy dissipative system thanks both to the typical round-by-round methodology which is an approximation of an open reactor and to the high exergonicity of the reaction of dialkylzinc with the carbaldehyde. It has been found that the high sensitivity of the Soai reaction to any cryptochiral induction, including the stochastic distribution of chiral signs of the fluctuations, is a manifestation of spontaneous mirror-symmetry breaking (SMSB). Its final non-equilibrium stationary state (NESS) cannot have a racemic composition. This bifurcation occurs only if an asymmetric autocatalytic system reaches a critical value of the entropy production. Several models, based on a Frank-like reaction network where enantioselective autocatalysis and mutual inhibition are provided by the involvement of oligomeric intermediates, have been established. However, the structures of the various intermediates and their detailed molecular mechanisms, despite remarkable experimental advances, are still intensely debated.
Pseudopeptidic host adaptation in peptide recognition unveiled by ion mobility mass spectrometry
Authors: Tapia Lucia , Pérez Yolanda , Solà Jordi , Luis Santiago V. , Alfonso Ignacio , Vicent Cristian
Published: October 2022

Complexation of the glutamic–tyrosine–glutamic tripeptide (EYE) with a series of pseudopeptidic cages has been thoroughly investigated using different analytical techniques.
A bioluminescent probe for NQO1 overexpressing cancer cell imagingin vitroandin vivo
Authors: Luo Yuhong , Wang Wentao , Zeng Yi , Wang Shuangqing , Guo Xudong , Hu Rui , Yang Guoqiang
Published: October 2022

A bioluminescent probe NQO1-Luc toward NQO1 was constructed, which exhibits high selectivity and sensitivity toward NQO1in vitroand adequate capability of distinguishing NQO1-overexpressing tumorsin vivo.
From energy to electron transfer photocatalysis (PenT → PET): oxidative cyclobutane cleavage alters the product composition
Authors: Lefarth Jens , Haseloer Alexander , Kletsch Lukas , Klein Axel , Neudörfl Jörg , Griesbeck Axel G.
Published: October 2022

Photocatalytic [2+2]-cycloadditions between enones and electron-rich enol ethers are initiated by triplet–triplet energy transfer. In a consecutive step, photoinduced electron transfer leads to oxidative isomerization of the cyclobutane products.
Isostructural σ-hydrocarbyl phospholide complexes of uranium, neptunium, and plutonium
Authors: Černá Michaela , Seed John A. , Garrido Fernandez Sara , Janicke Michael T. , Scott Brian L. , Whitehead George F. S. , Gaunt Andrew J. , Goodwin Conrad A. P.
Published: October 2022

A bis-phospholide framework allows isolation, structural, and spectroscopic characterisation of isostructural lanthanide, uranium, neptunium, and plutonium σ-bonded hydrocarbyl complexes.
CoS2@TiO2 nanoarray: a heterostructured electrocatalyst for high-efficiency nitrate reduction to ammonia
Authors: Zhao Xian-En , Li Zerong , Gao Shuo , Sun Xuping , Zhu Shuyun
Published: October 2022

CoS2@TiO2 nanoarray performs efficiently for NH3 synthesis via NO3− reduction electrocatalysis, attaining a NH3 yield of 538.21 μmol h−1 cm−2 at −0.7 V and a faradaic efficiency (FE) of 92.80% at −0.5 V vs. RHE in 0.1 M NaOH with 0.1 M NO3−.
De novoasymmetric Achmatowicz approach to oligosaccharide natural products
Authors: Kim Sugyeom , Oiler Jeremy , Xing Yalan , O’Doherty George A.
Published: October 2022

The development and application of thede novoasymmetric synthesis of oligosaccharides from achiral starting materials using the Achmatowicz reaction is reviewed.
Catalyst-free synthesis of tungsten oxide nanowires via thermal evaporation for fast-response electrochromic devices
Authors: Wang Chih-Hao , Yen Hsi-Kai , Yang Shu-Meng , Lu Kuo-Chang
Published: October 2022

Without a catalyst, tungsten oxide nanowires were synthesized, and electrochromic devices from such nanowires with great response time and stability were demonstrated.
Observation of diffuse scattering in scanning helium microscopy
Authors: Lambrick S. M. , Bergin M. , Ward D. J. , Barr M. , Fahy A. , Myles T. , Radić A. , Dastoor P. C. , Ellis J. , Jardine A. P.
Published: October 2022

By studying well defined geometries (microspheres) in scanning helium microscopy (SHeM) the default scattering distribution for technological surfaces in SHeM is found to be diffuse and approximately cosine.
Effects of solvents on the conformational profile of Balaram's peptide: a computational study
Authors: Gomez-Gutierrez Patricia , Rubio-Martinez Jaime , Perez Juan J.
Published: October 2022

The present work reports the results of a computational study aimed at characterizing the conformational profile of the Balaram’s peptide (Ace-Leu-Val-Val-Aib-Gly-Leu-Val-Val-NHMe) in chloroform, dimethyl sulfoxide, methanol and water.
Electrodynamic balance–mass spectrometry reveals impact of oxidant concentration on product composition in the ozonolysis of oleic acid
Authors: Müller Marcel , Mishra Ashmi , Berkemeier Thomas , Hausammann Edwin , Peter Thomas , Krieger Ulrich K.
Published: October 2022

Electrodynamic balance–mass spectrometry measurements reveal how the ozone concentration influences the product composition of oleic acid aerosol droplets.
Surface-enhanced Raman spectroscopy of one and a few molecules of acid 4-mercaptobenzoic in AgNP enabled by hot spots generated by hydrogen bonding
Authors: Marques Flávia C. , Alves Raisa Siqueira , dos Santos Diego Pereira , Andrade Gustavo F. S.
Published: October 2022

The present study reports a direct approach to generate efficient hot spots using a nonresonant molecule bound to the inner part or hot spots that can increase the SERS sensitivity to obtain spectra of one and a few molecules.
Effects of dilution in ionic liquid supercapacitors
Authors: Varner Samuel , Wang Zhen-Gang
Published: October 2022

Dilution in room temperature ionic liquid (RTIL) supercapacitors leads to interesting tricritical phase behavior within the mean-field treatment. The RTIL concentration is a valuable handle for optimizing capacitance and energy storage.
Enantiotropic inconstancy, crystalline solid solutions and co-crystal in the salicylic acid–anthranilic acid system
Authors: Nordstrom Fredrik L , Mohajerani Seyed Sepehr , Linehan Brian , Ricci Francesco
Published: October 2022

T–X phase diagram of salicylic acid–anthranilic acid with three crystalline solid solution phases and a co-crystal, resulting in variable enantiotropic transition temperature and a polymorphic co-existence domain.
Reactive quenching of NO (A2Σ+) with H2O leads to HONO: a theoretical analysis of the reactive and nonreactive electronic quenching mechanisms
Authors: Guardado José L. , Urquilla Justin A. , Kidwell Nathanael M. , Petit Andrew S.
Published: October 2022

In this study, we develop a mechanistic understanding of the pathways for nonreactive and reactive electronic quenching of NO (A2Σ+) with H2O. In doing so, we identify a photochemical mechanism for HONO production in the upper atmosphere.
A computational study on strontium ion modified hydroxyapatite–fibronectin interactions
Authors: Basu Subhadip , Basu Bikramjit , Maiti Prabal K.
Published: October 2022

Effects of strontium-doping on fibronectin adsorption.
Giorgio Benedek: an extraordinary scientist and cultured gentleman
Authors: Bernasconi Marco , Díez Muiño Ricardo , Echenique Pedro Miguel , Manson Joseph R. , Miret-Artés Salvador , Toennies J. Peter
Published: October 2022

A Profile of Giorgio Benedek written by the Guest Editors of this Festschrift themed collection.
Dynamic environment at the Zr6 oxo cluster surface is key for the catalytic formation of amide bonds
Authors: Zhang Yujie , Kokculer Ismail Y. , de Azambuja Francisco , Parac-Vogt Tatjana N.
Published: October 2022

Catalytic formation of amide bonds by a discrete Zr6O8 cluster reveals a dynamic environment on the cluster surface, providing key molecular insights on its intrinsic reactivity for the design of cluster-based and MOF catalysts.
Fe-doped carbonized polymer dot-based fluorescent sensor with “turn-on” property for hydrazine hydrate detection
Authors: Li Pengjun , Li Zili , Miao Xirui , Hou Haoting , Wang Mao , Yang Xudong
Published: October 2022

A novel fluorescent sensor of Fe-doped carbonized polymer dots is designed and manufactured, which exhibits excellent fluorescence properties and stability for the sensitive and selective “turn on” detection of N2H4·H2O.
Novel low-carbon energy solutions for powering emerging wearables, smart textiles, and medical devices
Authors: Ramasubramanian Brindha , Sundarrajan Subramanian , Rao Rayavarapu Prasada , Reddy M. V. , Chellappan Vijila , Ramakrishna Seeram
Published: October 2022

Low CO2emitting energy extraction techniques and their application in healthcare, textile and smart wearables.
High-efficiency electrosynthesis of urea over bacterial cellulose regulated Pd–Cu bimetallic catalyst
Authors: Zhang Shengbo , Geng Jing , Zhao Zhong , Jin Meng , Li Wenyi , Ye Yixing , Li Ke , Wang Guozhong , Zhang Yunxia , Yin Huajie , Zhang Haimin , Zhao Huijun
Published: October 2022

PdCu/CBC exhibited a remarkable Rurea of 763.8 ± 42.8 μg h−1 mgcat.−1 at −0.50 V (vs. RHE) and an exceptional FE of 69.1 ± 3.8% at −0.40 V (vs. RHE). Taking advantage of operando spectroscopy characterization, the C–N coupling mechanism was verified.
The longitudinal association between onion consumption and risk of depressive symptoms: results from the TCLSIH Cohort study and the UK Biobank
Authors: Yang Honghao , Gu Yeqing , Zhang Bei , Meng Ge , Zhang Qing , Liu Li , Wu Hongmei , Zhang Shunming , Zhang Tingjing , Wang Xuena , Zhang Juanjuan , Sun Shaomei , Wang Xing , Zhou Ming , Jia Qiyu , Song Kun , Wang Yaogang , Huang Tao , Niu Kaijun
Published: October 2022

Two large prospective cohorts from China and the UK have firstly demonstrated that habitual onion consumption was associated with a lower risk of depressive symptoms in the general population.
Production of monocyclic aromatic hydrocarbons by segmented in situ and ex situ two-stage coupled catalytic co-pyrolysis of biomass and waste plastics
Authors: Tian Xiaojie , Bian Xinyu , Zeng Zihong , Xu Jiamin , Dai Anqi , Ke Linyao , Zeng Yuan , Wu Qiuhao , Liu Yuhuan , Cobb Kirk , Ruan Roger , Wang Yunpu
Published: October 2022

A segmented in situ and ex situ coupled catalytic co-pyrolysis system was constructed, which is suitable for industrial production.
Multiplexed microfluidic platform for stem-cell derived pancreatic islet β cells
Authors: Goswami Ishan , de Klerk Eleonora , Carnese Phichitpol , Hebrok Matthias , Healy Kevin E.
Published: October 2022

Multiplexed microphysiological system as a high-content, higher throughput device for stem cell-derived β cell culture and drug screening.
Digital manufacturing for accelerating organ-on-a-chip dissemination and electrochemical biosensing integration
Authors: Hernández-Rodríguez Juan F. , López Miguel Ángel , Rojas Daniel , Escarpa Alberto
Published: October 2022

Digital manufacturing enables microfabrication of organ-on-a-chip and electrochemical microfluidic devices to be taken from sophisticated cleanroom facilities to conventional laboratories increasing the accessibility to both technologies.
Copolymer nanocomposites with strong adsorption of exfoliated silicate nanosheets and high-temperature stability
Authors: Wang Dongyin , Chen Changfeng , Ju Fei , Ke Yangchuan
Published: October 2022

The designed copolymer nanocomposites with well exfoliated and dispersed silicate nanosheets, strongly adsorbed on polymer chains.
Helicene-based π-conjugated macrocycles: their synthesis, properties, chirality and self-assembly into molecular stripes on a graphite surface
Authors: Houska Václav , Ukraintsev Egor , Vacek Jaroslav , Rybáček Jiří , Bednárová Lucie , Pohl Radek , Stará Irena G. , Rezek Bohuslav , Starý Ivo
Published: October 2022

The synthesis of helically chiral macrocycles is reported. The mobile stereoisomers self-assemble into long 1D molecular stripes on the HOPG surface, where the trityl groups serve as molecular Velcro.
Chlorophyll: the ubiquitous photocatalyst of nature and its potential as an organo-photocatalyst in organic syntheses
Authors: Banu Saira , Yadav Prem P.
Published: October 2022

The emergence of chlorophyll, the principal photoacceptor of green plants, as an organo-photocatalyst.
Cephalotane-type C20diterpenoids fromCephalotaxus fortuneivar.alpina
Authors: Ge Zhan-Peng , Zhou Bin , Zimbres Flavia M. , Haney Reagan S. , Liu Qun-Fang , Wu Yan , Cassera Maria B. , Zhao Jin-Xin , Yue Jian-Min
Published: October 2022

Seventeen new cephalotane-type diterpenoids were isolated fromCephalotaxus fortuneivar.alpina. Compounds 14 and 15 contain an unusual 7-oxabicyclo[4.1.1]octane moiety.
Polyurethanes based on lignin-derived metabolic intermediate with strong adhesion to metals
Authors: Cheng Ye , Kuboyama Keiichi , Akasaka Shuichi , Araki Takuma , Masai Eiji , Nakamura Masaya , Michinobu Tsuyoshi
Published: October 2022

Polyurethanes based on lignin-derived 2-pyrone-4,6-dicarboxylic acid (PDC) were successfully synthesized in one-pot, and their thermal, mechanical, and adhesive properties were investigated.
First polar quaternary sulphide CsLiGa6S10with mixed ordered alkali cations displaying excellent infrared nonlinear optical properties
Authors: Wang Zi , Liu Bin-Wen , Guo Guo-Cong
Published: October 2022

Incorporating different alkali elements into a diamond-like anionic framework affords the first polar quaternary sulfide with mixed ordered alkali cations, CsLiGa6S10, which acquires a high-performance nonlinear optical material.
Leveraging cognitive resources to investigate the impact of molecular orientation on students’ activation of symmetry resources
Authors: Crandell Olivia M. , Pazicni Samuel
Published: October 2022

This study investigates students’ cognitive resources for identifying symmetry elements using survey data collected from 39 inorganic chemistry students from twelve undergraduate inorganic classes at universities across the United States. We propose a framework that leverages students’ knowledge of symmetry elements as a manifold of cognitive resources that can be productive or unproductive in certain contexts. This cognitive resources framework was paired with an asset-based perspective to advance work in this area beyond a deficit-framed study of “correctness”. Herein, we present findings from a qualitative analysis of the rotation and reflection symmetry elements activated for students by four select molecules. Each molecule was presented in two different static orientations to determine the impact of orientation on students’ cognitive resource activation. Our findings suggest that the orientation of static molecular images impacts the types of resources activated for students. Additionally, this study serves as an example for how to advance assessment of this topic beyond a binary approach (i.e. correct or incorrect).
Heterometallic bond activation enabled by unsymmetrical ligand scaffolds: bridging the opposites
Authors: Govindarajan R. , Deolka Shubham , Khusnutdinova Julia R.
Published: October 2022

Unsymmetrical ligand scaffolds bridging two or more different metals in a site-selective manner offer a convenient approach to utilize metal–metal cooperation for bond activation.
A vending machine for drug-like molecules – automated synthesis of virtual screening hits
Authors: McMillan Angus E. , Wu Wilson W. X. , Nichols Paula L. , Wanner Benedikt M. , Bode Jeffrey W.
Published: October 2022

A compact and operationally simple automation technology can prepare virtual screening hits from a large on-demand library of drug-like molecules.
A room-temperature antiferroelectric in hybrid perovskite enables highly efficient energy storage at low electric fields
Authors: Liu Yi , Xu Haojie , Liu Xitao , Han Shiguo , Guo Wuqian , Ma Yu , Fan Qingshun , Hu Xinxin , Sun Zhihua , Luo Junhua
Published: October 2022

We report a room-temperature molecular AFE, (i-BA)2(FA)Pb2Br7, which shows ultrahigh η of ∼91% at quite low electric fields. This finding will be advantageous to the progress of high energy-storage applications.
Morphologies and dynamics of free surfaces of crystals composed of active particles
Authors: Xu Guoqing , Huang Tao , Han Yilong , Chen Yong
Published: October 2022

We use Brownian dynamics simulations to investigate the surface morphology and dynamics of two-dimensional active crystals during and after growth. Two-stage and three-stage surface roughening at different Péclet numbers are observed.
Achievable fast charge transfer by tuning reasonable solid-electrolyte interphase structures
Authors: Yang Xiang-Sheng , Meng Yan , Xiao Dan
Published: October 2022

In this paper, artificial SEIs with different structures are constructed and the potential relationship among SEI structure, electrode kinetics and electrochemical performance of lithium anode are revealed.
KSb(BeF3)F3: a totally fluorine strategy for achieving wide bandgap and large birefringence
Authors: Dong Xuehua , Long Ying , Huang Ling , Cao Liling , Gao Daojiang , Bi Jian , Zou Guohong
Published: October 2022

A novel fluoroberyllate KSb(BeF3)F3 featuring unique [BeF3]∞− polyanion chains was successfully developed via a totally fluorine strategy, which endows it with a wide bandgap (5.3 eV) and large birefringence (0.11@546 nm).
Strong electron–phonon coupling driven charge density wave states in stoichiometric 1T-VS2 crystals
Authors: Lee Si-Hong , Park Yun Chang , Chae Jinwoong , Kim Gunn , Kim Hyuk Jin , Choi Byoung Ki , Lee In Hak , Chang Young Jun , Chun Seung-Hyun , Jung Minkyung , Seo Jungpil , Lee Sunghun
Published: October 2022

Combining chemical reaction and low-temperature annealing allows to form perfectly stoichiometric 1T-VS2, where multiple charge density wave orders are observed due to strong electron–phonon coupling.
Sequencing batch photocatalytic H2O2 production over a magnetic resorcinol–formaldehyde polymer for on-site water purification by UV light irradiation
Authors: Zhang Jingzhen , Zheng Qian , Chen Chen , Zhang Xiangcheng , Guo Xiaoyan , Long Mingce
Published: October 2022

Photocatalytic H2O2 generation under visible light irradiation over magnetic resorcinol–formaldehyde is coupled with UVC activation for on-site water purification.
Importance of accessibility to the extracellular juxtamembrane stalk region of membrane protein for substrate recognition by viral ubiquitin ligase K5
Authors: Kajikawa Mizuho , Hata Mizuki , Ishimura Maho , Imaizumi Nanae , Kimura Minako , Miyano Kei , Ose Toyoyuki , Asai Daisuke , Ishido Satoshi , Kanamoto Taisei
Published: October 2022

Kaposi's sarcoma-associated herpesvirus (KSHV) is a carcinogenic virus that latently infects B cells and causes malignant tumors in immunocompromised patients. KSHV utilizes two viral E3 ubiquitin ligases, K3 and K5, in KSHV-infected cells to mediate the polyubiquitination-dependent down-regulation of several host membrane proteins involved in the immune system. Although K3 and K5 are members of the same family and have similar structural topologies, K3 and K5 have different substrate specificities. Hence, K5 may have a different substrate recognition mode than K3; however, the molecular basis of substrate recognition remains unclear. Here, we investigated the reason why human CD8α, which is known not to be a substrate for both K3 and K5, is not recognized by them, to obtain an understanding for molecular basis of substrate specificity. CD8α forms a disulfide-linked homodimer under experimental conditions to evaluate the viral ligase-mediated down-regulation. It is known that two interchain disulfide linkages in the stalk region between each CD8α monomer (Cys164–Cys164 and Cys181–Cys181) mediate homodimerization. When the interchain disulfide linkage of Cys181–Cys181 was eliminated, CD8α was down-regulated by K5 with a functional RING variant (RINGv) domain via polyubiquitination at the cytoplasmic tail. Aspartic acid, located at the stalk/transmembrane interface of CD8α, was essential for K5-mediated down-regulation of the CD8α mutant without a Cys181–Cys181 linkage. These results suggest that disulfide linkage near the stalk/transmembrane interface critically inhibits substrate targeting by K5. Accessibility to the extracellular juxtamembrane stalk region of membrane proteins may be important for substrate recognition by the viral ubiquitin ligase K5.
Fundamental roles for inter-organelle communication in aging
Authors: Donahue Eric K. F. , Ruark Elizabeth M. , Burkewitz Kristopher
Published: October 2022

Advances in public health have nearly doubled life expectancy over the last century, but this demographic shift has also changed the landscape of human illness. Today, chronic and age-dependent diseases dominate the leading causes of morbidity and mortality worldwide. Targeting the underlying molecular, genetic and cell biological drivers of the aging process itself appears to be an increasingly viable strategy for developing therapeutics against these diseases of aging. Towards this end, one of the most exciting developments in cell biology over the last decade is the explosion of research into organelle contact sites and related mechanisms of inter-organelle communication. Identification of the molecular mediators of inter-organelle tethering and signaling is now allowing the field to investigate the consequences of aberrant organelle interactions, which frequently seem to correlate with age-onset pathophysiology. This review introduces the major cellular roles for inter-organelle interactions, including the regulation of organelle morphology, the transfer of ions, lipids and other metabolites, and the formation of hubs for nutrient and stress signaling. We explore how these interactions are disrupted in aging and present findings that modulation of inter-organelle communication is a promising avenue for promoting longevity. Through this review, we propose that the maintenance of inter-organelle interactions is a pillar of healthy aging. Learning how to target the cellular mechanisms for sensing and controlling inter-organelle communication is a key next hurdle for geroscience.
The role of UV-DDB in processing 8-oxoguanine during base excision repair
Authors: Nagpal Ashna , Raja Sripriya , Van Houten Bennett
Published: October 2022

Recent data from our laboratory has shown that the nucleotide excision repair (NER) proteins UV-damaged DNA-binding protein (UV-DDB), xeroderma pigmentosum group C (XPC), and xeroderma pigmentosum group A (XPA) play important roles in the processing of 8-oxoG. This review first discusses biochemical studies demonstrating how UV-DDB stimulates human 8-oxoG glycosylase (OGG1), MUTYH, and apurinic/apyrimidinic (AP) endonuclease (APE1) to increase their turnover at damage sites. We further discuss our single-molecule studies showing that UV-DDB associates with these proteins at abasic moieties on DNA damage arrays. Data from cell experiments are then described showing that UV-DDB interacts with OGG1 at sites of 8-oxoG. Finally, since many glycosylases are inhibited from working on damage in the context of chromatin, we present a working model of how UV-DDB may be the first responder to alter the structure of damage containing-nucleosomes to allow access by base excision repair (BER) enzymes.
The Role of Orthography and Phonology in Written Word Recognition: Evidence From Eye-Tracking in the Visual World Paradigm
Authors: Kim Jina , Meyer Lindsey , Hendrickson Kristi
Published: October 2022

Purpose:

There is a long-standing debate about how written words are recognized. Central to this debate is the role of phonology. The objective of this study is to contribute to our collective understanding regarding the role of phonology in written word recognition.

Method:

A total of 30 monolingual adults were tested using a novel written word version of the visual world paradigm (VWP). We compared activation of phonological anadromes (words that are matched for sounds but not letters, e.g.,
JAB-BADGE
) and orthographic anadromes (words that are matched for letters but not sounds, e.g.,
LEG-GEL
) to determine the relative role of phonology and orthography in familiar single-word reading.

Results:

We found that activation for phonological anadromes is earlier, more robust, and sustained longer than orthographic anadromes.

Conclusions:

These results are most consistent with strong phonological theories of single-word reading that posit an early and robust role of phonology. This study has broad implications for larger debates regarding reading instruction.
Exploring the Effects of Literacy Instruction for Children With Cerebral Palsy: A Systematic Review
Authors: Murphy Annemarie , Bailey Benjamin , Arciuli Joanne
Published: October 2022

Purpose:

Some children with cerebral palsy (CP) have difficulty acquiring conventional reading and writing skills. This systematic review explores the different types of literacy instruction and their effects on the reading and writing skills of children with CP.

Method:

Relevant studies published between 2000 and 2020 were identified using electronic databases and terms related to CP and literacy. Data on participant characteristics, instruction characteristics, and instruction outcomes were extracted. A standardized measure of effect size was used to quantify reported treatment effects.

Results:

The systematic search identified 2,970 potentially relevant studies, of which 24 met inclusion criteria. These studies included 66 children with CP aged 5–18 years. One of the included studies utilized a group research design, whereas the remaining used single-subject designs. Studies investigated literacy instruction methods designed to teach phonics, sight-word recognition, reading fluency, reading comprehension, spelling, or written expression skills, or multicomponent instruction (instruction methods encompassing three or more of these skills). Most instruction methods were associated with gains in reading and writing skills with medium to large effects; however, our analysis of methodological rigor suggests that these findings need to be interpreted with caution.

Conclusions:

We propose that literacy instruction utilizing evidence-based principles can be effective for children with CP, provided instruction is accessible and allows children to demonstrate and receive feedback on their skills; however, further research is greatly needed. Clinical implications and priorities for future research are discussed.

Supplemental Material:

https://doi.org/10.23641/asha.21357558
Is Loud Music in Fitness Classes a Motivator or Demotivator?
Authors: Kammerer Kathleen , Emanuel Diana C. , Kubitz Karla , Pitts Donna
Published: October 2022

Purpose:

Research has documented hazardous sound levels in group fitness classes; however, perceptions of loud sound by fitness class participants, such as how loud and soft sound impacts motivation, whether participants feel empowered to change sound levels, and how sound impacts motivation compared with other characteristics of fitness classes, has not been examined.

Method:

This study examined online survey responses from 249 participants to gain insights into how music level and other environmental aspects of group fitness classes are perceived by participants.

Results:

Findings indicated nonauditory aspects of fitness classes, such as number of attendees, class schedule, difficulty level, and instructor attitude, tended to have a greater impact on motivation than music level. Participants suggested more control over music selection would improve motivation. Too soft music was perceived as a demotivator more often than too loud music. Participants rarely reported trying to modify the sound environment in fitness classes.

Conclusions:

Findings from this study align with a recent theoretical framework proposed by Welch and Fremaux (2017), called the Conditioning, Adaptation, and Acculturation to Loud Music model, which suggests humans are conditioned to first accept loud music (overcoming natural aversion) and eventually to associate loud music with pleasure. Future research using a modified survey and distributed to large fitness center networks, should be conducted to more fully explore perceptions associated with sound environment in fitness classes.
Forbidden hugs in pandemic times
Authors: Cai Y.-Z. , Pastorello A. , Fraser M. , Wang X.-F. , Filippenko A. V. , Reguitti A. , Patra K. C. , Goranskij V. P. , Barsukova E. A. , Brink T. G. , Elias-Rosa N. , Stevance H. F. , Zheng W. , Yang Y. , Atapin K. E. , Benetti S. , de Boer T. J. L. , Bose S. , Burke J. , Byrne R. , Cappellaro E. , Chambers K. C. , Chen W.-L. , Emami N. , Gao H. , Hiramatsu D. , Howell D. A. , Huber M. E. , Kankare E. , Kelly P. L. , Kotak R. , Kravtsov T. , Lander V. Yu. , Li Z.-T. , Lin C.-C. , Lundqvist P. , Magnier E. A. , Malygin E. A. , Maslennikova N. A. , Matilainen K. , Mazzali P. A. , McCully C. , Mo J. , Moran S. , Newsome M. , Oparin D. V. , Padilla Gonzalez E. , Reynolds T. M. , Shatsky N. I. , Smartt S. J. , Smith K. W. , Stritzinger M. D. , Tatarnikov A. M. , Terreran G. , Uklein R. I. , Valerin G. , Vallely P. J. , Vozyakova O. V. , Wainscoat R. , Yan S.-Y. , Zhang J.-J. , Zhang T.-M. , Zheltoukhov S. G. , Dastidar R. , Fulton M. , Galbany L. , Gangopadhyay A. , Ge H.-W. , Gutiérrez C. P. , Lin H. , Misra K. , Ou Z.-W. , Salmaso I. , Tartaglia L. , Xiao L. , Zhang X.-H.
Published: October 2022

We present an observational study of the luminous red nova (LRN) AT 2021biy in the nearby galaxy NGC 4631. The field of the object was routinely imaged during the pre-eruptive stage by synoptic surveys, but the transient was detected only at a few epochs from ∼231 days before maximum brightness. The LRN outburst was monitored with unprecedented cadence both photometrically and spectroscopically. AT 2021biy shows a short-duration blue peak, with a bolometric luminosity of ∼1.6 × 1041 erg s−1, followed by the longest plateau among LRNe to date, with a duration of 210 days. A late-time hump in the light curve was also observed, possibly produced by a shell-shell collision. AT 2021biy exhibits the typical spectral evolution of LRNe. Early-time spectra are characterised by a blue continuum and prominent H emission lines. Then, the continuum becomes redder, resembling that of a K-type star with a forest of metal absorption lines during the plateau phase. Finally, late-time spectra show a very red continuum (TBB ≈ 2050 K) with molecular features (e.g., TiO) resembling those of M-type stars. Spectropolarimetric analysis indicates that AT 2021biy has local dust properties similar to those of V838 Mon in the Milky Way Galaxy. Inspection of archival Hubble Space Telescope data taken on 2003 August 3 reveals a ∼20 M⊙ progenitor candidate with log (L/L⊙) = 5.0 dex and Teff = 5900 K at solar metallicity. The above luminosity and colour match those of a luminous yellow supergiant. Most likely, this source is a close binary, with a 17–24 M⊙ primary component.
Nonsmooth mean field games with state constraints
Authors: Sadeghi Arjmand Saeed , Mazanti Guilherme
Published: October 2022

In this paper, we consider a mean field game model inspired by crowd motion where agents aim to reach a closed set, called target set, in minimal time. Congestion phenomena are modeled through a constraint on the velocity of an agent that depends on the average density of agents around their position. The model is considered in the presence of state constraints: roughly speaking, these constraints may model walls, columns, fences, hedges, or other kinds of obstacles at the boundary of the domain which agents cannot cross. After providing a more detailed description of the model, the paper recalls some previous results on the existence of equilibria for such games and presents the main difficulties that arise due to the presence of state constraints. Our main contribution is to show that equilibria of the game satisfy a system of coupled partial differential equations, known mean field game system, thanks to recent techniques to characterize optimal controls in the presence of state constraints. These techniques not only allow to deal with state constraints but also require very few regularity assumptions on the dynamics of the agents.
Long-term radionuclide retention in the near field: collaborative R&D studies within EURAD focusing on container optimisation, mobility, mechanisms and monitoring
Authors: Altmaier Marcus , Bertrand Johan , Churakov Sergey , Diomidis Nikitas
Published: October 2022

Within EURAD, targeted collaborative research activities are performed to further deepen understanding regarding the long-term behaviour of key components in the repository near-field, assess specific radionuclide retention processes as well as developing methods for monitoring safety relevant parameters of repository systems. The ambition of the four EURAD Workpackages (WPs) – CONCORD, FUTURE, CORI, MODATS – presented here, is to investigate topics to meet implementation needs and contribute to Safety Cases in Europe at the highest level of scientific excellence. Work is fully integrated into the EURAD concept, emphasizing interactions between different WPs, involvement of End Users, assuring the link to national programmes and contributing to overarching features like Knowledge Management, Training and Education, or European Integration. Comprehensive initial State-of-the-Art reports were prepared by the WPs or currently under development and are available at the EURAD website. The technical/scientific work performed in the four WPs - CONCORD, FUTURE, CORI, MODATS – is discussed in this contribution.
Versorgungsassistentin im OP
Authors: Sum Daniela
Published: October 2022

In unserer Serie „Berufsbilder“ schildert eine 62-jährige Versorgungsassistentin, wie ihr Arbeitsalltag aussieht und welche fachlichen und persönlichen Voraussetzungen für ihre Tätigkeiten wichtig sind.
Gratifikationskrisen, Arbeitsfähigkeit und Wunsch nach
beruflichen Veränderungen – eine Querschnittsstudie bei
Pflegepersonen
Authors: Gräske Johannes , Forbrig Theresa A. , Koppe Louise , Urban Svenja , Neumann Fränze , Boguth Katja
Published: October 2022

Einleitung Seit der Sars-Cov-2 Pandemie haben sich die Arbeitsbedingungen
beruflich Pflegender verschärft. Dies führt zu einem
erhöhten Wunsch, den Beruf zu verlassen. Da Ausstiegsgedanken von
Faktoren wie Arbeitsfähigkeit und dem Verhältnis von Aufwand und
Belohnung beeinflusst werden, soll beides erhoben und in Bezug zum Wunsch des
Berufsausstieges untersucht werden.

Methodik In einer standardisierten, onlinebasierten Querschnittsstudie
wurden Pflegende aus allen Bereichen zu ihrer Arbeitsfähigkeit
(Work-Ability-Index: WAI), dem Verhältnis von Aufwand und Belohnung
(Effort-Reward-Imbalance: ERI-Ratio) sowie dem Wunsch den Beruf zu verlassen
bzw. den*die Arbeitgeber*in zu wechseln, befragt.

Ergebnisse Insgesamt konnten Fragebögen von 2.689 Pflegenden
(durchschnittlich 41,3 Jahre alt, 75,1% weiblich) ausgewertet werden.
Der WAI indiziert eine durchschnittlich gute Arbeitsfähigkeit (37,9
(6,7)). Pflegende erbringen mehr Aufwand als sie Belohnung erfahren (ERI-Ratio
1,7 (0,5)). 38,3% der Pflegenden denken mehrmals monatlich oder
häufiger daran, den Beruf zu verlassen bzw. 30,6% daran, den
Arbeitgeber zu wechseln. Prädiktoren sind WAI (OR 0,881, 95%-CI
0,866; 0,897 bzw. 0,923, 95%-CI 0,908; 0,938) und ERI-Ratio (OR 4,076,
95%-CI 3,224; 5,149 bzw. 4,203, 95%-CI 3,312; 5,334).

Schlussfolgerung Der Einfluss der Arbeitsfähigkeit und insbesondere
der Wahrnehmung von beruflichem Aufwand und erhaltener Belohnung zeigt sich als
einflussnehmend auf den Gedanken an den Berufsausstieg. Dass dem ERI dabei eine
besondere Bedeutung zukommt, zeigen die vorliegenden Ergebnisse. Entsprechend
gilt es zu ergründen, welche Belohnungsfaktoren sich günstig auf
den Berufsverbleib auswirken. Der überdurchschnittliche Anteil an
Pflegenden mit einem akademischen Abschluss kann die Ergebnisse beeinflusst
haben.
Anästhesieverfahren bei einem femoropoplitealen Bypass
Authors: Rasenberger Nicolaus
Published: October 2022

Der femoropopliteale Bypass ist zu einem Standardeingriff in der Gefäßchirurgie geworden. Damit die Operation reibungslos abläuft und einen guten Outcome für den Patienten hat, müssen alle beteiligten Fachdisziplinen eng zusammenarbeiten. Welche baulichen und perioperativen Besonderheiten von Seiten der Anästhesie zu beachten sind, beschreibt unser Autor von der LMU München.
A new biomarker for lung metastasis in non-seminomatous testicular cancer: De Ritis Ratio
Authors: Bozkurt Muammer , Aghalarov Samir , Atci Muhammed Mustafa , Selvi Oguzhan , Canat Halil Lutfi
Published: October 2022

Purpose We aimed to show that the De Ritis Ratio (DRR) may be a new biomarker for lung metastasis in non-seminomatous Testicular Cancers (TC).

Material and Methods Patients who underwent radical orchiectomy due to TC between January 2010 and January 2021 were included in the study. Demographic characteristics, preoperative laboratory and radiological findings and pathological data of the patients were recorded. The DRR was calculated from preoperative peripheral blood analysis.

Results A total of 124 patients with non-seminomatous TC were included. Mean patient age was 30.67±7.45 years, and the mean tumour diameter was 4.69±2.55 cm. 61 patients had T1, 51 had T2, and 12 had T3 disease. 42 of them had lung metastasis; 82 of them had no lung metastasis. The optimal DRR threshold was 1.21 for lung metastasis. [Area Under the Curve (AUC): 0.724 with a sensitivity of 81% and specificity of 74%]. DRR was determined as an independent prognostic factor for lung metastasis in univariate and multivariate analyses (p=0.002).

Conclusions A high preoperative DRR can be used to detect the presence of lung metastases in non-seminomatous TCs.
Acrotrione B, a Prenylated and Highly Oxidized Xanthenoid with Antibacterial and Anti-proliferative Activities from the Roots of Acronychia pedunculata
Authors: Wisetsai Awat , Lekphrom Ratsami , Suebrasri Thanapat , Tontapha Sarawut , Senawong Thanaset , Pudhom Khanitha , Choodej Siwattra , Schevenels Florian T.
Published: October 2022

A new prenylated xanthenoid with a highly oxidized core, acrotrione B (1), together with six previously reported acetophenones (2 – 7), were isolated from the roots of
Acronychia pedunculata. The structures of the isolated compounds were elucidated by thorough analysis of their 1D and 2D NMR spectroscopic data. The relative and absolute
configurations of acrotrione B were determined by electronic circular dichroism (ECD) calculations. Acrotrione B is an unusual, oxidized xanthenoid with a cyclohexadienone core that has not
been previously reported. It thus represents a new skeletal type within the xanthenoid class. Acrotrione B (1) exhibited anti-proliferative activity against Hela
(IC50 = 16.0 µM) and A549 (IC50 = 16.3 µM) cell lines. 5′-Prenylacrovestone (4) and acrovestone (5) were even more potent with IC50 values of
5.1 µM and 0.77 µM, respectively, against Hela cells and 11.8 µM and 1.13 µM, respectively, against A549 cells. Moreover, acrotrione B (1) displayed moderate antibacterial activities
against Staphylococcus aureus, Bacillus cereus, and Bacillus subtilis, with MIC values in the range of 16 – 64 µg/mL. Finally, acropyrone (6) showed a significant
suppression of lipopolysaccharide (LPS) induced NO production in murine macrophage J774.A1 cells (IC50 = 8.9 µM).