bluuebunny/crossref_metadata_2025 huggingface dataset:
Cultural diversity and wisdom of crowds are mutually beneficial and evolutionarily stable
Authors: de Courson Benoît , Fitouchi Léo , Bouchaud Jean-Philippe , Benzaquen Michael
Published: August 2021

The ability to learn from others (social learning) is often deemed a cause of human species success. But if social learning is indeed more efficient (whether less costly or more accurate) than individual learning, it raises the question of why would anyone engage in individual information seeking, which is a necessary condition for social learning’s efficacy. We propose an evolutionary model solving this paradox, provided agents (i) aim not only at information quality but also vie for audience and prestige, and (ii) do not only value accuracy but also reward originality—allowing them to alleviate herding effects. We find that under some conditions (large enough success rate of informed agents and intermediate taste for popularity), both social learning’s higher accuracy and the taste for original opinions are evolutionarily-stable, within a mutually beneficial division of labour-like equilibrium. When such conditions are not met, the system most often converges towards mutually detrimental equilibria.
Plastic deformation of synthetic quartz nanopillars by nanoindentation for multi-scale and multi-level security artefact metrics
Authors: Ito Shunya , Omori Toshiyuki , Ando Masao , Yamazaki Hiroyuki , Nakagawa Masaru
Published: August 2021

Individual authentication using artefact metrics has received increasing attention, as greater importance has been placed on the security of individual information. These artefact metrics must satisfy the requirements of individuality, measurement stability, durability, and clone resistance, in addition to possessing unique physical features. In this study, we proposed that nanostructures of synthetic quartz (SQ) deposited on an SQ plate may provide sophisticated artefact metrics if morphological changes could be intentionally introduced into the SQ nanostructures at certain positions. We fabricated SQ nanopillars using a mass-production method (ultraviolet nanoimprint lithography) and investigated their mechanical deformation using nanoindentation with a spheroid diamond tip through a loading and unloading cycle. The SQ nanopillars with an aspect ratio of 1 (i.e., diameters D of 100 and 200 nm with corresponding heights H of 100 and 200 nm, respectively) could be plastically deformed without collapsing within a specified pillar-array format at programmed positions. The plastically deformed SQ nanopillar arrays demonstrated multi-scale (sub-millimetre, micrometre, and nanometre) and multi-level (shape, area, diameter, and height) individuality authentication and clone resistance. Because SQ is physically and chemically stable and durable, individuality authentication can be a highly reliable tool on Earth and in space.
Genetic melting pot and importance of long-distance dispersal indicated in the Gladiolus imbricatus L. populations in the Polish Carpathians
Authors: Sutkowska Agnieszka , Mitka Józef , Warzecha Tomasz , Bunk Jakub , Rutkowska Julia , Bathelt Roman
Published: August 2021

The genetic diversity in 11 populations of Gladiolus imbricatus in five mountain ranges, including the Tatra, Pieniny, Gorce, Beskid Niski (Western Carpathians) and Bieszczady Mts (Eastern Carpathians), was studied with inter-simple sequence repeat (ISSR) markers. The species is a perennial plant occurring in open and semi-open sites of anthropogenic origin (meadows and forest margins). We checked a hypothesis on the microrefugial character of the plant populations in the Pieniny Mts, a small calcareous Carpathian range of complicated relief that has never been glaciated. Plant populations in the Tatra and Pieniny Mts had the highest genetic diversity indices, pointing to their long-term persistence. The refugial vs. the non-refugial mountain ranges accounted for a relatively high value of total genetic variation [analysis of molecular variance (AMOVA), 14.12%, p = 0.003]. One of the Pieniny populations was of hybridogenous origin and shared genetic stock with the Tatra population, indicating there is a local genetic melting pot. A weak genetic structuring of populations among particular regions was found (AMOVA, 4.5%, p > 0.05). This could be an effect of the frequent short-distance and sporadic long-distance gene flow. The dispersal of diaspores between the remote populations in the Western Carpathians and Eastern Carpathians could be affected by the historical transportation of flocks of sheep from the Tatra to Bieszczady Mts.
Antibiotic-resistant bacteria, antibiotic resistance genes, and antibiotic residues in wastewater from a poultry slaughterhouse after conventional and advanced treatments
Authors: Savin Mykhailo , Alexander Johannes , Bierbaum Gabriele , Hammerl Jens Andre , Hembach Norman , Schwartz Thomas , Schmithausen Ricarda Maria , Sib Esther , Voigt Alexander , Kreyenschmidt Judith
Published: August 2021

Slaughterhouse wastewater is considered a reservoir for antibiotic-resistant bacteria and antibiotic residues, which are not sufficiently removed by conventional treatment processes. This study focuses on the occurrence of ESKAPE bacteria (Enterococcus spp., S. aureus, K. pneumoniae, A. baumannii, P. aeruginosa, Enterobacter spp.), ESBL (extended-spectrum β-lactamase)-producing E. coli, antibiotic resistance genes (ARGs) and antibiotic residues in wastewater from a poultry slaughterhouse. The efficacy of conventional and advanced treatments (i.e., ozonation) of the in-house wastewater treatment plant regarding their removal was also evaluated. Target culturable bacteria were detected only in the influent and effluent after conventional treatment. High abundances of genes (e.g., blaTEM, blaCTX-M-15, blaCTX-M-32, blaOXA-48, blaCMY and mcr-1) of up to 1.48 × 106 copies/100 mL were detected in raw influent. All of them were already significantly reduced by 1–4.2 log units after conventional treatment. Following ozonation, mcr-1 and blaCTX-M-32 were further reduced below the limit of detection. Antibiotic residues were detected in 55.6% (n = 10/18) of the wastewater samples. Despite the significant reduction through conventional and advanced treatments, effluents still exhibited high concentrations of some ARGs (e.g., sul1, ermB and blaOXA-48), ranging from 1.75 × 102 to 3.44 × 103 copies/100 mL. Thus, a combination of oxidative, adsorptive and membrane-based technologies should be considered.
Agonistic experience during development establishes inter-individual differences in approach-avoidance behaviour of crickets
Authors: Balsam Julia S. , Stevenson Paul A.
Published: August 2021

Members of numerous animal species show consistent inter-individual differences in behaviours, but the forces generating animal “personality” or individuality remain unclear. We show that experiences gathered solely from social conflict can establish consistent differences in the decision of male crickets to approach or avoid a stimulus directed at one antenna. Adults isolated for 48 h from a colony already exhibit behavioural differences. Prior to staging a single dyadic contest, prospective winners approached the stimulus whereas prospective losers turned away, as they did also after fighting. In contrast, adults raised as nymphs with adult males present but isolated from them as last instar nymphs, all showed avoidance. Furthermore, adults raised without prior adult contact, showed no preferred directional response. However, following a single fight, winners from both these groups showed approach and losers avoidance, but this difference lasted only one day. In contrast, after 6 successive wins or defeats, the different directional responses of multiple winners and losers remained consistent for at least 6 days. Correlation analysis revealed examples of consistent inter-individual differences in the direction and magnitude of turning responses, which also correlated with individual aggressiveness and motility. Together our data reveal that social subjugation, or lack thereof, during post-embryonic and early adult development forges individuality and supports the notion of a proactive–reactive syndrome in crickets.
Immunoglobulin subtype-coated bacteria are correlated with the disease activity of inflammatory bowel disease
Authors: Masu Yutaro , Kanazawa Yoshitake , Kakuta Yoichi , Shimoyama Yusuke , Onodera Motoyuki , Naito Takeo , Moroi Rintaro , Kuroha Masatake , Kimura Tomoya , Shiga Hisashi , Kinouchi Yoshitaka , Masamune Atsushi
Published: August 2021

Immune response involving various immunoglobulin (Ig) isotypes and subtypes to microbiome is involved in the pathogenesis and disease activity of inflammatory bowel diseases (IBDs). To clarify the presence of Ig-coated bacteria in the intestine and its association with disease activity in ulcerative colitis (UC) and Crohn’s disease (CD), we extracted and classified Ig-coated bacteria from fecal samples of 42 patients with IBD and 12 healthy controls (HCs) using flow cytometry and 16S ribosomal RNA sequence analysis. The percentage of bacteria coated with IgA and IgM was higher in patients with IBD than in HCs, and IgG-coated bacteria were found only in patients with IBD. Moreover, the percentages of bacteria coated with IgG1, IgG2, IgG3, and IgM in UC samples and IgG3, IgG4, and IgM in CD samples were correlated with disease activities. The proportions of Bacteroides ovatus and Streptococcus increased during the active phase of CD. Hence, the detailed analysis of Ig-coated bacteria and Ig subtypes using flow cytometry could aid in developing useful indicators of disease activity and identifying more disease-related bacteria, which could become novel treatment targets for IBDs.
iCOVID: interpretable deep learning framework for early recovery-time prediction of COVID-19 patients
Authors: Wang Jun , Liu Chen , Li Jingwen , Yuan Cheng , Zhang Lichi , Jin Cheng , Xu Jianwei , Wang Yaqi , Wen Yaofeng , Lu Hongbing , Li Biao , Chen Chang , Li Xiangdong , Shen Dinggang , Qian Dahong , Wang Jian
Published: August 2021

Most prior studies focused on developing models for the severity or mortality prediction of COVID-19 patients. However, effective models for recovery-time prediction are still lacking. Here, we present a deep learning solution named iCOVID that can successfully predict the recovery-time of COVID-19 patients based on predefined treatment schemes and heterogeneous multimodal patient information collected within 48 hours after admission. Meanwhile, an interpretable mechanism termed FSR is integrated into iCOVID to reveal the features greatly affecting the prediction of each patient. Data from a total of 3008 patients were collected from three hospitals in Wuhan, China, for large-scale verification. The experiments demonstrate that iCOVID can achieve a time-dependent concordance index of 74.9% (95% CI: 73.6-76.3%) and an average day error of 4.4 days (95% CI: 4.2-4.6 days). Our study reveals that treatment schemes, age, symptoms, comorbidities, and biomarkers are highly related to recovery-time predictions.
Threshold concentration and random collision determine the growth of the huntingtin inclusion from a stable core
Authors: Pei Sen , Swayne Theresa C. , Morris Jeffrey F. , Emtage Lesley
Published: August 2021

The processes underlying formation and growth of unfolded protein inclusions are relevant to neurodegenerative diseases but poorly characterized in living cells. In S. cerevisiae, inclusions formed by mutant huntingtin (mHtt) have some characteristics of biomolecular condensates but the physical nature and growth mechanisms of inclusion bodies remain unclear. We have probed the relationship between concentration and inclusion growth in vivo and find that growth of mHtt inclusions in living cells is triggered at a cytoplasmic threshold concentration, while reduction in cytoplasmic mHtt causes inclusions to shrink. The growth rate is consistent with incorporation of new material through collision and coalescence. A small remnant of the inclusion is relatively long-lasting, suggesting that it contains a core that is structurally distinct, and which may serve to nucleate it. These observations support a model in which aggregative particles are incorporated by random collision into a phase-separated condensate composed of a particle-rich mixture.
Phase separation of Epstein-Barr virus EBNA2 protein reorganizes chromatin topology for epigenetic regulation
Authors: Yang Yiting , Ye Xidong , Dai Ranran , Li Zhaoqiang , Zhang Yan , Xue Wei , Zhu Yongchang , Feng Delong , Qin Litao , Wang Xin , Lei Bo , Liao Shixiu , Hao Bingtao
Published: August 2021

Epstein-Barr virus nuclear antigen 2 (EBNA2) is a transactivator of viral and cellular gene expression, which plays a critical role in the Epstein-Barr virus-associated diseases. It was reported that EBNA2 regulates gene expression by reorganizing chromatin and manipulating epigenetics. Recent studies showed that liquid-liquid phase separation plays an essential role in epigenetic and transcriptional regulation. Here we show that EBNA2 reorganized chromatin topology to form accessible chromatin domains (ACDs) of the host genome by phase separation. The N-terminal region of EBNA2, which is necessary for phase separation, is sufficient to induce ACDs. The C-terminal domain of EBNA2 promotes the acetylation of accessible chromatin regions by recruiting histone acetylase p300 to ACDs. According to these observations, we proposed a model of EBNA2 reorganizing chromatin topology for its acetylation through phase separation to explain the mechanism of EBNA2 hijacking the host genome by controlling its epigenetics.
Light-induced Processes in Coordination Cages
Authors: Comerford Thomas , Zysman-Colman Eli , Ward Michael D.
Published: August 2021

Metal/ligand coordination cages provide versatile opportunities for exploitation of useful photophysical properties in self-assembled systems. The metal ions or ligands can themselves be chromophoric and display useful photophysical properties, as in many simpler coordination complexes: but the hollow capsule-like nature of coordination cages means that the binding of guests inside the central cavities adds substantially to the possibilities for functional behaviour, as the guests may themselves be chromophoric or may interact with the array of excited-state chromophores in the cage that surrounds a bound guest. This chapter summarises the rapidly developing field of photoactive coordination cages and their applications in areas from size-/shape-specific sensing of substrates to photoinduced chemical transformations that occur inside the cage cavities.
Reactivity in a Self-assembled Organic Host
Authors: Gaeta Carmine , Talotta Carmen , De Rosa Margherita , La Manna Pellegrino , Soriente Annunziata , Neri Placido
Published: August 2021

The interior of the hexameric resorcinarene capsule can emulate an enzyme pocket: there is enough space to host reagents and to favour bimolecular reactions. The overconcentration effect can lead to a rate acceleration with respect to reactions in the bulk medium. The reactions between molecules forced in the restricted space inside the resorcinarene capsule usually occur with unusual regiochemical and stereochemical outcomes. Consequently, the classic reactivity rules valid in the bulk medium are many times disregarded. Like a natural enzyme, the resorcinarene capsule can work in a selective way with respect to the structural features of reagents and products and can result in a regio-, enantio-, and diastereoselective reaction. Thanks to these properties, the hexameric capsule has been used as cyclase mimicking in order to catalyse terpene cyclisations. In these cases, the capsule pocket shields the carbocationic intermediates by chemical quenching and stabilise them through cation⋯π interactions. The capsular water molecules perform a double catalytic function: (1) they can act as hydrogen-bonding donor groups in catalysis, and (2) they can play a crucial role in Brønsted acid catalysis. Finally, as in natural systems, the catalytic activity of the hexameric capsule can be modulated in the presence of competitive inhibitors, which show high affinities for its internal cavity. All of these aspects are discussed in this chapter.
Catalysis at the Confined Interface of Supramolecular Gels
Authors: Martí-Centelles R. , Escuder B.
Published: August 2021

Supramolecular gels, formed by the self-assembly of low-molecular-weight compounds, are unique materials for the application in catalysis. They are synthetically simple and easy to prepare by a self-instructed bottom-up process achieving a high efficiency from an atom economy point of view. The catalytic groups are added at the molecular level and displayed at the supramolecular level with a precision dictated by their self-assembly mechanism. Then, arrays of functional groups can be located in close proximity, and cooperative catalytic features may emerge. Moreover, the combination of several gelators in a multicomponent gel allows it to mimic more precisely enzyme-active sites and perform cascade reactions in one pot. Remarkably, supramolecular gels have aspects of both heterogeneous and homogeneous materials. Their high solvent compatibility and porosity make them different from other simple solid-supported catalysts. In addition, nanoscale dimensions lead to a high internal surface area available for catalysis. Here we give an insight into the potential of supramolecular gels in catalysis, which is still scarcely developed and extends to the fields of applied materials science, biomimetic chemistry and systems chemistry, amongst others.
Catalysis in Confined Space: Relationship Between Metal–Organic Frameworks and Discrete Coordination Cages
Authors: Pullen S. , Clever G. H.
Published: August 2021

Metal–organic frameworks (MOFs) and supramolecular coordination cages (SCCs) have generated increasing interest for catalysis applications. In this chapter, we discuss design strategies for functional MOFs and SCCs. How can catalysts be introduced? What kind of catalysis can be performed with these materials? What are the main differences and similarities between MOFs and discrete SCCs, and what can these fields learn from each other?
Solid/Gas Reactivity of Organometallic Species in Confined Spaces
Authors: Videa Hellen , Martínez-Martínez Antonio J.
Published: August 2021

This chapter considers the chemistry of organometallic compounds in confined spaces in the solid-state. When organometallic species are confined in the solid-state, they are exposed to the constraints of the host framework that influences their stability and reactivity. These conditions provide an extraordinary microenvironment in the solid-state that allows reactivity that often cannot be reproduced in the bulk solvent. Here, we describe selected examples of solid/gas reactivity of transition metal complexes in the solid-state with the focus on describing single-crystal-to-single-crystal transformations of cationic organometallic species hosted in non-covalent anionic frameworks. We provide a general overview on the supramolecular features that can be observed at organometallic guest–host aggregates in the solid-state, with special emphasis on analysing the hydrogen and halogen bonding networks of the microenvironment and gas transport through the crystal structures. We also detail the solid/gas reactivity and catalysis (ligand exchange, alkane dehydrogenation, alkene isomerisation) that can be observed at the confined organometallic species in the solid-state.
Atomically Precise Metal Clusters in Confined Spaces of Metal–Organic Frameworks
Authors: Armentano D. , Pardo E.
Published: August 2021

Herein, experimental developments in the construction of various well defined small aggregations of metal atoms, close to or within the sub-nanometric regime, so-called metal nanoclusters (MNCs), are summarized. In particular, the discussion is focussed on the use of metal–organic frameworks (MOFs) – an emerging type of porous functional materials capable of acting as vessels or as chemical nanoreactors to template the growth of atomically precise nanoclusters – for application in heterogeneous catalysts, with a particular focus on how the MOFs surface engineering, morphology control, composition manipulation and support effect can tune their nuclearity/size and catalytic performance. Compared to regular nanoparticles, which are somewhat polydisperse, atomically precise nanoclusters are molecularly pure, ultra small nanoparticles (from sub-nanometre to 2 nm) and exhibit strong quantum confinement effects due to ultra small sizes. We will show that, despite the increasing number of reports on MNCs, their crystallographic characterization is still highly challenging. Indeed, cases of crystallographically solved atomic structures – which are of critical importance in order to shed light on supramolecular host–guest interactions – are still scarce. Structural awareness is mandatory to further enhance the efficiency of current heterogeneous catalysts and pave the way for future design of more advanced catalysts with mechanistic understanding of catalytic reactions, especially at the atomic scale.
Interfacial processes in electrochemical energy systems
Authors: Wang Maoyu , Feng Zhenxing
Published: August 2021

The processes (e.g., electron transfer, ion transfer and molecule adsorption/desorption) at electrode–electrolyte interfaces in electrochemical energy systems can lead to different types of interfacial changes.
A facilely-synthesized polyanionic cathode with impressive long-term cycling stability for sodium-ion batteries
Authors: Li Jie , Qi Yuruo , Xiao Fangyuan , Bao Shujuan , Xu Maowen
Published: August 2021

Nanoflower-like Na0.5VOPO4·2H2O exhibits excellent cycling performance, superior reaction kinetics and highly reversible evolution as a cathode material for sodium-ion batteries.
Rh(iii)-Catalyzed and synergistic dual directing group-enabled redox-neutral [3+3] annulation of N-phenoxyacetamides with α-allenols
Authors: Chen Fangyuan , Tang Junyuan , Wei Yinhui , Tian Jingyuan , Gao Hui , Yi Wei , Zhou Zhi
Published: August 2021

An efficient Rh(iii)-catalyzed and synergistic dual directing group-enabled C–H activation/[3+3] annulation has been realized for the assembly of 4-alkylidene chroman-2-ols by employing α-allenols as innovative three-carbon annulation components.
Nucleophilic radiosynthesis of boron neutron capture therapy-oriented PET probe [18F]FBPA using aryldiboron precursors
Authors: He Jing , Yan Heng , Du Yanrong , Ji Yan , Cai Fei , Fan Wenbin , Huo Li , Liu Yuan-Hao , Wang Zheng , Li Shihong
Published: August 2021

A reliable copper-mediated nucleophilic radiosynthesis of the BNCT-oriented PET probe [18F]FBPA was developed using novel aryldiboron precursors.
Diastereoselective trifunctionalization of pyridinium salts to access structurally crowded azaheteropolycycles
Authors: Cui Zhaohui , Zhang Kuan , Gu Lijie , Bu Zhanwei , Zhao Junwei , Wang Qilin
Published: August 2021

A highly diastereoselective dearomative trifunctionalization of pyridinium salts with multifunctional o-hydroxy aromatic azomethine ylides has been established to assemble challenging and architecturally crowded fused pentacycles.
A tumor-cell biomimetic nanoplatform embedding biological enzymes for enhanced metabolic therapy
Authors: Ji Ping , Wang Tian-Yang , Luo Guo-Feng , Chen Wei-Hai , Zhang Xian-Zheng
Published: August 2021

A tumor cell membrane-camouflaged therapeutic system was elaborately developed for disturbing the energy supply of tumor cells and carrying out tumor-targeted metabolic therapy.
An Ir3L2 complex with anion binding pockets: photocatalytic E–Z isomerization via molecular recognition
Authors: Sunohara Haruka , Koyamada Kenta , Takezawa Hiroki , Fujita Makoto
Published: August 2021

A photoactive Ir3L2 complex with anion recognition pockets was synthesized by self-assembly. The complex selectively activated an anionic styrene derivative toward E–Z isomerization.
Separating a linear C5 hydrocarbon from a branched C6 hydrocarbon: n-pentane from 2,2-dimethyl butane using levitation and blow torch effects
Authors: Nag Shubhadeep , Maiti Prabal K. , Yashonath Subramanian
Published: August 2021

A mixture of n-pentane and 2,2-dimethyl butane can be separated to a very high purity using zeolite NaY. This can be achieved by a judicious combination of levitation and blow torch effects. The separation uses very little energy.
Benchmarking dispersion-corrected DFT methods for the evaluation of materials with anisotropic properties: structural, electronic, dielectric, optical and vibrational analysis of calcite (CaCO3, space group R3̄c)
Authors: Ulian Gianfranco , Moro Daniele , Valdrè Giovanni
Published: August 2021

We report structural, electronic, dielectric, optical and vibrational properties of calcite calculated using Density Functional Theory simulations including long-range (van der Waals) interactions, which are fundamental for this kind of analysis.
First-principles study of strain effect on the thermoelectric properties of LaP and LaAs
Authors: Lin Chia-Min , Chen Wei-Chih , Chen Cheng-Chien
Published: August 2021

The thermoelectric figure of merit ZT value of quantum materials lanthanum monopnictides can be boosted to ZT > 2 by isotropic strain at high temperature.
Investigation of vanadia–alumina catalysts with solid-state NMR spectroscopy and DFT
Authors: Papulovskiy Evgeniy , Shubin Aleksandr A. , Lapina Olga B.
Published: August 2021

VOx particles on alumina at low vanadium content were theoretically studied, their 51V NMR parameters were predicted, and an ODH reaction was simulated.
Cysteinyl radicals in chemical synthesis and in nature
Authors: McLean Joshua T. , Benny Alby , Nolan Mark D. , Swinand Glenna , Scanlan Eoin M.
Published: August 2021

An overview of the unique reactivity of cysteinyl radical intermediates in both chemical synthesis and biological systems is provided, with a critical focus on mechanistic details.
Electrochemistry of redox-active molecules confined within narrow carbon nanotubes
Authors: Jordan Jack W. , Townsend William J. V. , Johnson Lee R. , Walsh Darren A. , Newton Graham N. , Khlobystov Andrei N.
Published: August 2021

Entrapment of molecules within carbon nanotubes allows investigation of their redox properties in confinement, leading to materials with high electrochemical activity and durability, and with their electrochemical properties at nanoscale still to be fully understood.
Theoretical insight into the deoxygenation molecular mechanism of butyric acid catalyzed by a Ni12P6 cluster
Authors: Fu Shuai , Wang Zhao-Meng , Liu Li-Juan , Liu Ting-Hao , Li Dan , Yang Hua-Qing , Hu Chang-Wei
Published: August 2021

For the deoxygenation of butyric acid catalyzed by Ni12P6 cluster, decreasing temperature is beneficial to butyraldehyde, n-butyl alcohol, and n-butane formation, and increasing temperature is preferable to propylene, propane, and butylene formation.
Polymeric carbon nitride-based photocatalysts for photoreforming of biomass derivatives
Authors: Wang Jiu , Kumar Pawan , Zhao Heng , Kibria Md Golam , Hu Jinguang
Published: August 2021

Chemical and structural modification of carbon nitride for biomass photoreforming.
Fabrication of polyaniline–graphene oxide hybrid nanocomposites by green interfacial polymerization for all-solid-state supercapacitors and enzymatic glucose sensors
Authors: Konwar Gayatri , Deka Jumi , Raidongia Kalyan , Mahanta Debajyoti
Published: August 2021

PANI-GO hybrid nanocomposites by the green interfacial polymerization method for electrochemical capacitors and glucose sensors.
The first report of X-ray characterized organosilatrane-based receptors for the electrochemical analysis of Al3+ ions
Authors: Singh Gurjaspreet , Sharma Sanjay , Singh Akshpreet , Kaur Ranjeet , Pawan  , Mohit  , Rana Shweta , Sahoo Subash Chandra , Kaur Amarjit
Published: August 2021

The electrochemical behaviour of aryl–alkyl ether functionalized organosilatranes has been studied by square wave voltammetry (SWV) using a gold electrode.
Catalytic epoxidation of β-ionone with molecular oxygen using selenium-doped silica materials
Authors: Li Peizi , Cao Kuanhong , Jing Xiaobi , Liu Yonghong , Yu Lei
Published: August 2021

Se-doped silica could catalyze the β-ionone epoxidation reaction. Interestingly, by doping with fluorine in the catalyst, the reaction selectivity was significantly enhanced. The metal-free process is suitable for pharmaceutical synthesis.
Recent trends in nanozymes design: from materials and structures to environmental applications
Authors: Ballesteros Camilo A. S. , Mercante Luiza A. , Alvarenga Augusto D. , Facure Murilo H. M. , Schneider Rodrigo , Correa Daniel S.
Published: August 2021

This review summarizes recent advances on engineered nanostructures possessing enzyme-like activities for applications in environmental monitoring and remediation.
IR linewidth and intensity amplifications of nitrile vibrations report nuclear-electronic couplings and associated structural heterogeneity in radical anions
Authors: Yan Juchao , Wilson Reid W. , Buck Jason T. , Grills David C. , Reinheimer Eric W. , Mani Tomoyasu
Published: August 2021

Quantification of the intensity and linewidth of the ν(CN) IR band in a series of neutral and anionic nitrile-functionalized oligophenylenes reveals that the CN vibration is coupled to nuclear and electronic structural changes.
A novel aggregation-induced enhanced emission aromatic molecule: 2-aminophenylboronic acid dimer
Authors: Li Xiaopei , Wang Dongdong , Zhang Yongjie , Lu Wenqi , Yang Songqiu , Hou Guangjin , Zhao Zhenchao , Qin Haijuan , Zhang Yahui , Li Minmin , Qing Guangyan
Published: August 2021

The 2-APBA dimer tending to aggregate into a highly ordered structure is discovered to be AIEE active. Through alternate treatment with CO2 and N2, 2-APBA can switch between monomer and dimer aggregates driven by dynamic covalent B–N and B–O bonds.
A facile freeze–thaw ultrasonic assisted circulation method of graphite flakes prepared by anode graphite from spent lithium-ion batteries for application in nanofluids
Authors: Qiao Yu , Sheng Wen , He Chen , Yang Bai , Xu Haoxuan , Liu Chenzhen , Rao Zhonghao
Published: August 2021

A facile freeze–thaw ultrasonic assisted circulation method to prepare two-dimensional low-layers graphite by anode graphite from spent LIBs was proposed.
Solid state NMR of membrane proteins: methods and applications
Authors: Yeh Vivien , Bonev Boyan B.
Published: August 2021

Membranes of cells are active barriers, in which membrane proteins perform essential remodelling, transport and recognition functions that are vital to cells. Membrane proteins are key regulatory components of cells and represent essential targets for the modulation of cell function and pharmacological intervention. However, novel folds, low molarity and the need for lipid membrane support present serious challenges to the characterisation of their structure and interactions. We describe the use of solid state NMR as a versatile and informative approach for membrane and membrane protein studies, which uniquely provides information on structure, interactions and dynamics of membrane proteins. High resolution approaches are discussed in conjunction with applications of NMR methods to studies of membrane lipid and protein structure and interactions. Signal enhancement in high resolution NMR spectra through DNP is discussed as a tool for whole cell and interaction studies.
Organ-on-chip applications in drug discovery: an end user perspective
Authors: Clapp Naomi , Amour Augustin , Rowan Wendy C. , Candarlioglu Pelin L.
Published: August 2021

Organ-on-chip (OoC) systems are in vitro microfluidic models that mimic the microstructures, functions and physiochemical environments of whole living organs more accurately than two-dimensional models. While still in their infancy, OoCs are expected to bring ground-breaking benefits to a myriad of applications, enabling more human-relevant candidate drug efficacy and toxicity studies, and providing greater insights into mechanisms of human disease. Here, we explore a selection of applications of OoC systems. The future directions and scope of implementing OoCs across the drug discovery process are also discussed.
Amplatzer occluders for refractory esophago-respiratory fistulas: a case series
Authors: Belle Arthur , Lorut Christine , Lefebvre Aurélie , Ali Einas Abou , Hallit Rachel , Leblanc Sarah , Bordacahar Benoit , Coriat Romain , Roche Nicolas , Chaussade Stanislas , Barret Maximilien
Published: August 2021

Background and study aims Endoscopic management of esophagorespiratory fistulas (ERF) is challenging and currently available options (stents, double pigtail, endoscopic vacuum therapy) are not very effective. We report the feasibility and efficacy of endoscopic placement of Amplatzer cardiovascular occluders for this indication.

Patients and methods This was a single-center, prospective study (June 2019 to September 2020) of all patients with non-malignant ERF persistent after conventional management with esophageal and/or tracheal stents. The primary outcome was the technical feasibility of Amplatzer placement. Secondary outcomes were clinical success defined by effective ERF occlusion and resolution of respiratory symptoms allowing oral food intake.

Results Endoscopic placement of Amplatzer occluders was feasible in 83 % of patients (5/6), with a 50 % (3/6) clinical success rate at 9 months. The mortality rate was 33 % (2/6).

Conclusions An Amplatzer cardiac or vascular occluder is a feasible and safe treatment option for refractory ERF, with a 50 % short-term clinical success.
A deep learning framework for autonomous detection and classification of Crohnʼs disease lesions in the small bowel and colon with capsule endoscopy
Authors: Majtner Tomáš , Brodersen Jacob Broder , Herp Jürgen , Kjeldsen Jens , Halling Morten Lee , Jensen Michael Dam
Published: August 2021

Background and study aims Small bowel ulcerations are efficiently detected with deep learning techniques, whereas the ability to diagnose Crohnʼs disease (CD) in the colon with it is unknown. This study examined the ability of a deep learning framework to detect CD lesions with pan-enteric capsule endoscopy (CE) and classify lesions of different severity.

Patients and methods CEs from patients with suspected or known CD were included in the analysis. Two experienced gastroenterologists classified anonymized images into normal mucosa, non-ulcerated inflammation, aphthous ulceration, ulcer, or fissure/extensive ulceration. An automated framework incorporating multiple ResNet-50 architectures was trained. To improve its robustness and ability to characterize lesions, image processing methods focused on texture enhancement were employed.

Results A total of 7744 images from 38 patients with CD were collected (small bowel 4972, colon 2772) of which 2748 contained at least one ulceration (small bowel 1857, colon 891). With a patient-dependent split of images for training, validation, and testing, ulcerations were diagnosed with a sensitivity, specificity, and diagnostic accuracy of 95.7 % (CI 93.4–97.4), 99.8 % (CI 99.2–100), and 98.4 % (CI 97.6–99.0), respectively. The diagnostic accuracy was 98.5 % (CI 97.5–99.2) for the small bowel and 98.1 % (CI 96.3–99.2) for the colon. Ulcerations of different severities were classified with substantial agreement (κ = 0.72).

Conclusions Our proposed framework is in excellent agreement with the clinical standard, and diagnostic accuracies are equally high for the small bowel and colon. Deep learning approaches have a great potential to help clinicians detect, localize, and determine the severity of CD with pan-enteric CE.
Safety and effectiveness of endoluminal vacuum-assisted closure for esophageal defects: Systematic review and meta-analysis
Authors: Aziz Muhammad , Haghbin Hossein , Sharma Sachit , Weissman Simcha , Saleem Saad , Lee-Smith Wade , Kobeissy Abdallah , Nawras Ali , Alastal Yaseen
Published: August 2021

Background and study aims Esophageal defects (leaks, fistulas, and perforations) are associated with significant morbidity and mortality. Endoluminal vacuum-assisted closure (EVAC) is a novel intervention that entails the use of sponges in the defect along with negative pressure to achieve granulation tissue formation and healing and has been gaining popularity. We performed a systematic review and pooled analysis of available literature to assess the safety and effectiveness of EVAC for esophageal defects.

Patients and methods We queried PubMed/Medline, Embase, Cochrane, and Web of Science through September 25, 2020 to include all pertinent articles highlighting the safety and effectiveness profile of EVAC for esophageal defects. Pooled rates, 95 % confidence intervals (CIs), and heterogeneity (I2
) were assessed for each outcome.

Results A total of 18 studies with 423 patients were included (mean age 64.3 years and males 74.4 %). The technical success for EVAC was 97.1 % (CI: 95.4 %–98.7 %, I2
 = 0 %). The clinical success was 89.4 % (CI: 85.6 %–93.1 %, I2
 = 36.8 %). The overall all-cause mortality and adverse events (AEs) noted were 7.1 % (CI: 4.7 %–9.5 %, I2
 = 0 %) and 13.6 % (CI: 8.0 %–19.1 %, I2
 = 68.9 %), respectively. The pooled need for adjuvant therapy was 15.7 % (CI: 9.8 %–21.6 %, I2
 = 71.1 %).

Conclusions This systematic review and meta-analysis showed high rates of technical success, clinical success, and low all-cause mortality and AEs using EVAC. Although the technique is a promising alternative, the lack of comparative studies poses a challenge in making definite conclusions regarding use of EVAC compared to other endoscopic modalities, such as clips and stents.
Candidate Psychotropics against SARS – CoV – 2: A Narrative Review
Authors: Khosravi Mohsen
Published: August 2021

Since few therapeutic options are clinically accessible for coronavirus disease 2019 (COVID-19), effective, safe, and globally available pharmaceuticals need to be urgently developed to prevent severe acute respiratory syndrome-related coronavirus 2 (SARS-CoV-2) and alleviate the severity of COVID-19. In this regard, the present paper is intended to provide an extensive review of the clinical and preclinical evidence on the psychotropics’ anti-SARS-CoV-2 effects, giving an insight into their potential applications for patients with a proven or high likelihood of COVID-19 pneumonia. The results showed that psychotropic drugs such as melatonin, lithium carbonate, valproate, olanzapine, quetiapine, clozapine, fluoxetine, escitalopram, fluvoxamine, and cannabidiol could help lower the mortality due to SARS-CoV-2 infection. According to these medications’ direct immunomodulatory actions against the destructive cytokine storm, as well as other direct/indirect mechanisms (e. g., the endolysosomal pathway modulation, interactions with specific receptors, and membrane fusion), it was perceived that such drugs could effectively weaken the worsened immune response and avoid adult respiratory distress syndrome and acute lung injury. According to the author’s analysis of the currently available evidence, there is significant support for psychotropics as complementary interventions during SARS-CoV-2 infection. However, further studies need to be carried out to assess the effects of the above psychotropic drugs in vitro and clinical settings.
Oxygen-enriched Air Decreases Ventilation during High-intensity Fin-swimming Underwater
Authors: Möller Fabian , Jacobi Elena , Hoffmann Uwe , Muth Thomas , Schipke Jochen D.
Published: August 2021

Oxygen-enriched air is commonly used in the sport of SCUBA-diving and might affect ventilation and heart rate, but little work exists for applied diving settings. We hypothesized that ventilation is decreased especially during strenuous underwater fin-swimming when using oxygen-enriched air as breathing gas. Ten physically-fit divers (age: 25±4; 5 females; 67±113 open-water dives) performed incremental underwater fin-swimming until exhaustion at 4 m water depth with either normal air or oxygen-enriched air (40% O2) in a double-blind, randomized within-subject design. Heart rate and ventilation were measured throughout the dive and maximum whole blood lactate samples were determined post-exercise. ANOVAs showed a significant effect for the factor breathing gas (F(1, 9)=7.52; P=0.023; η2
p=0.455), with a lower ventilation for oxygen-enriched air during fin-swimming velocities of 0.6 m·s−1 (P=0.032) and 0.8 m·s−1 (P=0.037). Heart rate, lactate, and time to exhaustion showed no significant differences. These findings indicate decreased ventilation by an elevated oxygen fraction in the breathing gas when fin-swimming in shallow-water submersion with high velocity (>0.5 m·s−1). Applications are within involuntary underwater exercise or rescue scenarios for all dives with limited gas supply.
Palladium-Catalyzed Butoxycarbonylation of Polybromo(hetero)arenes: A Practical Method for the Preparation of (Hetero)arenepolycarboxylates and -carboxylic Acids
Authors: Ji Baoming , Wu Weilong , Jing Yongkang , Zhang Deyi , Yan Xianghe , Liang Rong , Lu Zhiqiang
Published: August 2021

The palladium-catalyzed alkoxycarbonylation of polybromo­(hetero)arenes was investigated systematically. The results show that cheap and readily available in situ Pd(OAc)2/rac-BINAP catalyst can catalyze the butoxycarbonylation of various polybromo(hetero)arenes efficiently, and gave (hetero)arenepolycarboxylates with moderate to high yield (59–94%). Using this method, two new compounds, 4,4′-bis(butoxycarbonyl)-1,1′-bi-2-naphthol and dibutyl [2,2′-bipyrimidine]-5,5′-dicarboxylate, are reported for the first time. In addition, the gram-scale preparation of carboxylate and carboxylic acids was successful performed by butoxycarbonylation followed by hydrolysis. This shows the wide scope of substrates and practical applications of the Pd(OAc)2/rac-BINAP catalytic system. Moreover, these carboxylic acids and carboxylates can be used as ligands or structural units to construct MOFs, metal complexes, and COFs etc.
Pitch-side Acute Severe Pain Management Decisions in European Elite
Football
Authors: Doheny Maeve Claire , Bury Gerard
Published: August 2021

This is the first study on acute severe pain management involving sport and
exercise medicine Doctors who are leaders in football medicine in their
respective countries. An online survey was designed describing the management of
acute severe pain in this expert cohort. The survey captured participant sex,
age, years working in sports medicine, core specialty and use of clinical
practice guidelines (CPGs). Finally, three clinical vignettes exploring the
management of acute pain were presented. Forty-four senior team doctors across
55 European countries completed the survey. There were no consistent guidelines
proposed, with 33 (75%) participants indicating they did not use any.
Methoxyflurane was proposed by 14 (32%) and 13 (30%)
participants for female anterior cruciate ligament rupture and male ankle
fracture, respectively. Strong opioids were not used in 17 (39%) and 6
(14%) participants regarding female cruciate injuries and male
fractures, respectively. Despite 75% of participants having paediatric
life support training, eight (18%) participants expressed uncertainty
administering medications in this population, and 15 (34%) would avoid
using strong opioids altogether. There is a tendency to undertreat pain and
avoid strong opioids for reasons including lack of monitoring equipment,
anti-doping concerns and lack of comfort treating paediatric patients with
opioids.
Strategies for the Synthesis of Selenocysteine Derivatives
Authors: Peregrina Jesús M. , Oroz Paula , Avenoza Alberto , Busto Jesús H. , Corzana Francisco , Zurbano María M.
Published: August 2021

β-Seleno-α-amino acids, known as selenocysteine (Sec) derivatives, have emerged as important targets because of their role in chemical biology, not only as part of selenoproteins with important redox properties, but also because of their activity as antivirals or metabolites effective in inhibiting carcinogenesis. In addition, there is demand for this type of compounds due to their use in native chemical ligation to construct large peptides. Therefore, this review summarizes the various synthetic methods that have been published to construct Sec derivatives. Most of them involve the generation of the C–Se bond by nucleophilic substitution reactions, but other reactions such as radical or multicomponent strategies are also reported. Of particular importance is the Se-Michael addition of Se-nucleophiles to chiral bicyclic dehydroalanines, in which the stereogenic center is generated under complete stereocontrol.

1 Introduction

2 Previously Reviewed Synthesis of Sec

3 Retrosynthesis of Sec Derivatives

4 Sec Derivatives by Nucleophilic Substitutions

5 Sec Derivatives by Radical Processes

6 Sec Derivatives by 1,4-Conjugate Additions

7 Conclusion
Simple Synthesis of Complex Amines from the Diels–Alder Adducts of (–)-Cytisine
Authors: Shivanyuk Alexander , Chuyko Alexey , Dolgonos Grygoriy , Fetyukhin Volodymyr , Lukin Oleg
Published: August 2021

The Diels–Alder reaction of N-benzylcytisine with N-methyl- and N-benzylmaleimides is 100% endo-selective and gives the corresponding syn- and anti-diastereomers in 11–42% isolated yields. The studies of the reaction progress with LCMS and NMR along with detailed quantum chemical calculations revealed that some Diels–Alder adducts are kinetically and their isomers are thermodynamically controlled products. The Pd/C-catalyzed hydrogenation of benzyl-protected cytisine amine derivatives resulted in the removal of the benzyl group and the addition of hydrogen to the C=C double bond to give the corresponding secondary amines in 45–84% yield. The complete reduction of carbonyl groups in a cytisine derivative with LiAlH4 in THF under reflux afforded the respective tricyclic triamine. Quantum mechanical calculations for the mechanism of the Diels–Alder reaction between the simplest model compounds are presented.
Mediastinal Lymphadenopathy in Visceral Leishmaniasis
Authors: Rana Surinder Singh , Gupta Nalini , Sharma Ravi , Kumar Pankaj
Published: August 2021

Visceral leishmaniasis (VL) usually presents with malaise, fever, weight loss, and hepatosplenomegaly. Lymphadenopathy is rarely reported in patients with VL from India. We report an interesting case of VL, presenting with malaise, fever and weight loss along with isolated mediastinal lymphadenopathy and mimicked tuberculosis. Absence of spleen because of previous splenectomy for symptomatic portal hypertension led to difficulty in establishing the correct diagnosis that was eventually established by endoscopic ultrasound (EUS)-guided fine-needle aspiration (FNA).
Inadvertent Right Ventricle Perforation by Temporary Pacemaker Lead: A Case Report Requiring Surgical Exploration
Authors: Jangid Surendra , Das Devishree , Choudhury Minati
Published: August 2021

Right ventricle perforation by pacemaker lead is rare but a life-threatening complication. It may present acutely within few hours of pacemaker implantation as hemopericardium, dreaded cardiac tamponade, leading to acute hemodynamic deterioration; even death, if not address immediately. At times, it presents gradually with progressive decline in hemodynamic and requires surgical exploration.

The authors report a case of 51-year old female whose hemodynamic worsens gradually after temporary pacemaker implantation, requiring surgical exploration.