bluuebunny/crossref_metadata_2025 huggingface dataset:
Development and prospective validation of COVID-19 chest X-ray screening model for patients attending emergency departments
Authors: Drozdov Ignat , Szubert Benjamin , Reda Elaina , Makary Peter , Forbes Daniel , Chang Sau Lee , Ezhil Abinaya , Puttagunta Srikanth , Hall Mark , Carlin Chris , Lowe David J.
Published: October 2021

Chest X-rays (CXRs) are the first-line investigation in patients presenting to emergency departments (EDs) with dyspnoea and are a valuable adjunct to clinical management of COVID-19 associated lung disease. Artificial intelligence (AI) has the potential to facilitate rapid triage of CXRs for further patient testing and/or isolation. In this work we develop an AI algorithm, CovIx, to differentiate normal, abnormal, non-COVID-19 pneumonia, and COVID-19 CXRs using a multicentre cohort of 293,143 CXRs. The algorithm is prospectively validated in 3289 CXRs acquired from patients presenting to ED with symptoms of COVID-19 across four sites in NHS Greater Glasgow and Clyde. CovIx achieves area under receiver operating characteristic curve for COVID-19 of 0.86, with sensitivity and F1-score up to 0.83 and 0.71 respectively, and performs on-par with four board-certified radiologists. AI-based algorithms can identify CXRs with COVID-19 associated pneumonia, as well as distinguish non-COVID pneumonias in symptomatic patients presenting to ED. Pre-trained models and inference scripts are freely available at https://github.com/beringresearch/bravecx-covid.
Quantifying non-CO2 contributions to remaining carbon budgets
Authors: Jenkins Stuart , Cain Michelle , Friedlingstein Pierre , Gillett Nathan , Walsh Tristram , Allen Myles R.
Published: October 2021

The IPCC Special Report on 1.5 °C concluded that anthropogenic global warming is determined by cumulative anthropogenic CO2emissions and the non-CO2radiative forcing level in the decades prior to peak warming. We quantify this using CO2-forcing-equivalent (CO2-fe) emissions. We produce an observationally constrained estimate of the Transient Climate Response to cumulative carbon Emissions (TCRE), giving a 90% confidence interval of 0.26–0.78 °C/TtCO2, implying a remaining total CO2-fe budget from 2020 to 1.5 °C of 350–1040 GtCO2-fe, where non-CO2forcing changes take up 50 to 300 GtCO2-fe. Using a central non-CO2forcing estimate, the remaining CO2budgets are 640, 545, 455 GtCO2for a 33, 50 or 66% chance of limiting warming to 1.5 °C. We discuss the impact of GMST revisions and the contribution of non-CO2mitigation to remaining budgets, determining that reporting budgets in CO2-fe for alternative definitions of GMST, displaying CO2and non-CO2contributions using a two-dimensional presentation, offers the most transparent approach.
Walking on common ground: a cross-disciplinary scoping review on the clinical utility of digital mobility outcomes
Authors: Polhemus Ashley , Delgado-Ortiz Laura , Brittain Gavin , Chynkiamis Nikolaos , Salis Francesca , Gaßner Heiko , Gross Michaela , Kirk Cameron , Rossanigo Rachele , Taraldsen Kristin , Balta Diletta , Breuls Sofie , Buttery Sara , Cardenas Gabriela , Endress Christoph , Gugenhan Julia , Keogh Alison , Kluge Felix , Koch Sarah , Micó-Amigo M. Encarna , Nerz Corinna , Sieber Chloé , Williams Parris , Bergquist Ronny , Bosch de Basea Magda , Buckley Ellen , Hansen Clint , Mikolaizak A. Stefanie , Schwickert Lars , Scott Kirsty , Stallforth Sabine , van Uem Janet , Vereijken Beatrix , Cereatti Andrea , Demeyer Heleen , Hopkinson Nicholas , Maetzler Walter , Troosters Thierry , Vogiatzis Ioannis , Yarnall Alison , Becker Clemens , Garcia-Aymerich Judith , Leocani Letizia , Mazzà Claudia , Rochester Lynn , Sharrack Basil , Frei Anja , Puhan Milo ,   Mobilise-D
Published: October 2021

Physical mobility is essential to health, and patients often rate it as a high-priority clinical outcome. Digital mobility outcomes (DMOs), such as real-world gait speed or step count, show promise as clinical measures in many medical conditions. However, current research is nascent and fragmented by discipline. This scoping review maps existing evidence on the clinical utility of DMOs, identifying commonalities across traditional disciplinary divides. In November 2019, 11 databases were searched for records investigating the validity and responsiveness of 34 DMOs in four diverse medical conditions (Parkinson’s disease, multiple sclerosis, chronic obstructive pulmonary disease, hip fracture). Searches yielded 19,672 unique records. After screening, 855 records representing 775 studies were included and charted in systematic maps. Studies frequently investigated gait speed (70.4% of studies), step length (30.7%), cadence (21.4%), and daily step count (20.7%). They studied differences between healthy and pathological gait (36.4%), associations between DMOs and clinical measures (48.8%) or outcomes (4.3%), and responsiveness to interventions (26.8%). Gait speed, step length, cadence, step time and step count exhibited consistent evidence of validity and responsiveness in multiple conditions, although the evidence was inconsistent or lacking for other DMOs. If DMOs are to be adopted as mainstream tools, further work is needed to establish their predictive validity, responsiveness, and ecological validity. Cross-disciplinary efforts to align methodology and validate DMOs may facilitate their adoption into clinical practice.
Matrigel 3D bioprinting of contractile human skeletal muscle models recapitulating exercise and pharmacological responses
Authors: Alave Reyes-Furrer Angela , De Andrade Sonia , Bachmann Dominic , Jeker Heidi , Steinmann Martin , Accart Nathalie , Dunbar Andrew , Rausch Martin , Bono Epifania , Rimann Markus , Keller Hansjoerg
Published: October 2021

A key to enhance the low translatability of preclinical drug discovery are in vitro human three-dimensional (3D) microphysiological systems (MPS). Here, we show a new method for automated engineering of 3D human skeletal muscle models in microplates and functional compound screening to address the lack of muscle wasting disease medication. To this end, we adapted our recently described 24-well plate 3D bioprinting platform with a printhead cooling system to allow microvalve-based drop-on-demand printing of cell-laden Matrigel containing primary human muscle precursor cells. Mini skeletal muscle models develop within a week exhibiting contractile, striated myofibers aligned between two attachment posts. As an in vitro exercise model, repeated high impact stimulation of contractions for 3 h by a custom-made electrical pulse stimulation (EPS) system for 24-well plates induced interleukin-6 myokine expression and Akt hypertrophy pathway activation. Furthermore, the known muscle stimulators caffeine and Tirasemtiv acutely increase EPS-induced contractile force of the models. This validated new human muscle MPS will benefit development of drugs against muscle wasting diseases. Moreover, our Matrigel 3D bioprinting platform will allow engineering of non-self-organizing complex human 3D MPS.
PIP2-dependent coupling of voltage sensor and pore domains in Kv7.2 channel
Authors: Pant Shashank , Zhang Jiaren , Kim Eung Chang , Lam Kin , Chung Hee Jung , Tajkhorshid Emad
Published: October 2021

Phosphatidylinositol-4,5-bisphosphate (PIP2) is a signaling lipid which regulates voltage-gated Kv7/KCNQ potassium channels. Altered PIP2 sensitivity of neuronal Kv7.2 channel is involved in KCNQ2 epileptic encephalopathy. However, the molecular action of PIP2 on Kv7.2 gating remains largely elusive. Here, we use molecular dynamics simulations and electrophysiology to characterize PIP2 binding sites in a human Kv7.2 channel. In the closed state, PIP2 localizes to the periphery of the voltage-sensing domain (VSD). In the open state, PIP2 binds to 4 distinct interfaces formed by the cytoplasmic ends of the VSD, the gate, intracellular helices A and B and their linkers. PIP2 binding induces bilayer-interacting conformation of helices A and B and the correlated motion of the VSD and the pore domain, whereas charge-neutralizing mutations block this coupling and reduce PIP2 sensitivity of Kv7.2 channels by disrupting PIP2 binding. These findings reveal the allosteric role of PIP2 in Kv7.2 channel activation.
Homochiral preference of serine octamer in solution and formed by dissociation of large gaseous clusters
Authors: Jordan Jacob S. , Williams Evan R.
Published: October 2021

Homochiral serine octamer is formed in the gas phase by dissociation of heterochiral decamer.
A highly emissive Zn(ii)-pyridyl-benzimidazolyl-phenolato-based chemosensor: detection of H2PO4−via “use” and “throw” device fabrication
Authors: Dey Sunanda , Paul Sukanya , Debsharma Kingshuk , Sinha Chittaranjan
Published: October 2021

A highly emissive Zn(ii)-pyridyl-benzimidazolyl-phenolato-based chemosensor is used in the solution-state and cost-effective ‘on-site’ solid-state contact mode detection of H2PO4−.
Generation of 3D cellular spheroids using DNA modified cell receptors and programmable DNA interactions
Authors: Ganguly Saheli , Roy Shambojit , Goodwin Andrew P. , Cha Jennifer N.
Published: October 2021

Schematic presentation of AMCP based DNA directed 3D spheroid generation.
Phthalocyanine-based photoacoustic contrast agents for imaging and theranostics
Authors: Zheng Bing-De , Ye Jing , Huang Ya-Yan , Xiao Mei-Tian
Published: October 2021

The application of phthalocyanine-based photoacoustic contrast agents for imaging and theranostics in anticancer therapy has attracted increasing attention in recent years. In this minireview, phthalocyanine as contrast agents have been highlighted.
The rovibrational Aharonov–Bohm effect
Authors: Rawlinson Jonathan I. , Fábri Csaba , Császár Attila G.
Published: October 2021

The Aharonov–Bohm effect helps to explain experimentally measurable high-resolution spectra and quantum dynamics of a class of molecules.
Vibrational energy pooling via collisions between asymmetric stretching excited CO2: a quasi-classical trajectory study on an accurate full-dimensional potential energy surface
Authors: Lu Dandan , Chen Jun , Guo Hua , Li Jun
Published: October 2021

QCT calculations revealed that multi-vibrational-quantum processes are significant due to energy flow in the collisional complex formed by enhanced dipole–dipole interaction between asymmetric stretching excited CO2 molecules.
Soft materials as biological and artificial membranes
Authors: Tang Shukun , Davoudi Zahra , Wang Guangtian , Xu Zihao , Rehman Tanzeel , Prominski Aleksander , Tian Bozhi , Bratlie Kaitlin M. , Peng Haisheng , Wang Qun
Published: October 2021

This review focuses on soft materials involved in biological and artificial membranes. The illustration is a conceptual scheme of artificial membranes synthesized by human-made hydrophilic and hydrophobic soft materials.
Improved biocatalytic cascade conversion of CO2 to methanol by enzymes Co-immobilized in tailored siliceous mesostructured cellular foams
Authors: Zezzi do Valle Gomes Milene , Masdeu Gerard , Eiring Patrick , Kuhlemann Alexander , Sauer Markus , Åkerman Björn , Palmqvist Anders E. C.
Published: October 2021

CO2 can be enzymatically reduced to methanol in a cascade reaction involving three enzymes: formate-, formaldehyde- and alcohol dehydrogenase (FateDH, FaldDH, ADH).
Sinter-resistant platinum nanocatalysts immobilized by biochar for alkane hydroisomerization
Authors: Tan Yangchun , Yu Rui , Cheng Jia , Zhao Hao , Du Yanyan , Yao Heliang , Li Jiusheng
Published: October 2021

The supported platinum nanocatalysts synthesized by the first proposed biochar-assisted strategy exhibited excellent catalytic performance and metal stability in n-alkane hydroisomerization.
Dihypoiodites stabilised by 4-ethylpyridine through O–I–N halogen bonds
Authors: Kramer Eric , Yu Shilin , Ward Jas S. , Rissanen Kari
Published: October 2021

Several neutral bis(O–I–N) compounds were synthesised incorporating various dihypoiodites and 4-ethylpyridine, which were characterised in both the solution and solid states.
Influences of sulfonated graphene oxide on gas exchange performance, antioxidant systems and redox states of ascorbate and glutathione in nitrate and/or ammonium stressed-wheat (Triticum aestivum L.)
Authors: Ozfidan-Konakci Ceyda , Yildiztugay Evren , Cavusoglu Halit , Arikan Busra , Elbasan Fevzi , Kucukoduk Mustafa , Turkan Ismail
Published: October 2021

Graphene oxide has unique physiochemical properties and a large surface area.
Humidity reduction by using hetero-layered metal–organic framework nanosheet composites as hygroscopic materials
Authors: Luo Yang-Hui , Wang Cong , Ma Shu-Hua , Jin Xiao-Wei , Zou Ya-Chen , Xu Ke-Xin , Fang Wen-Xia , Zhang Lan , Dong Hui
Published: October 2021

A super hygroscopic material with functionalities of humidity capture, in situ liquefaction, and fast water release triggered by natural sunlight, has been prepared, providing a good strategy for next-generation atmospheric water generators.
Investigating the growth performance, meat quality, immune function and proteomic profiles of plasmal exosomes in Lactobacillus plantarum-treated broilers with immunological stress
Authors: Liu Huawei , Zhao Fan , Zhang Kai , Zhao Jinshan , Wang Yang
Published: October 2021

Exosomes are extracellular membranous nanovesicles that carry functional molecules to mediate cell-to-cell communication.
Gut microbial metabolite urolithin B attenuates intestinal immunity functionin vivoin aging mice andin vitroin HT29 cells by regulating oxidative stress and inflammatory signalling
Authors: Chen Peng , Chen Fuchao , Lei Jiexin , Zhou Benhong
Published: October 2021

Urolithin B (Uro B), one of the major subcategories of urolithins (microbial metabolites) found in various tissues after ellagitannin consumption, has been demonstrated to possess antioxidant and anti-inflammatory effects.
Utilizing preclinical models of genetic diversity to improve translation of phytochemical activities from rodents to humans and inform personalized nutrition
Authors: Iglesias-Carres Lisard , Neilson Andrew P.
Published: October 2021

Mouse models of genetic variation may facilitate translation of phytochemical activities from rodents to humans and inform personalized nutrition.
Rapid classification of soils from different mining areas by laser-induced breakdown spectroscopy (LIBS) coupled with a PCA-based convolutional neural network
Authors: Hao Wenyuan , Hao Xiaojian , Yang Yanwei , Liu Xuanda , Liu Yekun , Sun Peng , Sun Ran
Published: October 2021

The results of this article show that 2D-CNN has great potential in the field of soil recognition and classification combine with LIBS, and provides a new and reliable data processing method for LIBS to classify materials with similar chemical properties.
Proximity-dependent biotin identification (BioID) reveals a dynamic LSD1–CoREST interactome during embryonic stem cell differentiation
Authors: Barnes Claire E. , English David M. , Broderick Megan , Collins Mark O. , Cowley Shaun M.
Published: October 2021

BIO-ID identifies different subsets of proteins associated with the LSD1-CoREST complex during stem cell differentiation.
A disposable electrode modified with metal orthovanadate and sulfur-reduced graphene oxide for electrochemical detection of anti-rheumatic drug
Authors: Rajaji Umamaheswari , Arya Nair J. S. , Chen Shen-Ming , Sandhya K. Y. , Alshgari Razan A. , Jiang Ting-Yu
Published: October 2021

CVO@SRG composite was prepared by a hydrothermal method and the voltammetric measurement of an organic compound.
A combined structural and computational investigation of aminobenzylnaphthol compounds derived from the Betti reaction using valine methyl ester
Authors: Capozzi Maria Annunziata M. , Alvarez-Larena Angel , Piniella Febrer Joan F. , Cardellicchio Cosimo
Published: October 2021

We report CH⋯π interactions in aminobenzylnaphthol compounds that bear halogen atoms and amino acid residues (Hirshfeld surface/de, halogen = chlorine).
Norditerpenoid alkaloids from Aconitum and Delphinium: structural relevance in medicine, toxicology, and metabolism
Authors: Qasem Ashraf M. A. , Zeng Ziyu , Rowan Michael G. , Blagbrough Ian S.
Published: October 2021

This highlight focuses on norditerpenoid alkaloids from Aconitum and Delphinium where their structural differences result in pharmacological diversity that ranges from poisons to drugs.
Two step promotion of a hot tumor immune environment by gold decorated iron oxide nanoflowers and light-triggered mild hyperthermia
Authors: Nicolas-Boluda Alba , Laurent Gautier , Bazzi Rana , Roux Stéphane , Donnadieu Emmanuel , Gazeau Florence
Published: October 2021

Photoactivated Gold decorated iron oxide nanoflowers induce a hot tumor immune microenvironnment in triple negative breast cancer model.
Two-dimensional ferroelasticity and ferroelastic strain controllable anisotropic transport properties in CuTe monolayer
Authors: Ding Xinkai , Gou Gaoyang
Published: October 2021

Based on the transverse thermoelectric effect and the domain-wall motion assisted ferroelastic switching, ferroelastic strain controllable transport properties can be achieved in two-dimensional ferroelastic CuTe monolayers.
Towards machine learning discovery of dual antibacterial drug–nanoparticle systems
Authors: Diéguez-Santana Karel , González-Díaz Humberto
Published: October 2021

Artificial Intelligence/Machine Learning (AI/ML) algorithms may speed up the design of DADNP systems formed by Antibacterial Drugs (AD) and Nanoparticles (NP).
Marrying luminescent Au nanoclusters to TiO2 for visible-light-driven antibacterial application
Authors: Zhu Haiguang , Liu Naiwei , Wang Ziping , Xue Qiang , Wang Qing , Wang Xiaomeng , Liu Yong , Yin Zhengmao , Yuan Xun
Published: October 2021

Marrying highly luminescent Au nanoclusters (NCs) to TiO2 achieves long-lasting yet visible-light-driven antibacterial activity against both Gram-positive and Gram-negative bacteria.
Richness of molecular junction configurations revealed by tracking a full pull-push cycle
Authors: Yelin Tamar , Chakrabarti Sudipto , Vilan Ayelet , Tal Oren
Published: October 2021

Looking at the two sides of the coin: while studies of molecular break junctions typically consider only the pull process of molecular junctions, we show that the push process unveils essential complementary information on the junctions’ structure.
Hydrogen-bonding mediated self-assembly of amphiphilic ABA triblock copolymers into well-defined giant vesicles
Authors: Wang Huiying , Chen Qiang , Geng Zhen , Rao Jingyi , Xiong Bijin , Lortie Frédéric , Bernard Julien , Binder Wolfgang H. , Chen Senbin , Zhu Jintao
Published: October 2021

A straightforward and efficient access towards the generation of well-defined giant vesicles (∼3 μm in diameters), featured by Hydrogen-bonded DAP–DAP dimerization, and the amphiphilic interactions is reported.
Tuning dispersity of linear polymers and polymeric brushes grown from nanoparticles by atom transfer radical polymerization
Authors: Yin Rongguan , Wang Zongyu , Bockstaller Michael R. , Matyjaszewski Krzysztof
Published: October 2021

Molecular weight distribution imposes considerable influence on the properties of polymers, making it an important parameter, impacting morphology and structural behavior of polymeric materials.
Peripherally multi-functionalised metallosupramolecular grids: assembly, decoration, building blocks for dynamic covalent architectures
Authors: Holub Jan , Santoro Antonio , Stadler Mihail-Adrian , Lehn Jean-Marie
Published: October 2021

The sequential assembly of first terminally functionalized bishydrazone ligands followed by their coordination with Zn(ii) metal cations yields peripherally multi-functionalized [2 × 2] grid-type complexes.
Tetramethylurea dimer/lithium salt-based deep eutectics as a novel class of eutectic electrolytes
Authors: Ogawa Hideyuki , Sato Yugo , Mori Hideharu
Published: October 2021

Graphical abstract of our work including structures of tetramethylurea (TMU) dimer and Li salts, and photographs and ion-conductivities of the resulting deep eutectic electrolytes.
Thermodynamics and kinetics in antibody resistance of the 501Y.V2 SARS-CoV-2 variant
Authors: Ngo Son Tung , Nguyen Trung Hai , Pham Duc-Hung , Tung Nguyen Thanh , Nam Pham Cam
Published: October 2021

Increasing FEL minima of 501Y.V2 RBD + antibody in comparison with the WT RBD systems imply that the complex 501Y.V2 RBD + antibody is more unstable than the WT one.
Improved efficiency and stability of flexible perovskite solar cells by a new spacer cation additive
Authors: Zhang Xiaobo , Ma Yang , Chen Xiaoqing , Li Xuhong , Zhou Wencai , Ouedraogo Nabonswende Aida Nadege , Shirai Yasuhiro , Zhang Yongzhe , Yan Hui
Published: October 2021

A new type organic spacer CPHC acts as an adhesive between perovskite grains to improve the efficiency and mechanical stability of flexible perovskite solar cells.
Construction of 1T@2H MoS2 heterostructures in situ from natural molybdenite with enhanced electrochemical performance for lithium-ion batteries
Authors: Peng ChengLong , Shi Mingming , Li Fei , Wang Yang , Liu Xueqin , Liu HuaSheng , Li Zhen
Published: October 2021

Natural molybdenite, an inexpensive and naturally abundant material, can be directly used as an anode material for lithium-ion batteries.
Preparation, characterization of spherical 1,1-diamino-2,2-dinitroethene (FOX-7), and study of its thermal decomposition characteristics
Authors: Zhao Xinhua , He Dan , Ma Xiaoping , Liu Xueying , Xu Zishuai , Chen Lizhen , Wang Jianlong
Published: October 2021

Spherical FOX-7 was produced via a combination of cooling crystallization method and repeated grinding technique, and the crystal morphology, size, structure, and thermal behavior were systematically investigated in detail.
Vinylene-bridged donor–acceptor type porous organic polymers for enhanced photocatalysis of amine oxidative coupling reactions under visible light
Authors: Wu Bang , Jiang Xinyue , Liu Yang , Li Qiu-Yan , Zhao Xinsheng , Wang Xiao-Jun
Published: October 2021

Two vinylene-bridged D–A structural POPs are constructed by the electron-rich triarylamine and electron-deficient tricyanomesitylene, which exhibited highly effective photocatalytic activities for aerobic oxidative coupling of amines to imine.
Poly[2-(dimethylamino)ethyl methacrylate-co-ethylene dimethacrylate]nanogel by dispersion polymerization for inhibition of pathogenic bacteria
Authors: Šálek Petr , Trousil Jiří , Nováčková Jitka , Hromádková Jiřina , Mahun Andrii , Kobera Libor
Published: October 2021

Quaternized 167 nm poly[2-(dimethylamino)ethyl methacrylate-co-ethylene dimethacrylate] nanogel by dispersion polymerization in water/2-methoxyethanol medium induced death of pathogenic Staphylococcus aureus and Acinetobacter baumannii.
One-pot self-assembly preparation of thiol-functionalized poly(3,4-ethylenedioxythiophene) hollow nanosphere/Au composites, and their electrocatalytic properties
Authors: Ali Ahmat , Jamal Ruxangul , Abdiryim Tursun
Published: October 2021

In this work, we developed a thiol-functionalized poly(3,4-ethylenedioxythiophene) hollow sphere (poly(EDOT-MeSH)/Au) polymer through a simple one-pot self-assembly method using polyvinylpyrrolidone (PVP) as a soft template.
Investigation of the exciton relaxation processes in poly(9,9-dioctylfluorene-co-benzothiadiazole):CsPbI1.5Br1.5 nanocrystal hybrid polymer–perovskite nanocrystal blend
Authors: Balena Antonio , Cretí Arianna , Lomascolo Mauro , Anni Marco
Published: October 2021

The emission properties of a hybrid polymer:perovskite nanocrystals (NCs) blend film are investigated, evidencing that the main interaction process is not Förster transfer, but instead bidirectional polymer → NC and NC → polymer charge transfer.
Correction: Comparative study of the extrinsic properties of poly(lactic acid)-based biocomposites filled with talc versus sustainable biocarbon
Authors: Snowdon Michael R. , Wu Feng , Mohanty Amar K. , Misra Manjusri
Published: October 2021

Correction for ‘Comparative study of the extrinsic properties of poly(lactic acid)-based biocomposites filled with talc versus sustainable biocarbon’ by Michael R. Snowdon et al., RSC Adv., 2019, 9, 6752–6761, DOI: 10.1039/C9RA00034H.
Enantioselective palladaelectro-catalyzed C–H olefinations and allylations for N–C axial chirality
Authors: Dhawa Uttam , Wdowik Tomasz , Hou Xiaoyan , Yuan Binbin , Oliveira João C. A. , Ackermann Lutz
Published: October 2021

Enantioselective palladaelectro-catalyzed C–H alkenylations and allylations were achieved by the means of an easily-accessible amino acid for the synthesis of N–C axially chiral indole biaryls.
Artificial transmembrane signal transduction mediated by dynamic covalent chemistry
Authors: Bravin Carlo , Duindam Nol , Hunter Christopher A.
Published: October 2021

Reversible formation of covalent adducts between a thiol and a membrane-anchored Michael acceptor has been used to control the activation of a caged enzyme encapsulated inside vesicles.
Pair distribution function and 71Ga NMR study of aqueous Ga3+ complexes
Authors: Nielsen Ida Gjerlevsen , Sommer Sanna , Dippel Ann-Christin , Skibsted Jørgen , Iversen Bo Brummerstedt
Published: October 2021

With changing pH four different structural regions in Ga3+ aqueous solutions are observed. In contrast the effects of different anions and concentrations are minimal.
Is electrochemical CO2 reduction the future technology for power-to-chemicals? An environmental comparison with H2-based pathways
Authors: Wyndorps Jan , Ostovari Hesam , von der Assen Niklas
Published: October 2021

Minimum development requirements for electrochemical CO2 reduction (eCO2R) to compete against H2-based power-to-chemical pathways.
Sm3+ rare-earth doping in non-noble metal oxide –WO3 grown on carbon cloth fibre as a bifunctional electrocatalyst for high-performance water electrolysis
Authors: Rajalakshmi R. , Viswanathan C. , Ponpandian N.
Published: October 2021

Samarium doped WO3 on carbon fibre as a bifunctional electrocatalyst for electrochemical water splitting.
Preparation of a novel magnetorheological fluid for high temperatures
Authors: Li Haopeng , Chen Fei , Han Mengmeng , Li Aimin , Tian Zuzhi , Wu Xiangfan
Published: October 2021

Magnetorheological fluids, especially those in high-power magnetorheological devices, inevitably work at high temperatures because of the wall slip, energized coils and frictions between particles. The novel magnetorheological fluid for high temperatures can be applied to most magnetorheological devices, especially high-power magnetorheological devices.
Reply to the Comment on “New horizons in photocatalysis: the importance of mesopores for cerium oxide” by A. S. Thill, W. T. Figueiredo, F. O. Lobato, M. O. Vaz, W. P. Fernandes, V. E. Carvalho, E. A. Soares, F. Poletto, S. R. Teixeira and F. Bernardi, J. Mater. Chem. A, 2020, 8, 24752
Authors: Thill Alisson S. , Figueiredo Wallace T. , Lobato Francielli O. , Vaz Mauricio O. , Fernandes Willians P. , Carvalho Vágner E. , Soares Edmar A. , Poletto Fernanda , Teixeira Sérgio R. , Bernardi Fabiano
Published: October 2021

The Ce 3d XPS data were analyzed with different sets of constraints and no significant change was observed both in the trend and in the absolute values of the Ce(iii) fraction reported.
Covalently encapsulating sulfur chains into carbon-rich nanomaterials towards high-capacity and high-rate sodium-ion storage
Authors: Luo Xinying , Ma Linlin , Li Ziye , Zhao Xiaoxian , Dong Yanli , Yang Qi , Liu Huimin , Wang Bin , Zhi Linjie , Xiao Zhichang
Published: October 2021

A bottom-up strategy to covalently encapsulate sulfur chains into carbon-rich nanomaterials is reported, and the optimized material with abundant sulfur chains is demonstrated to be capable of synchronously achieving high-capacity and high-rate sodium-ion storage properties.
A highly efficient organic solar energy-absorbing material based on phthalocyanine derivative for integrated water evaporation and thermoelectric power generation application
Authors: Han Xue , Wang Zuoyu , Shen Meihua , Liu Jing , Lei Yuxi , Li Zhiqiang , Jia Tao , Wang Yue
Published: October 2021

The 4OCSPC solid has a wide absorption range from 300 to 1000 nm and the solar-thermal conversion efficiency is evaluated to be 17.3%, which can attain superior water purification and electricity generation performances.
High-performance dual-ion Zn batteries enabled by a polyzwitterionic hydrogel electrolyte with regulated anion/cation transport and suppressed Zn dendrite growth
Authors: Li Longwei , Zhang Lanshuang , Guo Wenbin , Chang Caiyun , Wang Jing , Cong Zifeng , Pu Xiong
Published: October 2021

We described the fabrication of a novel dual-ion Zn/PANI battery based on a solid-state polyzwitterion hydrogel electrolyte with regulated anion/cation transport and suppressed Zn dendrite growth.
High-throughput fabrication of high aspect ratio Ag/Al nanopillars for optical detection of biomarkers
Authors: Garifullina Ainash , Shen Amy Q.
Published: October 2021

Plasmonic polystyrene nanopillars are fabricated by using anodized aluminum oxide (AAO) membranes as templates, and successfully employed for detection of specific antibodies in the pM range.
Kinetic stability modulation of polymeric nanoparticles for enhanced detection of influenza virus via penetration of viral fusion peptides
Authors: Park Chaewon , Lim Jong-Woo , Park Geunseon , Kim Hyun-Ouk , Lee Sojeong , Kwon Yuri H. , Kim Seong-Eun , Yeom Minjoo , Na Woonsung , Song Daesub , Kim Eunjung , Haam Seungjoo
Published: October 2021

Virus detection is materialized by engineered polymeric nanoparticles as host cell-mimetic decoys and analysis of the kinetic stability of nanoparticles against fusion peptides provides insight into the design of influenza viruses detection system.
Highly efficient carbon dot-based room-temperature fluorescence–phosphorescence dual emitter
Authors: Zhao Biao , Yu Runnan , Xu Kunxiang , Zou Chao , Ma Huanyu , Qu Songnan , Tan Zhan'ao
Published: October 2021

Fluorescence–phosphorescence dual emissive carbon dots are facilely synthesized from hydroxyurea through a one-step solvent-free pyrolysis reaction, with a high photoluminescence quantum yield of 21% and phosphorescence quantum yield of 13%.
Drag forces on porous aggregates in protoplanetary disks
Authors: Schneider Niclas , Wurm Gerhard
Published: October 2021

Context. In protoplanetary disks, particle–gas interactions are a key part of the early stages of pre-planetary evolution. As dust particles grow into porous aggregates, treating drag forces of aggregates in the same way as those of monolithic compact spheres has always been an approximation.

Aims. The substructures and building blocks of aggregates may respond differently to different drag regimes than the overall size of the porous body would suggest. The influence of porosity and substructure size on the drag on porous bodies is studied.

Methods. We measured centimeter-sized porous aggregates with volume filling factors as low as ~10−4 for the first time in low-pressure wind tunnel experiments. Various substructures of different sizes down to micrometer (μm) resolution are tested. Knudsen numbers for the centimeter-sized superstructure are between 0.005 and 0.1 and Reynolds numbers are between 5 and 130.

Results. We find that bodies are subject to increasingly large drag forces with increasing porosity, significantly larger than previously thought. In the parameter range measured, drag can increase by a factor of 23, and extrapolation suggests even larger values. We give an empirically determined model for an adjusted drag force.

Conclusions. Our findings imply that the coupling of highly porous bodies in protoplanetary disks is significantly stronger than assumed in previous works. This decreases collision velocities and radial drift speeds and might allow porous bodies to grow larger under certain conditions before they become compacted.
Les organoïdes hépatiques
Authors: Luce Eléanor , Messina Antonietta , Caillaud Amandine , Si-Tayeb Karim , Cariou Bertrand , Bur Etienne , Dubart-Kupperschmitt Anne , Duclos-Vallée Jean-Charles
Published: October 2021

L’étude et la compréhension de l’organogenèse du foie ont permis le développement de protocoles de différenciation des cellules souches pluripotentes afin de pallier le manque de cellules primaires, offrant ainsi une source quasi illimitée de cellules hépatiques. La différenciation de ces cellules dans des systèmes de culture conventionnels en deux dimensions (2D) ayant cependant montré ses limites, des organoïdes hépatiques ont été dérivés de cellules souches pluripotentes humaines et représentent désormais une alternative prometteuse. Ces structures 3D, complexes et organisées, intégrant un ou plusieurs types cellulaires, permettent de reproduire in vitro une ou plusieurs fonctions de l’organe, et ouvrent ainsi la voie à de nombreuses applications, comme l’étude du développement du foie, la production en masse de cellules hépatiques fonctionnelles pour la transplantation ou le développement de foies bioartificiels, sans oublier la modélisation de pathologies hépatiques permettant le criblage à haut débit de médicaments ou des études de toxicité. Des enjeux économiques et éthiques doivent également être pris en considération avant une utilisation de ces organoïdes pour des applications thérapeutiques.
La fatigue chronique, un symptôme trop souvent négligé
Authors: Trautmann Alain
Published: October 2021

La fatigue aiguë après un effort, comme l’inflammation aiguë après une blessure, sont utiles à notre organisme. En revanche, la fatigue chronique, comme l’inflammation chronique, sont délétères, et elles sont associées dans de nombreuses maladies. Nous analyserons dans cette première partie différents phénomènes immunitaires impliqués dans le déclenchement de l’inflammation chronique. Cette revue vise à proposer des liens entre différents signes et symptômes associés à la fatigue chronique, ainsi qu’entre différentes maladies dans lesquelles peut se manifester une fatigue chronique grave. Des mécanismes possibles, sous-jacents à ces processus, et leurs liens, sont également discutés. Il s’agit ici d’une proposition faite par un chercheur, sans expérience clinique, à des médecins confrontés à une entité qui reste encore largement mystérieuse. L’articulation entre inflammation chronique, neuro-inflammation et fatigue, sera examinée dans une deuxième partie.
Krankenhauszukunftsgesetz: Wenn für den Digitalisierungsschub das Personal fehlt
Authors: Brodbeck Marc-Stefan
Published: October 2021

Im Gesundheitswesen bietet der Einsatz moderner IT-Lösungen enorme Chancen. Gerade dieser Sektor hinkt allerdings beim Digitalisierungsgrad im Branchenvergleich noch hinterher. Abhilfe soll das neue Krankenhauszukunftsgesetz schaffen. Ein Flaschenhals bleibt dabei jedoch nach wie vor: Wie gewinnen Krankenhäuser die dafür erforderlichen technikaffinen Führungskräfte und IT-Spezialisten?
An eigenfunction manifold generated by a family of periodic boundary value problems
Authors: Dymarskii Ya. M. , Bondar’ A. A.
Published: October 2021

An analytic and topological description is given of the manifold of periodic eigenfunctions generated by the space of one-dimensional stationary Schrödinger equations with periodic real potentials. Connections with results due to Neuman, Ince and Uhlenbeck are discussed.

Bibliography: 11 titles.
On the local and boundary behaviour of inverse maps on Riemannian manifolds
Authors: Ilyutko D. P. , Sevost’yanov E. A.
Published: October 2021

Results on the local behaviour of maps between Riemannian manifolds such that their inverses satisfy upper bounds on the distortion of the moduli of families of curves are obtained. For families of such maps theorems on their equicontinuity at interior points and boundary points of the domain are established.

Bibliography: 30 titles.
Topological type of isoenergy surfaces of billiard books
Authors: Vedyushkina V. V.
Published: October 2021

The homeomorphism class of the isoenergy surface of a billiard book, of low complexity and not necessarily integrable, is determined using methods of low-dimensional topology. In particular, a series of billiard books is constructed that realize isoenergy 3-surfaces homeomorphic to the connected sum of a number of lens spaces and direct products

. The Fomenko-Zieschang invariants, which classify Liouville foliations on isoenergy surfaces up to fibrewise homeomorphisms — that is, up to Liouville equivalence of the corresponding integrable Hamiltonian systems — are calculated for several integrable billiards of this type.

Bibliography: 14 titles.
Genome evolution of the psammophyte
Pugionium
for desert adaptation and further speciation
Authors: Hu Quanjun , Ma Yazhen , Mandáková Terezie , Shi Sheng , Chen Chunlin , Sun Pengchuan , Zhang Lei , Feng Landi , Zheng Yudan , Feng Xiaoqin , Yang Wenjie , Jiang Jiebei , Li Ting , Zhou Pingping , Yu Qiushi , Wan Dongshi , Lysak Martin A. , Xi Zhenxiang , Nevo Eviatar , Liu Jianquan
Published: October 2021

Significance

Plants’ adaptations to and divergence in arid deserts have long fascinated scientists and the general public. Here, we present a genomic analysis of two congeneric desert plant species that clarifies their evolutionary history and shows that their common ancestor arose from a hybrid polyploidization, which provided genomic foundations for their survival in deserts. The whole-genome duplication was followed by translocation-based rearrangements of the ancestral chromosomes. Rapid evolution of genes in these reshuffled chromosomes contributed greatly to the divergences of the two species in desert microhabitats during which gene flow was continuous. Our results provide insights into plant adaptation in the arid deserts and highlight the significance of polyploidy-driven chromosomal structural variations in species divergence.
Neogene continental denudation and the beryllium conundrum
Authors: Li Shilei , Goldstein Steven L. , Raymo Maureen E.
Published: October 2021

Significance

Most weathering and denudation proxies are consistent with Cenozoic cooling being a consequence of increased CO
2
removal from the atmosphere by continental silicate weathering. Beryllium isotope ratios in the late Cenozoic seawater have been an exception that has been cited as falsifying this uplift–weathering hypothesis. This study presents a beryllium cycle model that reinterprets the beryllium isotope record and resolves the contradiction between the beryllium records and the other weathering proxies. The results are consistent with increased terrestrial erosion and weathering during the late Cenozoic. These results indicate an important role for geologic processes that compensate for CO
2
removal by continental weathering and prevent runaway cooling, such as enhanced oxidation of organic carbon, pyrite weathering, and/or reduced basalt weathering.
Prediction of unconventional magnetism in doped FeSb
2
Authors: Mazin Igor I. , Koepernik Klaus , Johannes Michelle D. , González-Hernández Rafael , Šmejkal Libor
Published: October 2021

Significance

For many decades, it has been commonly believed that all electronic states of a collinear antiferromagnet (AF) are spin-degenerate, unless the underlying crystal structure lacks centrosymmetry and has spin–orbit coupling. This has been essentially definitional for antiferromagnetism and is widely used experimentally to distinguish ferromagnets from AFs. Recently, it was demonstrated that a new class of magnets, possessing antiferromagnetic order and without net magnetization but showing a typical ferromagnetic response in many aspects, is possible. We predict that

F
e
S
b

2

, which is well known but poorly understood magnetically, is an incipient unconventional magnet of this type and can be pushed to become one by Co or Cr doping. Moreover, the calculated magnetic anisotropy is favorable for exhibiting various anomalous properties.
Phase structures of neutral dense quark matter and applicationto strange stars *
Authors: Xu Shu-Sheng
Published: October 2021

In the contact interaction model, the quark propagator has only one solution, namely, the chiral symmetry breaking solution, at vanishing temperature and density in the case of physical quark mass. We generalize the condensate feedback onto the coupling strength from the 2 flavor case to the 2+1 flavor case, and find the Wigner solution appears in some regions, which enables us to tackle chiral phase transition as two-phase coexistences. At finite chemical potential, we analyze the chiral phase transition in the conditions of electric charge neutrality and

equilibrium. The four chemical potentials,

,

,

and

, are constrained by three conditions, so that one independent variable remains: we choose the average quark chemical potential as the free variable. All quark masses and number densities suffer discontinuities at the phase transition point. The strange quarks appear after the phase transition since the system needs more energy to produce a

-quark than an

-quark. Taking the EOS as an input, the TOV equations are solved numerically, and we show that the mass–radius relation is sensitive to the EOS. The maximum mass of strange quark stars is not susceptible to the parameter

we introduced.
1062 Are CT-KUB Requests Adequately Completed by Urologists in Emergency Settings?
Authors: Mubarak M , Awad N
Published: October 2021

Aim

Imaging requests are an essential communication tool between urologists and radiologists. Poorly completed request forms, especially in acute settings, directly translates to substandard patient care. We aimed to evaluate and improve our request completion practice in emergency settings.

Method

40 randomly selected CT-KUB images were reviewed to assess the completion of clinical background, question, patient data, location, and requester data. A multiple cycle audit followed by minor intra-departmental interventions were carried out over ten months to evaluate compliance. In December 2019, 55% and 52.5% of the requests lacked a good clinical history and question, respectively. The remaining three domains achieved the target of 100%. Subsequently, the literature and the audit data were shared and discussed, and a verbal agreement was made to improve practice.

Result

A re-audit revealed a 22.5% and 2.5% improvement in providing sufficient clinical background and questions. Findings were presented at an informal setting, and feedback was obtained on improving compliance. Simple posters or notices and occasional reminders were found as acceptable approaches. Following the implementation of feedback and orientation for joining junior doctors, a third audit cycle showed a significant improvement in compliance with 90% and 82.5%. A final cycle to assess the maintenance improvements in background and question provision was at a high of 97.5% and 90%.

Conclusions

CT-KUB request completion is essential in emergency settings to ensure optimal patient care. Improving compliance can be achieved using small interventions catered to the department, such as peer-to-peer discussions, reminder posters, and orientations.
1186 Audit Driven Standardisation Of Perioperative Risk Profiling in Carotid Endarterectomy
Authors: Muhammad K , Al-Khaffaf H
Published: October 2021

Introduction

It is a fundamental good clinical practice in our medicolegal rights era to obtain standard, adequate, and transparent informed consent before any planned intervention. Currently, there are neither national approved vascular intervention-specific consents nor explicit guidelines for it. We aim to achieve a standardisation of perioperative risk profiling of carotid endarterectomy consents and produce a model one.

Method

A retrospective analysis of 65 carotid endarterectomy consents (audit/reaudit) between (2016-2019) retrieved to evaluate quality and completeness against GMC 2008 guidance: "Consent: patients and doctors making decisions together". Data included basic consent requirements according to guidelines and speciﬁc risks of carotid endarterectomy. It was registered with the Trust Clinical Audit Department.

Results

(90%) audit vs (87%) reaudit consents documented the intended benefits of surgery. Inclusion into the National Vascular Registry (NVR) was achieved (0%) in audit vs (60%) in reaudit forms. Of the 14 documented postoperative complications, reaudit significant improvement observed in % of documenting 12 items with 6 complications recorded above 50%. The maximum number of audit documented risks was 11 (79%), the median 6 (43%), and the least was 3 (21%) compared to maximum 13 (93%), the median 7 (50%) and the least was 5 (36%) when reaudited, respectively.

Conclusions

Deficiencies in performing and adequately completing surgical consents still occur. Introducing a national pre-printed vascular intervention-specific consent is vital for accomplishing and maintaining a good clinical practice. It should include all complications with relative % risk to minimise errors, provide good quality consent, and promote clinical practice at a national level.
1333 A Retrospective Audit Against National Standards and Guidelines of The Management and Outcomes of Acute Pancreatitis in A London District General Hospital
Authors: Tytler K , Nip L , Borg C M
Published: October 2021

Introduction

Acute pancreatitis (AP) is a potentially life-threatening condition. The audit looks at its management and compares it versus the British Society of Gastroenterology guidelines.

Method

The study retrospectively assessed plans and results for patients with AP over 4 months. Targets were mortality rate below 10% (<30% for severe cases), correct diagnosis at 48h from admission, ultrasound examination of the gallbladder within 24h of diagnosis, severity stratification within 48h of diagnosis, cause established in over 80%, management involving intensive care settings for severe cases and definitive treatment of gallstone pancreatitis in less than 14 days.

Results

34 patients were identified, 3(8.6%) had severe acute pancreatitis (SAP). Mortality was 2.9% overall (33.3% in SAP). AP was diagnosed within 48h of presentation in all cases with severity stratification undertaken in 91.2%. Determination of aetiology was achieved in 82.4% with the rest documented as unknown/idiopathic/requiring further investigations post-discharge. Ultrasound studies were undertaken in 58.8% of cases but, as the hospital did not offer ultrasonography on the weekend, 41.2% actually had this type of imaging performed within 24h. Within those who did not have ultrasound at 24h, 50% had had computer tomography imaging. All SAP cases were discussed with intensivists and 7.1% of gallstone pancreatitis underwent definite treatment within 2 weeks.

Conclusions

Current practice in the hospital mostly meets the reference standards. However, the percentage undergoing definitive treatment of gallstone pancreatitis is low. We aim to re-audit in 4 months following meetings with local surgical leads to discuss implementation of a suitable pathway.
1541 Treating Patients with Respect: Assessing the Completion Rate of The ReSPECT Form for Patients Admitted to Hospital
Authors: Noshirwani A , Schrire T , Allon O
Published: October 2021

Aim

To assess the current completion rate of the Recommended Summary Plan for Emergency Care and Treatment (ReSPECT) form, and to identify ways to improve the completion rate for all inpatients under our care.

Method

All notes of admitted patients were reviewed for a completed ReSPECT form over a two-week period. Data was collected on whether a form had been completed and its respective fields. This was repeated in three cycles, introducing interventions between each cycle – trainee education and reminders were sent through our WhatsApp messenger group between cycles 1 and 2, and posters implemented between cycles 2 and 3.

Results

For cycle 1, out of 40 patient notes, 9 (22.5%) had a completed ReSPECT form. This increased to 25 out of 57 patients (43.9%) for cycle 2. Cycle 3 found 1 out of 16 patients (6.7%) had a completed ReSPECT form.

Conclusions

Our data demonstrated a significant deterioration in our compliance as a department. This could be due to a number of factors ranging from the coronavirus pandemic and staff redeployment to increased workloads, higher patient turnover, and new staff. In any outcome, the poster has proven to be ineffective. Whilst we identified that reminders via electronic message appear to have had an improvement, this has shown to be temporary, and may not be effective in busier times. As such, this audit has revealed a significant need for departmental change and to develop new strategies to improve compliance.