bluuebunny/crossref_metadata_2025 huggingface dataset:
Enzyme mechanistic studies of NMA1982, a protein tyrosine phosphatase and potential virulence factor in Neisseria meningitidis
Authors: Wu Shuangding , Coureuil Mathieu , Nassif Xavier , Tautz Lutz
Published: December 2023

Protein phosphorylation is an integral part of many cellular processes, not only in eukaryotes but also in bacteria. The discovery of both prokaryotic protein kinases and phosphatases has created interest in generating antibacterial therapeutics that target these enzymes. NMA1982 is a putative phosphatase from Neisseria meningitidis, the causative agent of meningitis and meningococcal septicemia. The overall fold of NMA1982 closely resembles that of protein tyrosine phosphatases (PTPs). However, the hallmark C(X)5R PTP signature motif, containing the catalytic cysteine and invariant arginine, is shorter by one amino acid in NMA1982. This has cast doubt about the catalytic mechanism of NMA1982 and its assignment to the PTP superfamily. Here, we demonstrate that NMA1982 indeed employs a catalytic mechanism that is specific to PTPs. Mutagenesis experiments, transition state inhibition, pH-dependence activity, and oxidative inactivation experiments all support that NMA1982 is a genuine PTP. Importantly, we show that NMA1982 is secreted by N. meningitidis, suggesting that this protein is a potential virulence factor. Future studies will need to address whether NMA1982 is indeed essential for N. meningitidis survival and virulence. Based on its unique active site conformation, NMA1982 may become a suitable target for developing selective antibacterial drugs.
Distinct brain dynamics and networks for processing short and long auditory time intervals
Authors: Thibault Nicola , Albouy Philippe , Grondin Simon
Published: December 2023

Psychophysical studies suggest that time intervals above and below 1.2 s are processed differently in the human brain. However, the neural underpinnings of this dissociation remain unclear. Here, we investigate whether distinct or common brain networks and dynamics support the passive perception of short (below 1.2 s) and long (above 1.2 s) empty time intervals. Twenty participants underwent an EEG recording during an auditory oddball paradigm with .8- and 1.6-s standard time intervals and deviant intervals either shorter (early) or longer (delayed) than the standard interval. We computed the auditory ERPs for each condition at the sensor and source levels. We then performed whole brain cluster-based permutation statistics for the CNV, N1 and P2, components, testing deviants against standards. A CNV was found only for above 1.2 s intervals (delayed deviants), with generators in temporo-parietal, SMA, and motor regions. Deviance detection of above 1.2 s intervals occurred during the N1 period over fronto-central sensors for delayed deviants only, with generators in parietal and motor regions. Deviance detection of below 1.2 s intervals occurred during the P2 period over fronto-central sensors for delayed deviants only, with generators in primary auditory cortex, SMA, IFG, cingulate and parietal cortex. We then identified deviance related changes in directed connectivity using bivariate Granger causality to highlight the networks dynamics associated with interval processing above and below 1.2. These results suggest that distinct brain dynamics and networks support the perception of time intervals above and below 1.2 s.
Tropical cyclones over the South China Sea suppress the monsoonal rainfall in southern China
Authors: Li Xinyu , Lu Riyu , Chen Guixing , Chen Ruidan
Published: December 2023

The tropical cyclones (TCs) often cause intense rain and destructive winds. While these catastrophic weather conditions capture our attention, the less-known impact of TCs remains overlooked. This study reveals that TCs have a notable suppressive effect on monsoonal rainfall in southern China when they traverse the South China Sea. This phenomenon can be attributed to the influence of these mesoscale disturbances on the quasi-stationary, large-scale monsoonal circulation, which alters the moisture pathway. Furthermore, the case-by-case analysis indicates that ~76% of TCs correspond to rainfall reduction, whereas the other 24% correspond to rainfall increase. The latter is due to the concurrent occurrence of another independent influencing factor: extratropical cyclonic anomalies that promote enhanced rainfall through favoring lower-tropospheric moisture convergence. This study suggests that TCs, as mesoscale disturbances, can change the moisture channel that is usually controlled by quasi-stationary and large-scale monsoonal airflows, and suppress the adjacent land rainfall over China.
Thoracic and abdominal outgrowths in early pterygotes: a clue to the common ancestor of winged insects?
Authors: Prokop Jakub , Rosová Kateřina , Leipner Angelika , Sroka Pavel
Published: December 2023

One of the fundamental questions in insect evolution is the origin of their wings and primary function of ancestral wing precursors. Recent phylogenomic and comparative morphological studies broadly support a terrestrial ancestor of pterygotes, but an aquatic or semiaquatic ancestor cannot be ruled out. Here new features of the branchial system of palaeodictyopteran larvae of several different instars of Katosaxoniapteron brauneri gen. et sp. nov. (Eugereonoidea) from the late Carboniferous collected at Piesberg (Germany) are described, which consist of delicate dorsolateral and lamellate caudal abdominal gills that support an aquatic or at least semiaquatic lifestyle for these insects. Moreover, the similar form and surface microstructures on the lateral abdominal outgrowths and thoracic wing pads indicate that paired serial outgrowths on segments of both tagmata presumably functioned as ancestral type of gills resembling a protopterygote model. This is consistent with the hypothesis that the wing sheaths of later stage damselfly larvae in hypoxic conditions have a respiratory role similar to abdominal tracheal gills. Hence, the primary function and driving force for the evolution of the precursors of wing pads and their abdominal homologues could be respiration.
Video-rate 3D imaging of living cells using Fourier view-channel-depth light field microscopy
Authors: Yi Chengqiang , Zhu Lanxin , Sun Jiahao , Wang Zhaofei , Zhang Meng , Zhong Fenghe , Yan Luxin , Tang Jiang , Huang Liang , Zhang Yu-Hui , Li Dongyu , Fei Peng
Published: December 2023

Interrogation of subcellular biological dynamics occurring in a living cell often requires noninvasive imaging of the fragile cell with high spatiotemporal resolution across all three dimensions. It thereby poses big challenges to modern fluorescence microscopy implementations because the limited photon budget in a live-cell imaging task makes the achievable performance of conventional microscopy approaches compromise between their spatial resolution, volumetric imaging speed, and phototoxicity. Here, we incorporate a two-stage view-channel-depth (VCD) deep-learning reconstruction strategy with a Fourier light-field microscope based on diffractive optical element to realize fast 3D super-resolution reconstructions of intracellular dynamics from single diffraction-limited 2D light-filed measurements. This VCD-enabled Fourier light-filed imaging approach (F-VCD), achieves video-rate (50 volumes per second) 3D imaging of intracellular dynamics at a high spatiotemporal resolution of ~180 nm × 180 nm × 400 nm and strong noise-resistant capability, with which light field images with a signal-to-noise ratio (SNR) down to -1.62 dB could be well reconstructed. With this approach, we successfully demonstrate the 4D imaging of intracellular organelle dynamics, e.g., mitochondria fission and fusion, with ~5000 times of observation.
Hypothalamic supramammillary neurons that project to the medial septum modulate wakefulness in mice
Authors: Liang Mengru , Jian Tingliang , Tao Jie , Wang Xia , Wang Rui , Jin Wenjun , Chen Qianwei , Yao Jiwei , Zhao Zhikai , Yang Xinyu , Xiao Jingyu , Yang Zhiqi , Liao Xiang , Chen Xiaowei , Wang Liecheng , Qin Han
Published: December 2023

The hypothalamic supramammillary nucleus (SuM) plays a crucial role in controlling wakefulness, but the downstream target regions participating in this control process remain unknown. Here, using circuit-specific fiber photometry and single-neuron electrophysiology together with electroencephalogram, electromyogram and behavioral recordings, we find that approximately half of SuM neurons that project to the medial septum (MS) are wake-active. Optogenetic stimulation of axonal terminals of SuM-MS projection induces a rapid and reliable transition to wakefulness from non-rapid-eye movement or rapid-eye movement sleep, and chemogenetic activation of SuMMS projecting neurons significantly increases wakefulness time and prolongs latency to sleep. Consistently, chemogenetically inhibiting these neurons significantly reduces wakefulness time and latency to sleep. Therefore, these results identify the MS as a functional downstream target of SuM and provide evidence for the modulation of wakefulness by this hypothalamic-septal projection.
Longitudinal development of the human white matter structural connectome and its association with brain transcriptomic and cellular architecture
Authors: Feng Guozheng , Chen Rui , Zhao Rui , Li Yuanyuan , Ma Leilei , Wang Yanpei , Men Weiwei , Gao Jiahong , Tan Shuping , Cheng Jian , He Yong , Qin Shaozheng , Dong Qi , Tao Sha , Shu Ni
Published: December 2023

From childhood to adolescence, the spatiotemporal development pattern of the human brain white matter connectome and its underlying transcriptomic and cellular mechanisms remain largely unknown. With a longitudinal diffusion MRI cohort of 604 participants, we map the developmental trajectory of the white matter connectome from global to regional levels and identify that most brain network properties followed a linear developmental trajectory. Importantly, connectome-transcriptomic analysis reveals that the spatial development pattern of white matter connectome is potentially regulated by the transcriptomic architecture, with positively correlated genes involve in ion transport- and development-related pathways expressed in excitatory and inhibitory neurons, and negatively correlated genes enriches in synapse- and development-related pathways expressed in astrocytes, inhibitory neurons and microglia. Additionally, the macroscale developmental pattern is also associated with myelin content and thicknesses of specific laminas. These findings offer insights into the underlying genetics and neural mechanisms of macroscale white matter connectome development from childhood to adolescence.
Scrutinizing the protein hydration shell from molecular dynamics simulations against consensus small-angle scattering data
Authors: Linse Johanna-Barbara , Hub Jochen S.
Published: December 2023

Biological macromolecules in solution are surrounded by a hydration shell, whose structure differs from the structure of bulk solvent. While the importance of the hydration shell for numerous biological functions is widely acknowledged, it remains unknown how the hydration shell is regulated by macromolecular shape and surface composition, mainly because a quantitative probe of the hydration shell structure has been missing. We show that small-angle scattering in solution using X-rays (SAXS) or neutrons (SANS) provide a protein-specific probe of the protein hydration shell that enables quantitative comparison with molecular simulations. Using explicit-solvent SAXS/SANS predictions, we derived the effect of the hydration shell on the radii of gyration Rg of five proteins using 18 combinations of protein force field and water model. By comparing computed Rg values from SAXS relative to SANS in D2O with consensus SAXS/SANS data from a recent worldwide community effort, we found that several but not all force fields yield a hydration shell contrast in remarkable agreement with experiments. The hydration shell contrast captured by Rg values depends strongly on protein charge and geometric shape, thus providing a protein-specific footprint of protein–water interactions and a novel observable for scrutinizing atomistic hydration shell models against experimental data.
Exceptional eruptive CO2 emissions from intra-plate alkaline magmatism in the Canary volcanic archipelago
Authors: Burton Mike , Aiuppa Alessandro , Allard Patrick , Asensio-Ramos María , Cofrades Ana Pardo , La Spina Alessandro , Nicholson Emma J. , Zanon Vittorio , Barrancos José , Bitetto Marcello , Hartley Margaret , Romero Jorge E. , Waters Emma , Stewart Alex , Hernández Pedro A. , Lages João Pedro , Padrón Eleazar , Wood Kieran , Esse Benjamin , Hayer Catherine , Cyrzan Klaudia , Rose-Koga Estelle F. , Schiavi Federica , D’Auria Luca , Pérez Nemesio M.
Published: December 2023

Alkaline mafic magmas forming intra-plate oceanic islands are believed to be strongly enriched in CO2 due to low-degree partial melting of enriched mantle sources. However, until now, such CO2 enhancement has not been verified by measuring CO2 degassing during a subaerial eruption. Here, we provide evidence of highly CO2-rich gas emissions during the 86-day 2021 Tajogaite eruption of Cumbre Vieja volcano on La Palma Island, in the Canary archipelago. Our results reveal sustained high plume CO2/SO2 ratios, which, when combined with SO2 fluxes, melt inclusion volatile contents and magma production rates at explosive and effusive vents, imply a magmatic CO2 content of 4.5 ± 1.5 wt%. The amount of CO2 released during the 2021 eruptive activity was 28 ± 14 Mt CO2. Extrapolating to the volume of alkaline mafic magmas forming La Palma alone (estimated as 4000 km3 erupted over 11 Ma), we infer a maximum CO2 emission into the ocean and atmosphere of 1016 moles of CO2, equivalent to 20% of the eruptive CO2 emissions from a large igneous province eruption, suggesting that the formation of the Canary volcanic archipelago produced a CO2 emission of similar magnitude as a large igneous province.
A potential collapse of the Atlantic Meridional Overturning Circulation may stabilise eastern Amazonian rainforests
Authors: Nian Da , Bathiany Sebastian , Ben-Yami Maya , Blaschke Lana L. , Hirota Marina , Rodrigues Regina R. , Boers Niklas
Published: December 2023

Observations and models suggest that the Amazon rainforest might transition to a savanna-like state in response to anthropogenic climate and land use change. Here, we combine observations of precipitation, temperature and tree cover with high-resolution comprehensive climate model simulations to investigate the combined effect of global warming and a potential Atlantic Meridional Overturning Circulation collapse on the Amazon. Our results show that, while strong warming lead to forest dieback, an Atlantic Meridional Overturning Circulation collapse would stabilize the Amazon by increasing rainfall and decreasing temperature in most parts. Although an Atlantic Meridional Overturning Circulation collapse would have devastating impacts globally, our results suggest that it may delay or even prevent parts of the Amazon rainforest from dieback. Besides the many negative consequences of its collapse, the interactions we identify here make a tipping cascade, i.e., that an Atlantic Meridional Overturning Circulation collapse would trigger Amazon dieback, appear less plausible.
Sensitivity of extreme precipitation to climate change inferred using artificial intelligence shows high spatial variability
Authors: Bird Leroy J. , Bodeker Gregory E. , Clem Kyle R.
Published: December 2023

Evaluating how extreme precipitation changes with climate is challenged by the paucity, brevity and inhomogeneity of observational records. Even when aggregating precipitation observations over large regions (obscuring potentially important spatial heterogeneity) the statistics describing extreme precipitation are often too uncertain to be of any practical value. Here we present an approach where a convolutional neural network (an artificial intelligence model) is trained on precipitation measurements from 10,000 stations to learn the spatial structure of the parameters of a generalised extreme value model, and the sensitivity of those parameters to the annual mean, global mean, surface temperature. The method is robust against the limitations of the observational record and avoids the short-comings of regional and global climate models in simulating the sensitivity of extreme precipitation to climate change. The maps of the sensitivity of extreme precipitation to climate change, on ~1.5 km × 1.5 km grids over North America, Europe, Australia and New Zealand, derived using the successfully trained convolutional neural network, show high spatial variability.
Surface-enhanced Raman scattering using flower-like Ag/ZnO as active substrates for the label-free and sensitive detection of rhodamine 6G and melamine
Authors: Ren Xiaohui , Song Xinyue , Wang Lili , Ma Wenjie , Li Xin
Published: December 2023

The reliable and accurate detection of unauthorized additives in food is significant to prevent health risks.
Lower limit characterization of segregation degree for large-size low-alloy steel
Authors: Zhang Xiaofen , Jia Yunhai , Yang Zhigang , Sheng Liang , Li Baibing , Lyu Yong , Xu Shanshan , Zhang Chunyan , Tang Zhihao
Published: December 2023

The Ds(L) criterion was proposed to quantitatively characterize the segregation existence and degree for large-size metal material by SMALS.
Bimetallic nanoplatform for synergistic sonodynamic-calcium overload therapy utilizing self-supplied hydrogen peroxide and relieved hypoxia
Authors: Xu Wenqian , Zhao Yisheng , Zhang Chao , Huo Mengping , Wang Lei , Wu Xuewu , Zhang Yang , Li Qiao , Gai Yonghao
Published: December 2023

This study introduces a bimetallic nanoplatform (Fe3O4-TAPP@PVP-CaO2) that addresses the limitations in sonodynamic therapy. It enhances oxygen supply, generates toxic reactive oxygen species, and triggers cancer cell death through calcium overload.
Enhancing cell-scale performance via sustained release of the varicella-zoster virus antigen from a microneedle patch under simulated microgravity
Authors: Yin Yue , Yang Junyuan , Gao Ge , Zhou Huaijuan , Chi Bowen , Yang Hong Yu , Li Jinhua , Wang Yilong
Published: December 2023

A sustained-release microneedle patch was developed as a durable VZV vaccine delivery system under simulated microgravity, which is also of great significance for preventing general viral infections in space.
Oxygen and pH responsive theragnostic liposomes for early-stage diagnosis and photothermal therapy of solid tumours
Authors: Li Siyi , Wang Qinglin , Ren Yingying , Zhong Pengfei , Bao Pengtao , Guan Shanyue , Qiu Xiaochen , Qu Xiaozhong
Published: December 2023

An oxygen and pH responsive liposomal theragnostic system is developed by co-assembly of an amphiphilic ruthenium complex with phosphatidylcholine and the encapsulation of ICG for tumoral hypoxic environment detection and photothermal therapy.
Kappa what? Insights into the coordination modes of N2P2 ligands
Authors: Marlier Elodie E.
Published: December 2023

This review article explores the different coordination modes of N2P2 ligands and highlights the resulting complexes’ reactivity and catalytic abilities.
Enhanced thermoelectric properties of In-filled Co4Sb12 by dispersion of reduced graphene oxide
Authors: Ghosh Sanyukta , Jain Shubhanth , Mishra Soumya Ranjan , Rogl Gerda , Rogl Peter , Bauer Ernst , Murty B. S. , Govindaraj A. , Mallik Ramesh Chandra
Published: December 2023

Uniformly dispersed nanosized rGO within In0.5Co4Sb12 reduces the lattice thermal conductivity, yielding a figure of merit of ∼1.53 at 773 K.
Heterogeneous H2O2-based selective oxidations over zirconium tungstate α-ZrW2O8
Authors: Evtushok Vasilii Yu. , Ivanchikova Irina D. , Zalomaeva Olga V. , Gubanov Alexander I. , Kolesov Boris A. , Glazneva Tatiana S. , Kholdeeva Oxana A.
Published: December 2023

A stable and reusable crystalline α-ZrW2O8 catalyst is capable of activating H2O2 under mild conditions and performing various selective liquid-phase oxidations.
A scalable solar-based adsorption thermal battery for day and night heating in a low-carbon scenario
Authors: Zeng Ziya , Yang Xinge , Zhao Bingchen , Chen Zhihui , Chua Kian Jon Ernest , Wang Ruzhu
Published: December 2023

A proof-of-concept realization of a solar ATB wall envelope integrated into a residential building, which comprises a high-performance thermal battery and solar wall design, aiming at achieving day and night space heating in low-carbon scenarios.
MOF derived metal oxide nanohybrids with in situ grown rGO: a smart material for simultaneous electrochemical sensing of HQ and RS
Authors: Iftikhar Tayyaba , Majeed Muhammad Irfan , Aziz Ayesha , Khadom Anees A. , Huang Zhuo , Ashraf Ghazala , Li Guangfang , Asif Muhammad , Xiao Fei , Liu Hongfang
Published: December 2023

A GCE modified with HKUST-1/rGO/CuO/α-Fe2O3 for the individual and simultaneous electrochemical detection of environmental pollutants HQ and RS in skin whitening creams and hair toners.
Advancing global priorities in water research and technology
Authors: Gagnon Graham
Published: December 2023

Editor-in-Chief Graham Gagnon reflects on Environmental Science: Water Research & Technology and shares his ambitions for the journal.
Betanin protects against bleomycin-induced pulmonary fibrosis by regulating the NLRP3/IL-1β/TGF-β1 pathway-mediated epithelial-to-mesenchymal transition
Authors: Abd Elrazik Nesma A. , Helmy Sahar A
Published: December 2023

The proposed mechanism of betanin protective effect against bleomycin-induced pulmonary fibrosis.
Wheat peptides inhibit the activation of MAPK and NF-κB inflammatory pathways and maintain epithelial barrier integrity in NSAID-induced intestinal epithelial injury
Authors: Feng Zhiyuan , Wei Ying , Zhang Zhuoran , Li Mingliang , Gu Ruizeng , Lu Lu , Liu Wenying , Qin Huimin
Published: December 2023

Wheat peptides inhibit the occurrence of intestinal tissue inflammation through the MAPK and NF-κB pathways, increase the expression of tight junction proteins, promote the repair of damaged mucosal barrier function, and improve intestinal injury.
Role of heterocycles in inhibition of VEGFR-2 – a recent update (2019–2022)
Authors: Dorababu Atukuri
Published: December 2023

The review describes anti-VEGFR-2 activity of heterocycles including quinazoles, pyrimidines, isatin and azoles considering SAR for a given set of derivatives. Compounds with potent activity were emphasized with description of structural features.
Functional polymeric molecules for performing autonomous synthesis of particles with core–shell structures and customizable shapes
Authors: Chen Linfeng , Low Han Rou , Jiang Yan , Zhang Wan Yu , Ao Chi Kit , Tan Yan Jie Neriah , Lim Kang Hui , Soh Siowling
Published: December 2023

Polymeric molecules in a liquid medium are programmed with instructions written by specific chemical moieties for building structures. The molecules migrate to specific sites for fabricating customized shaped particles with core–shell structures.
Atomic surface of quartz glass induced by photocatalytic green chemical mechanical polishing using the developed SiO2@TiO2 core–shell slurry
Authors: Fan Yuanhang , Zhang Zhenyu , Yu Jiaxin , Deng Xingqiao , Shi Chunjing , Zhou Hongxiu , Meng Fanning , Feng Junyuan
Published: December 2023

The material removal mechanism for polishing quartz glasses using SiO2@TiO2 composite abrasives under photocatalytic conditions.
Multistate switching of scanning tunnelling microscopy machined polyoxovanadate–dysprosium–phthalocyanine nanopatterns on graphite
Authors: Moors Marco , Werner Irina , Bauer Jens , Lorenz Jonas , Monakhov Kirill Yu.
Published: December 2023

We demonstrate the formation of stable monolayers of polyoxometalates on a graphite substrate, which can be electronically multi-level switched and nanostructured without physical contact by the electric field of a scanning tunnelling microscope tip.
Direct synthesis of CsPbX3 perovskite nanocrystal assemblies
Authors: Wang Chujie , Matta Sri K. , Ng Chun Kiu , Cao Chang , Sharma Manoj , Chesman Anthony S. R. , Russo Salvy P. , Jasieniak Jacek J.
Published: December 2023

Perovskite nanocrystal assemblies have been directly synthesised via solvent and ligand induced enhancements of the attractive hydrophobic interaction.
Tuning the performance of Fe–porphyrin aerogel-based PGM-free oxygen reduction reaction catalysts in proton exchange membrane fuel cells
Authors: Persky Yeela , Yurko Yan , Snitkoff-Sol Rifael Z. , Zion Noam , Elbaz Lior
Published: December 2023

The distance between active sites in Fe–N–C ORR catalysts can be fine-controlled in aerogel-based frameworks, and greatly affect their performance in proton exchange membrane fuel cells.
Multigram-scale chemoenzymatic synthesis of diverse aminopolycarboxylic acids as potential metallo-β-lactamase inhibitors
Authors: Bhat Mohammad Faizan , Prats Luján Alejandro , Saifuddin Mohammad , Fodran Peter , Poelarends Gerrit J.
Published: December 2023

Chemoenzymatic syntheses of various aminopolycarboxylic acids, including click-handle-modified and photocaged derivatives, are presented. These strategies may facilitate development of effective metallo-β-lactamase inhibitors to fight infections.
Iridium-catalysed reductive allylic amination of α,β-unsaturated aldehydes
Authors: Liu Liang , Luo Renshi , Tong Jinghui , Liao Jianhua
Published: December 2023

Allylic amination is a powerful tool for constructing N-allylic amines widely found in bioactive molecules.
Catalyst-free photo-induced aerobic radical synthesis of lactams from N-alkenyl trichloroacetamides in 2-methyltetrahydrofuran as the radical initiator under violet light
Authors: Diaba Faïza , Trenchs Gisela
Published: December 2023

A green and sustainable photo-induced catalyst- and additives-free aerobic synthesis of γ- and δ-lactams from N-alkenyl trichloroacetamides is reported in tetrahydrofuran or 2-methyltetrahydrofuran as the radical initiators under violet LEDs irradiation.
Highly efficient tungsten/molybdenum-based electrocatalysts for the oxygen reduction reaction: a review
Authors: Sun Guiru , Liu Xiaobin , Mao Huimin , Wu Siqi , Liu Yanru , Wang Tianshi , Chi Jingqi , Wang Lei
Published: December 2023

The mechanisms, synthesis methods and strategies for application of W/Mo-based ORR electrocatalysts are briefly introduced. Recent advances in W/Mo-based ORR electrocatalysts are discussed in detail.
An umpolung strategy for chemoselective metal-free [4 + 2] annulation of azlactones: access to tetrahydro-β-carbolin 1,3-diketone frameworks
Authors: Wang Meng , Zheng Ze-Hong , Chen Mu-Qiu , Zhan Gu , Wang Jie , Yang Qian-Qian , Huang Wei
Published: December 2023

A range of tetrahydro-β-carbolin 1,3-diketones can be efficiently synthesized through effective [4 + 2] annulation involving azlactones and indole-2-amides. This method utilizes the umpolung strategy and exhibits excellent compatibility.
Transition metal free C(sp3)–C(sp3) coupling between alcohols and N-heteroarenes via a dehydrogenative SET/HAT process
Authors: Liu Xiaoping , Wang Dongjie , Garo Jordan , Sotiropoulos Jean-Marc , Taillefer Marc
Published: December 2023

Transition metal free activation of alcohols and C(sp3)H–C(sp3)H coupling with N-heteroarenes to access olefins was performed. The reaction would proceed via a combined SET/HAT dehydrogenative process.
Computational approach for investigating nanoscale interfacial ice adhesion trends
Authors: Vincent Abhay , Pervier Marie , Pervier Hugo , Nalianda Devaiah
Published: December 2023

For developing high performance, low-energy ice protection systems, it is vital to understand the icing physics at the interface of the ice and substrate. This can be achieved by modelling the interface at nanoscale and then studying the adhesion trends.
Chalcone Mannich base derivatives: synthesis, antimalarial activities against Plasmodium knowlesi, and molecular docking analysis
Authors: Syahri Jufrizal , Hilma Rahmiwati , Ali Amatul Hamizah , Ismail Norzila , Yee Ling Ng , Nurlaili  , Nurohmah Beta Achromi , Agustar Hani Kartini , Ling Lau Yee , Latip Jalifah
Published: December 2023

Research on the antimalarial effect of aminoalkyl chalcone derivatives against Plasmodium falciparum and Plasmodium knowlesi has bolstered efforts in drug discovery to combat cases of drug resistance.
Bandgap engineering of germanene for gas sensing applications
Authors: Le Ong Kim , Chihaia Viorel , Son Do Ngoc
Published: December 2023

The bandgaps of germanene substrates with and without adsorption of gases have been computed by various schemes. Physical insights into the interaction between the germanene substrates and volatile organic compounds have been elucidated.
Separation of americium from highly active raffinates by an innovative variant of the AmSel process based on the ionic liquid Aliquat-336 nitrate
Authors: Kolesar Filip , Van Hecke Karen , Zsabka Péter , Verguts Ken , Binnemans Koen , Cardinaels Thomas
Published: December 2023

A new variant of the AmSel (Americium Selective Separation) system for the separation of Am(iii) from a PUREX raffinate was tested in which the aliphatic diluent was replaced by the ionic liquid Aliquat-336 nitrate.
Preparation of hydrophobic porous Au–Ag alloy nanoparticle arrays and their SERS properties
Authors: Kong Ming , Wu Yingyi , Men Dandan , Ding Qianqian , Zhang Honghua
Published: December 2023

The porous Au–Ag alloy nanoparticle arrays with hydrophobic surface as a SERS substrate were prepared by the calcination and etching method.
A combined first principles and experimental approach to Bi2WO6
Authors: Hossain Quazi Shafayat , Nishat Sadiq Shahriyar , Sultana Mohsina , Mahi Tasnim Ahmed , Ahmed Shahran , Khan M. N. I. , Das H. N. , Bashar Muhammad Shahriar , Akhtar Umme Sarmeen , Jahan Sharmin , Chowdhury Fariha , Hossain Khandker Saadat , Imran Sazzad M. S. , Ahmed Imtiaz
Published: December 2023

The computationally cheap DFT functional GGA-PBE+Ud+Up with van der Waals force in effect has successfully probed the physical properties of experimentally synthesized Bi2WO6.
Facile preparation of carbon nitride by binary eutectic KNO3/KCl molten salt and its photocatalytic performance evaluation
Authors: Chen Xiaodi , Liu Shihang , Xie Tian , Zhang Chao , Xu Shiai
Published: December 2023

A facile molten salt-assisted heat-treated carbon nitride via binary eutectic KNO3/KCl was successfully developed. The as-prepared photocatalyst had much improved photocatalytic activity for organic matter photodegradation and H2 production.
Evaluation of quantum chemistry calculation methods for conformational analysis of organic molecules using A-value estimation as a benchmark test
Authors: Yamada Ken-ichi , Inokuma Tsubasa
Published: December 2023

A-values of 20 substituents were estimated by quantum chemistry calculations of different theoretical levels.
The role of WOx and dopants (ZrO2 and SiO2) on CeO2-based nanostructure catalysts in the selective oxidation of benzyl alcohol to benzaldehyde under ambient conditions
Authors: Bathula Ganeshbabu , Rana Surjyakanta , Bandalla Siddaramagoud , Dosarapu Vijaykumar , Mavurapu Satyanarayana , Rajeevan V. V. Aswathi , Sharma Bhaskar , Jonnalagadda Sreekantha B. , Baithy Mallesham , Vasam Chandra Shekar
Published: December 2023

Herein, the efficacy of WOx-promoted CeO2–SiO2 and CeO2–ZrO2 mixed oxide catalysts in the solvent-free selective oxidation of benzyl alcohol to benzaldehyde using molecular oxygen as an oxidant is reported.
Calcined chicken eggshell-derived biomimetic nano-hydroxyapatite as a local drug-delivery aid for doxycycline hyclate: characterization, bio-activity, cytotoxicity, antibacterial activity andin vitrorelease study
Authors: Bin Mobarak Mashrafi , Islam M. Nahidul , Chowdhury Fariha , Uddin Md. Najem , Hossain Md. Sahadat , Mahmud Monika , Akhtar Umme Sarmeen , Tanvir Nazmul Islam , Rahman A. F. M. Mustafizur , Ahmed Samina
Published: December 2023

The integration of bioactive substances with antibiotics has been extensively pursued for the treatment of osteomyelitis.
Genome mining of actinomycin shunt products from Kitasatospora sp. YINM00002
Authors: Zhang Zhou-Tian-Le , Sun Hui-Bing , Ren Zhen , Xie Tian-Peng , Wang Ying-Fang , Guo Yin , Su Xiaoyu , Yin Min , Zhou Hao , Ding Zhong-Tao
Published: December 2023

The 4-MHA, a key node in the biosynthetic flow of actinomycins under NRPS catalysis, is also converted into actinrhaters A and B.
Intermolecular exo-selective Diels–Alder reaction catalysed by dual-functional Brønsted acid: conformational restriction of transition states by hydrogen bonds as the key interaction
Authors: Nakanishi Taishi , Terada Masahiro
Published: December 2023

An exo-selective Diels–Alder reaction was predicted by a computational approach and was experimentally confirmed by the combined use of a dual-functional acid catalyst, such as phosphoric acid, and the conformationally restricted dienylcarbamate.
Mechanistic insights into radical formation and functionalization in copper/N-fluorobenzenesulfonimide radical-relay reactions
Authors: Mandal Mukunda , Buss Joshua A. , Chen Si-Jie , Cramer Christopher J. , Stahl Shannon S.
Published: December 2023

Copper-catalysed radical-relay reactions that employ N-fluorobenzenesulfonamide (NFSI) as the oxidant have emerged as highly effective methods for C(sp3)–H functionalization.
LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry
Authors: Manvell Anna Schannong , Pfleger Rouven , Bonde Niels Andreas , Briganti Matteo , Mattei Carlo Andrea , Nannestad Theis Brock , Weihe Høgni , Powell Annie K. , Ollivier Jacques , Bendix Jesper , Perfetti Mauro
Published: December 2023

Ionic strength and solid state packing effects have been used to remove the coordinated water molecule from the LnDOTA complexes, allowing to understand the magnetic anisotropy and single molecule magnet properties of these complexes.
A high affinity pan-PI3K binding module supports selective targeted protein degradation of PI3Kα
Authors: Jauslin Werner Theodor , Schild Matthias , Schaefer Thorsten , Borsari Chiara , Orbegozo Clara , Bissegger Lukas , Zhanybekova Saule , Ritz Danilo , Schmidt Alexander , Wymann Matthias , Gillingham Dennis
Published: December 2023

Bifunctional degraders built from unselective inhibitors of the phosphoinositide 3-kinase (PI3K) family can support selective degradation of specific isoforms, such as the frequently mutated oncoprotein PI3Kα.
Strain induced reactivity of cyclic iminoboranes: the (2 + 2) cycloaddition of a 1H-1,3,2-diazaborepine with ethene
Authors: Gupta Divanshu , Einholz Ralf , Bettinger Holger F.
Published: December 2023

Cyclic seven-membered iminoborane, 1-(tert-butyldimethylsilyl)-1H-1,3,2-diazaborepine 2, generated in cryogenic conditions which undergoes facile (2 + 2) cycloaddition reaction with C2H4 at 30 K.
Steric hindrance driven passivating cations for stable perovskite solar cells with an efficiency over 24%
Authors: Rakstys Kasparas , Xia Jianxing , Zhang Yi , Siksnelyte Kotryna , Slonopas Andre , Dyson Paul J. , Getautis Vytautas , Nazeeruddin Mohammad Khaja
Published: December 2023

Surficial passivated PSCs with power conversion efficiency over 24% have been achieved based on perfluorinated cation PFPDMAI2 having sterically hindered ortho-methylammonium iodide functional units with a long-term operational stability over 1500 h.
The Mott–Schottky Co2P/Co heterocatalyst encapsulated by N,P-doped graphene/carbon nanotubes as high-efficiency trifunctional electrocatalysts for cable-type flexible Zn–air batteries and water splitting
Authors: Ngo Quynh Phuong , Nguyen Thanh Tuan , Singh Manjinder , Kim Nam Hoon , Lee Joong Hee
Published: December 2023

The novel Mott–Schottky Co2P/Co encapsulated by N,P co-doped graphene and carbon nanotubes is prepared and employed it as superior catalyst for zinc–air batteries and water splitting application, making it a noteworthy advancement in the field.
Ultrafast cathode characteristics of a nano-V2(PO4)3 carbon composite for rechargeable magnesium batteries
Authors: Harada Yuta , Chikaoka Yu , Kasai Marina , Koizumi Kyoya , Iwama Etsuro , Okita Naohisa , Orikasa Yuki , Naoi Wako , Naoi Katsuhiko
Published: December 2023

Nano-V2(PO4)3/KB cathodes demonstrated an ultrafast cathode reaction with Mg2+ insertion/extraction at ambient temperature through a solid-solution reaction.
Nanofluidic ion regulation membranes based on two-dimensional vacancy-containing CdPS3 membrane
Authors: Zhang Meng , Huang Chenhui , Zhai Zhaofeng , Kang Xiaomin , Ju Jiang , Qian Xitang
Published: December 2023

A study on 2D flexible ion-conductive membranes assembled with monolayered Cd vacancy-containing CdPS3-based nanosheets, showcasing surface charge-controllable and voltage-tunable ion transport properties.
Efficient and stable CO2 capture using a scalable and spontaneous cross-linking amine-functionalized nano-Al2O3 adsorbent
Authors: Shen Xuehua , Yan Feng , Zeng Zhenzhong , Wang Pengju , Xie Feng , Sun Xin , Chen Heijing , Zhang Zuotai
Published: December 2023

The spontaneous cross-linking between polyethyleneimine and nano-Al2O3 facilitates efficient and stable CO2 capture.
Performance enhancement of inverted perovskite solar cells using a GlyHCl additive
Authors: Cheng Haiyang , Zhuang Jing , Cao Jiupeng , Wang Tianyue , Wong Wai-Yeung , Yan Feng
Published: December 2023

GlyHCl additive can modulate perovskite crystallization, control facet orientation and modify bottom surface owing to its interactions with PbI2 and the organic solvents, leading to substantial enhancement on both device efficiency and stability.
A thin, intrinsically stretchable MXene-MWCNTs/polymer current collector for deformable aqueous Li-ion batteries
Authors: Chen Zi-Fang , Chen Xingguang , Chen Chengwei , Lai Xiaoxu , Qin Jian , Chen Chi , Sun Dan
Published: December 2023

By integrating Ti3C2Tx with MWCNTs on an elastic SEBS film, a thin, intrinsically stretchable hybrid conductor was constructed and used to fabricate deformable aqueous Li-ion batteries.
Expression of concern: Interfacial adsorption study of nitrogen based inhibitors in silane nanocontainers as anticorrosive and self-healing material for steel in strong acid solution
Authors: M. S. Darris , Shibli S. M. A.
Published: December 2023

Expression of concern for ‘Interfacial adsorption study of nitrogen based inhibitors in silane nanocontainers as anticorrosive and self-healing material for steel in strong acid solution’ by Darris M. S. et al., J. Mater. Chem. A, 2023, https://doi.org/10.1039/d3ta02203j.
Construction of a highly efficient DNA nanotube sensor with peroxide-like activity
Authors: Zhang Ying , Wu Lingqi , Su Xin , Liang Hao
Published: December 2023

DNTzyme with enhanced enzymatic activity and excellent stability was constructed by loading of DNAzyme on DNA nanotubes.
A covalent organic polymer-based transistor with multifunctional memory and synaptic functions
Authors: Feng Zihao , Elewa Ahmed M. , Mekhemer Islam M. A. , Niu Wenbiao , Ma Xin-Qi , Jia Ziqi , Zhao JiYu , Han Su-Ting , Chou Ho-Hsiu , Zhou Ye
Published: December 2023

An organic synaptic transistor was fabricated with a covalent organic polymer MT-TP to mimic the behavior of biological synapses.
Perforated PVP encapsulated AgNWs for high mass loading in silver nanowire inks for printed RFID integrated wearable smart bands
Authors: Pillai Adarsh Sivan , Sudhakar Sumith , Benny Steffy , Sahoo Swaroop , Chandran Achu , Peethambharan Surendran Kuzhichalil
Published: December 2023

A perforated PVP coating on AgNWs produces high-mass loading and low-temperature curing inks. The ink produces prints of high conductivity, and an RFID-assisted smart band for wearable position sensing is developed using the ink.
Au nanoparticles confined in self-assembled Zn(ii) metal–organic cubane cages for light-driven conversion of furfural to 2-methyl furan in biofuel production
Authors: Thakur Sahil , Rohilla Jyoti , Kumar Keshav , Singh Raghubir , Kaur Varinder , Kamboj Raman
Published: December 2023

A polyoxometalate Zn(ii) cubane cage with intrinsic confined spaces constructed by the self-assembly of tetrametallic cubane clusters was obtained and utilized as a skeletal support for the encapsulation of gold nanoparticles.
Effect of the fluorinating agent type (NH4F, NaF, KF) on the particle size and emission properties of SrF2:Yb:Er luminophores
Authors: Ermakova J. A. , Madirov E. I. , Fedorov P. P. , Alexandrov A. A. , Kuznetsov S. V.
Published: December 2023

Efficient luminophores SrF2:Yb:Er were synthesized using different fluorinating agents, such as ammonium fluoride, sodium fluoride and potassium fluoride, under the same synthesis conditions by co-precipitation from the aqueous solution technique.
Preparation of fluorinated poly(benzoxazole-co-imide) with low dielectric constants based on the thermal rearrangement reaction of o-hydroxy polyimides
Authors: Li Hong , Li Xiyan , Yu Jiali , Li Yadong , Wang Zhigang , Bao Feng , Zhu Caizhen , Xu Jian
Published: December 2023

This paper proposes a new strategy to prepare PIs with excellent overall performance by combining various modifications such as triphenyl pyridine structure, long-chain anhydride, trifluoromethyl, and thermal rearrangement reaction.
The missing small microplastics: easily generated from weathered plastic pieces in labs but hardly detected in natural environments
Authors: Du Fangni , Cai Huiwen , Su Lei , Wang Wei , Zhang Liwu , Sun Chengjun , Yan Beizhan , Shi Huahong
Published: December 2023

Plentiful small microplastics and nanoplastics can easily generate from weathered plastics, but few small microplastics and no nanoplatics could be detected in surrounding sediments, possibly due to a lack of suitable detection approach.
Sleep and cardiovascular disease
Authors: Miller Michelle A. , Howarth Nathan E.
Published: December 2023

This review centres around the recent evidence in examining the intersection of sleep and cardiovascular disease (CVD). Sleep in this review will be further subdivided to consider both sleep quantity and quality along and will also consider some of the more common sleep disorders, such as insomnia and obstructive sleep apnoea, in the context of CVD. Sleep disorders have been further explored in several specific populations which are both at risk of sleep disorders and CVD. Secondly, the review will present some of the risk factors for CVD that are affected by sleep and sleep disorders which include hypertension, diabetes, and obesity. It will also examine the potential underlying mechanisms including inflammation, appetite control, endocrine, and genetic processes that are affected by sleep and sleep disorders leading to increased risk of CVD development. In addition, we will consider the observed bi-directional relationships between sleep and cardiovascular risk factors. For example, obesity, a risk factor for CVD can be affected by sleep, but in turn can increase the risk of certain sleep disorder development which disrupts sleep, leading to further risk of obesity development and increased CVD risk. Finally, the review will explore emerging evidence around lifestyle interventions that have included a sleep component and how it impacts the management of CVD risk factor. The need for increased awareness of the health effects of poor sleep and sleep disorders will be discussed alongside the need for policy intervention to improve sleep to facilitate better health and well-being.
Online Aphasia Groups: Navigating Issues of Voice and Identity
Authors: Azios Jamie H. , Lee Jaime B. , Sigur Anna , Archer Brent , Elman Roberta J.
Published: December 2023

Purpose:

Participation in aphasia groups is associated with increased communication, reduced feelings of social isolation, and increased quality of life. Despite the growing popularity of online aphasia groups, little is known about how to manage conversation in this format. We examined online aphasia book club sessions to examine how the facilitator supported group members' participation in conversation.

Method:

Interactional sociolinguistic discourse analysis was used to analyze the behaviors and actions of the facilitator and group members. Qualitative data for this study were drawn from four recorded online aphasia book club sessions held through a university's free aphasia clinic on the Zoom web-conferencing platform.

Results:

Sociolinguistic discourse analysis revealed strategic facilitator behaviors that served to (a) give members with varying levels of verbal language abilities voice, (b) foreground or background aspects of voice, and (c) minimize her own voice to promote interactional symmetry between herself and group members.

Conclusions:

Identity formed the backdrop for facilitators' actions when leading online groups, guiding decisions about who got to talk, when, for how long, through what modality, and about what topics. A better understanding of the interactions that occur online, such as how to develop and protect the identities of group members, could equip facilitators with the tools necessary for facilitating positive, engaging aphasia therapy groups online.
Linking Oropharyngeal Swallowing Physiology and Functional Clinical Predictors in Amyotrophic Lateral Sclerosis
Authors: Garand Kendrea L. (Focht) , Malek Angela M. , Ambrocio Kevin Renz
Published: December 2023

Purpose:

We aimed to quantify oropharyngeal swallowing physiology in amyotrophic lateral sclerosis (ALS) and examine relationships between swallowing impairments and ratings of pulmonary function (forced vital capacity percent predicted, FVC % pre) and functional status (ALS Functional Rating Scale–Revised, ALSFRS-R).

Method:

A retrospective analysis of swallowing-related data of persons with ALS (PALS) was completed. Their Modified Barium Swallow Impairment Profile component, Oral Total (OT), and Pharyngeal Total (PT) scores were compared with data from age- (±1 year) and sex-matched healthy controls retrieved from an archival normative data set using Mann–Whitney
U
tests. Relationships between PALS' OT and PT scores, FVC % pre, and ALSFRS-R were examined using Pearson product–moment correlations and multiple linear regression modeling.

Results:

Twenty-one PALS (12 women), with a mean age of 62.2 ± 9.9 years, were included in the analyses. Compared to healthy controls, PALS exhibited significantly worse function across 13 (76%) physiological swallowing components (all
p
< .05). OT and PT scores significantly differed between PALS and healthy controls (each
p
< .001), with higher scores (worse impairment) observed in the former. When adjusting for age and sex, FVC % pre was a significant predictor of OT score (
p
= .045). An inverse relationship was found with ALSFRS-R and OT score (
p
= .052). FVC % pre (
p
= .061) and ALSFRS-R (
p
= .54) did not significantly predict PT score.

Conclusions:

PALS demonstrated swallowing impairments across oropharyngeal domains and the esophageal component. In our PALS cohort, FVC % pre was a useful clinical indicator of oral swallowing impairment.
Improved thermal hydraulic network modelling and error analysis in disc‐type transformer windings
Authors: Wang Yuan , Shi Chaoqun , Gao Meng , Xu Yang , Fu Mingli , Zhuo Ran
Published: December 2023

Temperature distribution in transformer windings is a crucial factor that influences the safe operation, and lifespan of an insulating system in an oil‐immersed power transformer. Thermal hydraulic network modelling (THNM) has been the subject of numerous studies because of its lower computation cost as compared to a computational fluid dynamics (CFD) simulation. This study proposes improvements to THNM, with primary focus on non‐uniformity of temperatures in the entry and exit vertical oil ducts, and the feasibility of using a piecewise fitting formula for Nusselt number (Nu) of convection heat transfer coefficient in transformer windings. The deviation of hot spot temperature was 0.3°C, and the location of hot spot for CFD and THNM was 34th disc and 35th disc, respectively. The calculation time of CFD and THNM was about 34 h and 35 s under the same computer hardware situations. This provides an acceptable THNM method for the rapid prediction of transformer hot spot temperature and location at low costs for digital twin.