bluuebunny/crossref_metadata_2025 huggingface dataset:
Investigating the electronic structure of high explosives with X-ray Raman spectroscopy
Authors: Paredes-Mellone Oscar A. , Nielsen Michael H. , Vinson John , Moua Konmeng , Skoien K. Dean , Sokaras Dimosthenis , Willey Trevor M.
Published: November 2022

We investigate the sensitivity and potential of a synergistic experiment-theory X-ray Raman spectroscopy (XRS) methodology on revealing and following the static and dynamic electronic structure of high explosive molecular materials. We show that advancedab-initiotheoretical calculations accounting for the core-hole effect based on the Bethe-Salpeter Equation (BSE) approximation are critical for accurately predicting the shape and the energy position of the spectral features of C and N core-level spectra. Moreover, the incident X-ray dose typical XRS experiments require can induce, in certain unstable structures, a prominent radiation damage at room temperature. Upon developing a compatible cryostat module for enabling cryogenic temperatures ($$\approx$$≈10 K) we suppress the radiation damage and enable the acquisition of reliable experimental spectra in excellent agreement with the theory. Overall, we demonstrate the high sensitivity of the recently available state-of-the-art X-ray Raman spectroscopy capabilities in characterizing the electronic structure of high explosives. At the same time, the high accuracy of the theoretical approach may enable reliable identification of intermediate structures upon rapid chemical decomposition during detonation. Considering the increasing availability of X-ray free-electron lasers, such a combined experiment-theory approach paves the way for time-resolved dynamic studies of high explosives under detonation conditions.
Serological and molecular prevalence study of bluetongue virus in small domestic ruminants in Morocco
Authors: Daif Soukaina , El Berbri Ikhlass , Lhor Youssef , Fassi Fihri Ouafaa
Published: November 2022

Bluetongue is an arthropod-borne viral disease transmitted by Culicoides biting midges, affecting domestic and wild ruminants. The current study aims to assess the seroprevalence of the bluetongue virus (BTV) and confirm its active circulation among sheep and goats populations in Morocco, as well as study the risk factors associated with BTV infection. To this end, a total of 1651 samples were randomly collected from 1376 sheep and 275 goats in eight (out of 12) regions of the country between March 2018 and July 2021.These samples were primarily tested using competitive ELISA (c-ELISA). Subsequently, 65% of c-ELISA positives (n = 452) were analyzed by real-time reverse transcription-polymerase chain reaction (RT-qPCR). The results revealed an overall BTV seroprevalence in small ruminants in Morocco of 41.7%, including 42.6% in sheep and 37.5% in goats. The RT-qPCR results showed that the overall BTV viropositivity rate was 46.7%, including 48.1% in sheep and 41.8% in goats. These viro-serological rates varied significantly by age, sex, and breed of the tested animals, husbandry method, season, and geographic origin. This indicates that these parameters constitute risk factors for BTV transmission routes in Morocco. The findings also indicate that goats play a role as reservoirs in maintaining the BTV in Morocco. It appears from this study that bluetongue is endemic in Morocco. The environmental and climate conditions as well as the husbandry methods adopted in the country are particularly favorable for the virus transmission throughout the country.
Reclamation of wastewater in wetlands using reed plants and biochar
Authors: Asaad Amany A. , El-Hawary Ahmed M. , Abbas Mohamed H. H. , Mohamed Ibrahim , Abdelhafez Ahmed A. , Bassouny Mohamed A.
Published: November 2022

To cope with water crisis, wastewater reuse has been introduced as a potential source for irrigation. On the other hand, irrigation with wastewater may negatively affect the surroundings. In this study, reed plant (Phragmits australis) and its biochar were tested as low-cost treatments to enhance the efficiency of wastewater reclamation in wetlands within only 72 h. The investigated water was of low irrigation quality and exhibited high contents of BOD5 and fecal coliform. Moreover, this water contained high levels of soluble cations and anions; besides, being marginally contaminated with Cu, Mn and Cd. After 2 days in the sedimentation unit, wastewater was subjected to three reclamation treatments in parallel (each lasted for 24 h): (1) a “sand & gravel bed”, (2) “reed plants grown on a sand & gravel bed” and (3) “biochar + a sand & gravel bed”. The results showed that all treatments decreased BOD5, fecal coliform, total cations and anions, with superiority for the second and third treatments. The levels of the potentially toxic elements also decreased to values within the permissible levels. Although the aforementioned wastewater treatment processes upgraded the quality of this water, it remained in the poor grade. Biochar or reed plants grown on sand and gravel beds significantly improved wastewater quality to the medium quality grade, with superiority for biochar treatment. In conclusion, investigated treatments are guaranteed in wetlands for wastewater reclamation; yet, further protocols should be followed to achieve safe handling of this water and attain the sustainable goals.
Proline, hydroxyproline, and pyrrolidone carboxylic acid derivatives as highly efficient but reversible transdermal permeation enhancers
Authors: Kopečná Monika , Macháček Miloslav , Roh Jaroslav , Vávrová Kateřina
Published: November 2022

Overcoming the skin barrier properties efficiently, temporarily, and safely for successful transdermal drug delivery remains a challenge. We synthesized three series of potential skin permeation enhancers derived from natural amino acid derivatives proline, 4-hydroxyproline, and pyrrolidone carboxylic acid, which is a component of natural moisturizing factor. Permeation studies using in vitro human skin identified dodecyl prolinates with N-acetyl, propionyl, and butyryl chains (Pro2, Pro3, and Pro4, respectively) as potent enhancers for model drugs theophylline and diclofenac. The proline derivatives were generally more active than 4-hydroxyprolines and pyrrolidone carboxylic acid derivatives. Pro2–4 had acceptable in vitro toxicities on 3T3 fibroblast and HaCaT cell lines with IC50 values in tens of µM. Infrared spectroscopy using the human stratum corneum revealed that these enhancers preferentially interacted with the skin barrier lipids and decreased the overall chain order without causing lipid extraction, while their effects on the stratum corneum protein structures were negligible. The impacts of Pro3 and Pro4 on an in vitro transepidermal water loss and skin electrical impedance were fully reversible. Thus, proline derivatives Pro3 and Pro4 have an advantageous combination of high enhancing potency, low cellular toxicity, and reversible action, which is important for their potential in vivo use as the skin barrier would quickly recover after the drug/enhancer administration is terminated.
Infancy, childhood, and puberty on the Silk Road revealed with isotopic analysis of incremental dentine
Authors: Wang Tingting , Wei Dong , Yi Bing , Jiang Hongen , Li Wenying , Hu Yaowu , Fuller Benjamin T.
Published: November 2022

Childhood is a unique phase in human life history, in which newborns are breastfed and weaned, and are progressively familiarized to adult diets. By investigating dietary changes from infancy to adolescence, valuable information regarding past cultural behaviors and aspects of human lives can be explored and elucidated. Here, in conjunction with published isotopic results of serial dentine (n = 21) from Yingpan Man, new δ13C and δ15N results are obtained from 172 samples of incremental dentine from 8 teeth of 8 individuals of the Yingpan cemetery, located in Xinjiang, China. The δ13C values range from – 18.2 to – 14.6‰ with a mean ± SD value of – 16.3 ± 0.9‰, and the δ15N results range between 13.4 and 19.9‰ with a mean ± SD value of 16.0 ± 1.4‰. This indicates that the childhood diets were mixtures of C3 and C4 dietary resources and were clearly influenced by breastfeeding and weaning practices. In particular, the findings indicate that there were significant inter-individual differences in terms of the timing and duration of breastfeeding and weaning practices as well as childhood dietary practices at Yingpan. For instance, three individuals were exclusively breastfed after birth, while, two individuals and Yingpan Man were not. In addition, the post-weaning diets of most Yingpan individuals were relatively stable, but one individual and Yingpan Man displayed clear evidence of increased consumption of C4 foods, likely millet, during late and post-weaning periods. Further, 7 individuals had unique dietary changes between 9 to 14 years old. Potential factors related to this are presented from the perspective of changes in social roles that might be caused by their early participation in the social division of labor or puberty and marriage.
RETRACTED ARTICLE: Hybrid nanoparticulate system of Fluvastatin loaded phospholipid, alpha lipoic acid and melittin for the management of colon cancer
Authors: Alfaleh Mohamed A. , Fahmy Omar , Al-Rabia Mohammed W. , Abourehab Mohammed A. S. , Ahmed Osama A. A. , Fahmy Usama A. , H. Alsulimani Helal , Badr-Eldin Shaimaa M. , Aldawsari Hibah M. , Aldhabi Bander M. , Alharbi Awaad S. , Alhakamy Nabil A.
Published: November 2022

As a hydroxymethylglutaryl coenzyme A (HMG-CoA) reductase inhibitor, Fluvastatin (FLV) is used for reducing low-density lipoprotein (LDL) cholesterol as well as to prevent cardiovascular problems. FLV showed cell line cytotoxicity and antitumor effect. Melittin (MEL) exhibits antineoplastic activity and is known to be promising as a therapeutic option for cancer patients. The aim of this work was to investigate the combination of FLV with MEL loaded hybrid formula of phospholipid (PL) with alpha lipoic acid (ALA) nanoparticles to maximize anticancer tendencies. This study examines the optimization of the prepared formulation in order to minimize nanoparticles size and maximize zeta potential to potentiate cytotoxic potentialities in colon cancer cells (Caco2), cell viability, cell cycle analysis and annexin V were tested. In addition to biological markers as P53, Bax, bcl2 and Caspase 3 evaluation The combination involving FLV PL ALA MEL showed enhanced cytotoxic potentiality (IC50 = 9.242 ± 0.35 µg/mL), about twofold lower, compared to the raw FLV (IC50 = 21.74 ± 0.82 µg/mL). According to studies analyzing cell cycle, optimized FLV PL ALA MEL was found to inhibit Caco2 colon cancer cells more significantly than other therapeutic treatments, wherein a higher number of cells were found to accumulate over G2/M and pre-G1 phases, whereas G0/G1/S phases witnessed the accumulation of a lower number of cells. The optimized formulation may pave the way for a novel and more efficacious treatment for colon cancer.
Model simulations unveil the structure-function-dynamics relationship of the cerebellar cortical microcircuit
Authors: De Schepper Robin , Geminiani Alice , Masoli Stefano , Rizza Martina Francesca , Antonietti Alberto , Casellato Claudia , D’Angelo Egidio
Published: November 2022

The cerebellar network is renowned for its regular architecture that has inspired foundational computational theories. However, the relationship between circuit structure, function and dynamics remains elusive. To tackle the issue, we developed an advanced computational modeling framework that allows us to reconstruct and simulate the structure and function of the mouse cerebellar cortex using morphologically realistic multi-compartmental neuron models. The cerebellar connectome is generated through appropriate connection rules, unifying a collection of scattered experimental data into a coherent construct and providing a new model-based ground-truth about circuit organization. Naturalistic background and sensory-burst stimulation are used for functional validation against recordings in vivo, monitoring the impact of cellular mechanisms on signal propagation, inhibitory control, and long-term synaptic plasticity. Our simulations show how mossy fibers entrain the local neuronal microcircuit, boosting the formation of columns of activity travelling from the granular to the molecular layer providing a new resource for the investigation of local microcircuit computation and of the neural correlates of behavior.
Representations and decodability of diverse cognitive functions are preserved across the human cortex, cerebellum, and subcortex
Authors: Nakai Tomoya , Nishimoto Shinji
Published: November 2022

Which part of the brain contributes to our complex cognitive processes? Studies have revealed contributions of the cerebellum and subcortex to higher-order cognitive functions; however, it has been unclear whether such functional representations are preserved across the cortex, cerebellum, and subcortex. In this study, we use functional magnetic resonance imaging data with 103 cognitive tasks and construct three voxel-wise encoding and decoding models independently using cortical, cerebellar, and subcortical voxels. Representational similarity analysis reveals that the structure of task representations is preserved across the three brain parts. Principal component analysis visualizes distinct organizations of abstract cognitive functions in each part of the cerebellum and subcortex. More than 90% of the cognitive tasks are decodable from the cerebellum and subcortical activities, even for the novel tasks not included in model training. Furthermore, we show that the cerebellum and subcortex have sufficient information to reconstruct activity in the cerebral cortex.
Observation of the proton emitter $${}_{\,57}^{116}$$La59
Authors: Zhang Wei , Cederwall Bo , Aktas Özge , Liu Xiaoyu , Ertoprak Aysegül , Nyberg Ayse , Auranen Kalle , Alayed Betool , Badran Hussam , Boston Helen , Doncel Maria , Forsberg Ulrika , Grahn Tuomas , Greenlees Paul T. , Guo Song , Heery Jacob , Hilton Joshua , Jenkins David , Julin Rauno , Juutinen Sakari , Luoma Minna , Neuvonen Olavi , Ojala Joonas , Page Robert D. , Pakarinen Janne , Partanen Jari , Paul Edward S. , Petrache Costel , Rahkila Panu , Ruotsalainen Panu , Sandzelius Mikael , Sarén Jan , Szwec Stuart , Tann Holly , Uusitalo Juha , Wadsworth Robert
Published: November 2022

The quantum tunneling and emission of a single constituent nucleon provide a beautifully simple and unique window into the complex properties of atomic nuclei at the extreme edge of nuclear existence. In particular, for odd-odd proton emitting nuclides, the associated decay energy and partial half-life can be used to probe the correlations between the valence neutrons and protons which have been theoretically predicted to favour a new type of nuclear superfluidity, isoscalar neutron-proton pairing, for which the experimental “smoking gun" remains elusive. In the present work, proton emission from the lanthanum isotope $${}_{\,57}^{116}$$

57

116

La59, 23 neutrons away from the only stable isotope $${}_{\,57}^{139}$$

57

139

La82, is reported. 116La nuclei were synthesised in the fusion-evaporation reaction 58Ni(64Zn, p5n)116La and identified via their proton radioactivity using the mass spectrometer MARA (Mass Analysing Recoil Apparatus) and the silicon detectors placed at its focal plane. Comparisons of the measured proton energy (Ep = 718 ± 9 keV) and half-life (T1/2 = 50 ± 22 ms) with values calculated using the Universal Decay Law approach indicate that the proton is emitted with an orbital angular momentum l = 2 and that its emission probability is enhanced relative to its closest, less exotic, odd-even lanthanum isotope ($${}_{\,57}^{117}$$

57

117

La60) while the proton-emission Q-value is lower. We propose this to be a possible signature for the presence of strong neutron-proton pair correlations in this exotic, neutron deficient system. The observations of γ decays from isomeric states in 116La and 117La are also reported.
Single Particle Inductively Coupled Plasma Mass Spectrometry: A Valuable Tool in Environmental Analysis
Authors: Bakir M. , Ben-Jeddou K. , Gimenez-Ingalaturre A. C. , Bolea E. , Laborda F.
Published: November 2022

The analysis of engineered nanoparticles in environmental samples involves their detection followed by their quantification and characterization. Single particle inductively coupled plasma mass spectrometry (SP-ICP-MS) is an atomic spectrometry technique that allows analytical information to be obtained about nanoparticles containing specific elements and their dissolved forms (element mass per particle, size, and number and mass concentrations). As a result of its outstanding performance, SP-ICP-MS has become a relevant technique for the analysis of environmental samples containing inorganic nanoparticles, but also in the context of ecotoxicological assays and laboratory studies for simulating the release and fate of nanomaterials under environmental conditions.
Dosimetry and Imaging of Micro and Nanoparticles by Means of High Resolution Techniques
Authors: Venus T. , Meyer T. , Zilberfain C. , Böttner J. , Lampen A. , Creutzenberg O. , Niehof M. , Meijer J. , Estrela-Lopis I.
Published: November 2022

The accumulation of particulate pollutants in the environment is one of the key issues of our time. There is a large number of micro and nanoparticles (MNP) in the environment, interfering with our daily life. For a better understanding of their potential hazardous effects, it is of utmost importance to reliably identify, visualize and quantify these particles in biotic and abiotic environments. In this chapter the use, advantages and limitations of state-of-the-art characterization tools are described, with additional focus on applications of element based dosimetric and molecular imaging of particulate matter in complex matrices.
The Challenge of the Analysis of Nanoplastics in the Environment: Current Status and Perspectives
Authors: Marigliano L. , Jimenez-Lamana J. , Szpunar J. , Reynaud S. , Grassl B.
Published: November 2022

Risk assessment and risk management are supported by reliable data concerning nanoplastic exposure. This chapter aims to present the state of the art of the current techniques available for the size determination, chemical composition and quantification of nanoplastics, as well as the emerging methods for their analysis. The different nanoplastic model materials found in the literature will be presented in the first part of this chapter.
European Union Legislation Addressing Environment, Health and Safety Aspects of Nanomaterials
Authors: Rasmussen K. , Schoonjans R. , Jantunen P. , Rauscher H.
Published: November 2022

An overview is provided of how European Union (EU) legislation addresses the safety of nanomaterials and micro(nano)plastics. The chemicals legislation supports the EU environmental policy and consists of an overarching framework, complemented with sector-specific legislation addressing specific uses of certain chemicals. Environmental legislation addressing quality of water, soil, air and waste does not address nanomaterials specifically. The European Commission has adopted a recommendation for the definition of ‘nanomaterial’, now used in some chemicals legislation. All legal definitions of nanomaterials are based on particle size (usually between 1 and 100 nm). Substances, including nanomaterials, that cannot be used safely or have certain undesired effects, can only be used under specific conditions, if at all. The Organisation for Economic Co-operation and Development developed global test methods for identifying regulatory relevant properties. Micro(nano)plastics still need to be defined in most legal contexts. Micro(nano)plastics in the environment often originate from degradation of released larger pieces of plastic. The EU plastics strategy seeks to limit the environmental release of plastic, e.g. through limiting the use of single-use plastic products, and a future ban of intentionally added micro(nano)plastics in products. The Drinking Water Directive requires the adoption of a methodology to measure microplastics by 2024.
Wettability effect on oil recovery using rock-structured microfluidics
Authors: Yang Junyi , Saadat Marzieh , Azizov Ilgar , Dudek Marcin , Øye Gisle , Tsai Peichun Amy
Published: November 2022

Surface wettability plays a crucial role in emulsion dynamics, fluid–fluid displacement, and various microfluidic applications. Using microfluidics, we elucidate the wettability effect on oil recovery in a rock-structured porous network.
Direct routes to functional RAFT agents from substituted N-alkyl maleimides
Authors: Catania Rosa , Foralosso Ruggero , Spanos Lampros , Russo Emanuele , Mastrotto Francesca , Gurnani Pratik , Butler Kevin , Williams Huw , Stolnik Snow , Mantovani Giuseppe
Published: November 2022

Three different routes are presented for the synthesis of functional RAFT agents from N-substituted maleimides, which are then used to synthesise α,β,ω-functional RAFT polymers.
Overview and considerations in bottom-up proteomics
Authors: Miller Rachel M. , Smith Lloyd M.
Published: November 2022

This review provides a broad overview of mass spectrometry-based proteomics and highlights four developing areas: (1) protein inference, (2) alternative proteases, (3) sample-specific databases and (4) post-translational modification discovery.
Miniprep assisted proteomics (MAP) for rapid proteomics sample preparation
Authors: Mousseau C. Bruce , Pierre Camille A. , Hu Daniel D. , Champion Matthew M.
Published: November 2022

Miniprep Assisted Proteomics (MAP) is a rapid approach to bottom-up proteomics sample preparation by adventitious binding to Si-DNA minipreps. This combines the consistency of a commercially produced column with the low-cost of in-house devices.
A calibration-free approach to detecting microRNA with DNA-modified gold coated magnetic nanoparticles as dispersible electrodes
Authors: Hoque Sharmin , Gonçales Vinicius R. , Bakthavathsalam Padmavathy , Tilley Richard D. , Gooding J. Justin
Published: November 2022

Herein is shown an approach to using gold coated magnetic nanoparticles as dispersible electrodes for ultralow detection of circulating nucleic acids that requires no calibration to achieve quantitative information.
Dinuclear nitrido-bridged osmium complexes inhibit the mitochondrial calcium uniporter and protect cortical neurons against lethal oxygen–glucose deprivation
Authors: Woods Joshua J. , Novorolsky Robyn J. , Bigham Nicholas P. , Robertson George S. , Wilson Justin J.
Published: November 2022

We have investigated the biological properties of the osmium analogue of a potent ruthenium-based mitochondrial calcium uniporter inhibitor and have found it to possess distinct properties.
Promoting effect of amorphous support on ruthenium-based catalyst for electrochemical hydrogen evolution reaction
Authors: Ren Zhandong , Tian Miaojie , Cong Ning , Jiang Hucheng , Jiang Hongwei , Xie Zhiqiang , Han Juanjuan , Zhu Yuchan
Published: November 2022

Ru with lattice defects on amorphous Co support as highly efficient catalyst for hydrogen evolution with a low overpotential in alkaline solution.
Bifunctional covalent bromine: an advanced redox mediator for rechargeable lithium–oxygen batteries
Authors: Li Chu-Yue , Wu Min-Sheng , Chen Wei-Rong , Rong Yuan-Jia , Wang Qian-Yan , Zhang Xiao-Ping
Published: November 2022

In this work, we introduce trimethylbromosilane (C3H9SiBr), which can protect lithium metal anodes via an in situ formed SEI layer while catalyzing the decomposition of Li2O2.
Development and assessment of an improved powder-diffraction-based method for molecular crystal structure similarity
Authors: Mayo R. Alex , Otero-de-la-Roza Alberto , Johnson Erin R.
Published: November 2022

The improved variable-cell powder difference (VC-PWDF) method provides a valuable addition to the toolbox of quantitative methods for crystal structure comparison.
Intercalation and reactions of CO under single layer graphene/Ni(111): the role of vacancies
Authors: Davì Rocco , Carraro Giovanni , Stojkovska Marija , Smerieri Marco , Savio Letizia , Gallet Jean-Jacques , Bournel Fabrice , Rocca Mario , Vattuone Luca
Published: November 2022

We use synchrotron radiation-induced core level photoemission spectroscopy to investigate the influence of vacancies, produced by ion bombardment, on monolayer graphene/Ni(111) exposed to CO at pressures ranging from ultra-high vacuum up to near ambient (5.6 mbar) conditions.
A Z-scheme 2D/0D ZnIn2S4/ZnO heterostructure for efficient photocatalytic degradation of tetracycline: energy band engineering and morphology modulation
Authors: Wang Ru , Xie Xiaoyu , Xu Chunxiang , Ji Rendong , Shi Zengliang , Cui Qiannan , Wang Mingliang
Published: November 2022

A hierarchical 2D/0D ZnIn2S4/ZnO heterostructure with a Z-scheme energy band configuration was fabricated for the efficient degradation of tetracycline.
Atomically dispersed s-block metal calcium site modified mesoporous g-C3N4for boosting photocatalytic N2reduction
Authors: Pan Guoliang , Zhang Wensheng , Liu Tianren , Tan Qingmei , Wei Binzhe , Ye Kaihang , Yang Yingxin , Han Dongxue , Liu Zhenbang , Niu Li
Published: November 2022

Alkaline-earth metal elements in the s-block of the periodic table have rarely been studied as active sites for nitrogen (N2) photofixation.
Nicotinamide riboside ameliorates high-fructose-induced lipid metabolism disorder in mice via improving FGF21 resistance in the liver and white adipose tissue
Authors: Zhao Hui , Tian Yingjie , Zuo Yuwei , Zhang Xiaoqi , Gao Yijun , Wang Peng , Sun Lirui , Zhang Huaqi , Liang Hui
Published: November 2022

NR supplementation could ameliorate high-fructose-induced lipid metabolism disorder by improving FGF21 resistance in the liver and WAT, which may be related to the inflammation state mediated by SIRT1/NF-κB signaling pathway.
Strain-specific effect of Limosilactobacillus fermentum with distinct genetic lineages on loperamide-induced constipation in mice: attributing effects to certain genes
Authors: Zhao Yan , Zhang Chengcheng , Yu Leilei , Tian Fengwei , Zhao Jianxin , Zhang Hao , Chen Wei , Zhai Qixiao
Published: November 2022

The protective effect of 5 L. fermentum from different phylogenetic clades on constipation mice were studied. Based on comparative genomic analysis, 4 another L. fermentum were selected to validate our hypothesis.
Smartphone surface plasmon resonance imaging for the simultaneous and sensitive detection of acute kidney injury biomarkers with noninvasive urinalysis
Authors: Zhang Qingwen , Li Yang , Hu Qianqian , Xie Ruifeng , Zhou Wenjing , Liu Xiaohu , Wang Yi
Published: November 2022

A smartphone surface plasmon resonance imaging (SPRi) platform was developed for the simultaneous and sensitive detection of multiple acute kidney injury (AKI) biomarkers in urine.
A facile and scalable patterning approach for ultrastretchable liquid metal features
Authors: Hu Gaohua , Wang Shaolei , Yu Jiyuan , Zhang Jiaxue , Sun Yuping , Kong Desheng
Published: November 2022

A screen printing-based patterning approach allows the economical and scalable fabrication of stretchable liquid metal features for a wide range of applications in soft electronic devices and systems.
Graphene oxide modulates dendritic cell ability to promote T cell activation and cytokine production
Authors: Parker Helen , Gravagnuolo Alfredo Maria , Vranic Sandra , Crica Livia Elena , Newman Leon , Carnell Oliver , Bussy Cyrill , Dookie Rebecca S. , Prestat Eric , Haigh Sarah J. , Lozano Neus , Kostarelos Kostas , MacDonald Andrew S.
Published: November 2022

sGO–OVA nanocomplexes increase uptake of OVA protein by dendritic cells, enhancing their ability to induce CD4+ T cell granzyme B secretion and Foxp3 expression.
Functional polydiynes prepared by metathesis cyclopolymerization of 1,7-dihalogen-1,6-heptadiyne derivatives
Authors: Yang Fulin , Zhang Zhiming , Chen Manyu , Zhang Haoke , Zhang Jie , Sun Jing Zhi
Published: November 2022

The MCP route used for the polymerization of 1,6-heptadiynes was successfully applied to the polymerization of 1,7-dihalogen-1,6-heptadiynes, and the target polymers were obtained in high yield with high molecular weight and unique UCST behavior.
Thiol for interfacial modification to improve the performance of lithium–sulfur batteries
Authors: Shi Chenyang , Shao Shiyu , Zong Chuanxin , Gu Jiahao , Huang Zeyu , Wang Qiyu , Hong Bo , Wang Mengran , Zhang Zhian , Li Jie , Lai Yanqing
Published: November 2022

In this paper, TBBT, with thiol functional groups, is chosen as an electrolyte additive that can react with polysulfides to form an organic copolymer during cycling, suppressing the dissolution and diffusion of polysulfides in the electrolyte.
Reply to the ‘Comment on “Structural, electrical and multiferroic characteristics of lead-free multiferroic: Bi(Co0.5Ti0.5)O3–BiFeO3 solid solution”’ by P. E. Tomaszewski, RSC Adv., 2022, 12, DOI: 10.1039/D1RA08415A
Authors: Kumar Nitin , Shukla Alok , Kumar Nripesh , Choudhary R. N. P. , Kumar Ajeet
Published: November 2022

A solid solution of Bi(Co0.40Ti0.40Fe0.20)O3 was synthesized via a simple and cost effective solid-state technique, and various properties were investigated. Phase identification of the samples was performed using powder X-ray diffraction data with POWDMULT software.
Preparation of chitosan-coated polystyrene microspheres for the analysis of trace Pb(ii) ions in salt by GF-AAS assisted with solid-phase extraction
Authors: Ding Xingyu , Teng Xin , She Zhuxin , Li Yi , Liu Yuanyuan , Zhuang Ying , Wang Chaochao
Published: November 2022

Chitosan-coated polystyrene solid-phase extraction fillers.
Tracing carbonation in cementitious slurry using anthocyanin extracted from fresh or stale petals
Authors: Cui Dong , Liu Wenya , Wang Jing , Gu Chunping , Wan Yi , Wang Junsong
Published: November 2022

Anthocyanins extracted from flowers were prepared to trace carbonation in cementitious materials. For condition where a broad partial carbonated zone is presented, the new-developed indicator is more competitive over phenolphthalein.
Tunable high-sensitivity sensing detector based on Bulk Dirac semimetal
Authors: Wang Xingyu , Lin Jiangchuan , Yan Zhiyang , Yi Zao , Yu Jiaxin , Zhang Wei , Qin Feng , Wu Xianwen , Zhang Jianguo , Wu Pinghui
Published: November 2022

We propose a tunable narrow-band sensing detector with an Au-polyimide-Dirac semimetal structure. Simulations show >99.8% absorptivity at 2.4–5.2 THz. The sensor has active tunability, high refractive index sensitivity, angle insensitivity, and good sensing performance.
Improving the potential of ethyl acetate green anti-solvent to fabricate efficient and stable perovskite solar cells
Authors: Mohammed Mustafa K. A. , Singh Sangeeta , Al-Mousoi Ali K. , Pandey Rahul , Madan Jaya , Dastan Davoud , Ravi G.
Published: November 2022

The current study solves the ineptitude of the typical ethyl acetate green anti-solvent by adding potassium thiocyanate (KSCN).
Multi-step phase transition crystal with dielectric constant bistability and temperature-dependent conductivity
Authors: Feng W. B. , Xu W. , Duan H. B. , Zhang H.
Published: November 2022

[C4-bmim][Ni(mnt)2] (1) undergoes three-step phase transition with four phases before melting and has two-step dielectric constant bistability and temperature-dependent conducting properties.
Cis–trans isomerization of dimethyl 2,3-dibromofumarate
Authors: Vo Timothy H. , Korlacki Rafał , Sinitskii Alexander
Published: November 2022

The bromination of dimethyl acetylenedicarboxylate initially results in mostly trans dimethyl 2,3-dibromofumarate, which then converts into the more stable cis isomer. The trans-to-cis conversion is spontaneous and greatly accelerated by light.
Bifunctional organoboron–phosphonium catalysts for coupling reactions of CO2 and epoxides
Authors: Sengoden Mani , Bhat Gulzar A. , Darensbourg Donald J.
Published: November 2022

A series of organoborane phosphonium salts have been shown to be very effective catalysts for the copolymerization of alicyclic epoxides with CO2 or the cycloaddition of aliphatic epoxides and CO2 to afford polycarbonates or cyclic carbonates, respectively.
Balanced change in crystal unit cell volume and strain leads to stable halide perovskite with high guanidinium content
Authors: Serafini Patricio , Gualdrón-Reyes Andrés F. , Sánchez Rafael S. , Barea Eva M. , Masi Sofia , Mora-Seró Iván
Published: November 2022

This study highlights that PbS QDs stabilize the target 15% guanidinium based perovskite solar cells due to a synergic combination of compressive strain and volume expansion of the MAPbI3 perovskite unit crystal cells.
Effective corrosion inhibition of mild steel in hydrochloric acid by newly synthesized Schiff base nano Co(ii) and Cr(iii) complexes: spectral, thermal, electrochemical and DFT (FMO, NBO) studies
Authors: Melhi Saad , Bedair Mahmoud A. , Alosaimi Eid H. , Younes Ayman A. O. , El-Shwiniy Walaa H. , Abuelela Ahmed M.
Published: November 2022

Two Co(ii) and Cr(iii) complexes were synthesized, characterized and examined as corrosion inhibitors. The electrochemical data showed high inhibition efficiencies with mixed-type behavior. FMO and NBO were considered for the computational analysis.
Direct formation and site-selective elaboration of methionine sulfoximine in polypeptides
Authors: Ding Yuxuan , Pedersen Simon S. , Lin Alex , Qian Ruoyu , Ball Zachary T.
Published: November 2022

Sulfoximines are emerging moieties for medicinal and biological chemistry. This work describes the late-stage incorporation of methionine sulfoximine residues into polypeptides and chemoselective subsequent elaboration of NH-sulfoximines.
Molecular flavin catalysts for C–H functionalisation and derivatisation of dehydroamino acids
Authors: Rehpenn Andreas , Walter Alexandra , Storch Golo
Published: November 2022

Molecular flavin photocatalysts enable the oxidative functionalisation of diene and dehydroamino acid substrates. Covalent catalyst–substrate adducts are formed under the catalysis conditions and react with the persistent radical TEMPO.
An exchange coupled meso–meso linked vanadyl porphyrin dimer for quantum information processing
Authors: Ranieri Davide , Santanni Fabio , Privitera Alberto , Albino Andrea , Salvadori Enrico , Chiesa Mario , Totti Federico , Sorace Lorenzo , Sessoli Roberta
Published: November 2022

A combined EPR and DFT study of a suitably designed vanadyl-porphyrin dimer revealed promising properties for quantum information processing applications, such as single qubit addressability and relevant intramolecular exchange interactions.
Multiple remote C(sp3)–H functionalizations of aliphatic ketones via bimetallic Cu–Pd catalyzed successive dehydrogenation
Authors: Li Hongyi , Yin Chang , Liu Sien , Tu Hua , Lin Ping , Chen Jing , Su Weiping
Published: November 2022

The dehydrogenation-triggered multiple C(sp3)–H functionalizations at remote positions γ, δ or ε, ζ to carbonyl groups of aliphatic ketones with carboxylic acids as coupling partners have been achieved using a bimetallic Cu–Pd catalyst system.
Decarboxylative sulfoximination of benzoic acids enabled by photoinduced ligand-to-copper charge transfer
Authors: Xu Peng , Su Wanqi , Ritter Tobias
Published: November 2022

We report the first decarboxylative sulfoximination of benzoic acidsviaphotoinduced ligand-to-copper charge transfer. The transformation proceeds at ambient reaction temperature and demonstrates broad substrate scope.
Correction: Stereomutation and chiroptical bias in the kinetically controlled supramolecular polymerization of cyano-luminogens
Authors: López-Gandul Lucía , Naranjo Cristina , Sánchez Cecilia , Rodríguez Rafael , Aparicio Fátima , Gómez Rafael , Crassous Jeanne , Sánchez Luis
Published: November 2022

Correction for ‘Stereomutation and chiroptical bias in the kinetically controlled supramolecular polymerization of cyano-luminogens’ by Lucía López-Gandul et al., Chem. Sci., 2022, 13, 11577–11584, https://doi.org/10.1039/D2SC03449B.
Effect of surfactant addition on disperser disintegration of water hyacinth: a new insight to overcome the inhibitory effects of lignin on methanogenesis and improve the energy and economic aspects
Authors: Banu J Rajesh , S Kavitha , Kannah R Yukesh , J Jayakodi , Kumar Gopalakrishnan , Tyagi Vinay Kumar , Bhatia Shashi Kant
Published: November 2022

A cost- and time-saving strategy for the recovery of biomethane from water hyacinth using an energy-efficient combined pretreatment.
Defect engineering in the MA2Z4 monolayer family for enhancing the hydrogen evolution reaction: first-principles calculations
Authors: Jia Baonan , Wei Feng , Hao Jinbo , Zhao Zhengqin , Peng Jiankang , Wu Ge , Zhang Chunling , Zhang Xinhui , Liu Gang , Zhang Qi , Lu Pengfei
Published: November 2022

The designed defect MA2Z4 monolayer family is highly activated toward HER electrocatalysts.
Stable Zr(iv) coordination polymers with electroactive metal-terpyridine units for enhanced electrochemical sensing dopamine
Authors: Yan Tingting , Zhang Xiao-Yu , Zhao Yue , Sun Wei-Yin
Published: November 2022

Incorporating electroactive molecular metal-terpyridine complexes into stable Zr(iv) coordination polymers could result in enhanced electrochemical sensing properties.
Ultra-durable and flexible fibrous mild quasi-solid-state Ag–Zn batteries with Na2SO4electrolyte additive
Authors: Li Chaowei , Wang Wenhui , Sun Xiaojuan , Hou Haili , Zheng Chen , Zhang Jinagchao , Hou Fengjun , Zhang Daojun , Du Jimin , Yao Yagang
Published: November 2022

The synergistic effect of Cl−ion stabilizing the Ag cathode , the Na+ion regulating the Zn deposition and the flexibility of carbon nanotube fibers endows fibrous quasi-solid-state mild Ag–Zn batteries with admirable durability and flexibility.
Surface antimicrobial functionalization with polymers: fabrication, mechanisms and applications
Authors: Wang Chen-Gang , Surat'man Nayli Erdeanna Binte , Mah Justin Jian Qiang , Qu Chenyang , Li Zibiao
Published: November 2022

In this review, the development, mechanism and applications of antimicrobial surfaces with polymer-based modification strategies are highlighted.
Ferroelectric 2D antimony oxides with wide bandgaps
Authors: Bhattarai Romakanta , Ni Kai , Shen Xiao
Published: November 2022

Two 2D polymorphs of antimony dioxide, γ-Sb2O4 and δ-Sb2O4, are predicted using the evolutionary algorithm and first-principles calculations. Out-of-plane ferroelectricity is found in γ-Sb2O4, while in-plane ferroelectricity is found in δ-Sb2O4.
Hierarchical copper nanostructures synthesized on microparticles for improved photothermal conversion in photonic sintering of copper-based printed electrodes
Authors: Lee Jae-Won , Kim Juhee , Kwak Ji Hye , Kim Jung Hoon , Jeong Sooyeon , Han Joong Tark , Lee Geon-Woong , Baeg Kang-Jun , Hong Kyong-Soo , Yang Imjeong H.-S. , Jeong Hee Jin
Published: November 2022

Photonic sintering of Cu-particle-based printed patterns using intense pulsed light (IPL) is a promising route to the large-scale fabrication of printed electronics for commercial applications.
Observation of helical self-assembly in cyclic triphosphazene-based columnar liquid crystals bearing chiral mesogenic units
Authors: Rani Shruti , Punjani Vidhika , Gupta Santosh Prasad , Kanakala Madhu Babu , Yelamaggad C. V. , Pal Santanu Kumar
Published: November 2022

Cyclotriphosphazene-based discotic liquid crystals are reported exhibiting helicoildal columnar arrangement and fluorescence turn-on phenomenon.
The C-terminal region of phytoene synthase is a key element to control carotenoid biosynthesis in the haloarchaeon Haloferax volcanii
Authors: Cerletti Micaela , Rabino Agustín , Paggi Roberto A. , Ferrari Celeste , Poetsch Ansgar , Savilahti Harri , Kiljunen Saija , De Castro Rosana E.
Published: November 2022

Phytoene synthase (PSY) converts two molecules of geranyl-geranyl diphosphate to phytoene, the key regulatory step in carotenogenesis. However, post-translational mechanisms that control PSY expression are scarcely understood. Carotenoid biosynthesis (mainly bacterioruberin) is a distinctive feature of haloarchaea thriving in hypersaline environments. Carotenogenesis is negatively regulated by the AAA+ LonB protease in the haloarchaeon Haloferax volcanii as it controls PSY degradation. We investigated the relevance of the C-terminal portion of HvPSY as a regulatory element for carotenoid biosynthesis. H. volcanii mutants were constructed to express full-length HvPSY protein (strain HVPSYwt) and truncated HvPSY lacking 10 (HVPSY10), 20 (HVPSY20) or 34 amino acids (HVPSY34) at the C-terminus. Cells of HVPSY20 and HVPSY34 showed hyperpigmentation (bacterioruberin content 3-fold higher than HVPSYwt) which correlated with increased PSY protein abundance (2-fold in HVPSY34) while they contained less psy transcript level compared with HVPSYwt. In vivo degradation assays showed that HvPSY34 was more stable than HvPSYwt. Collectively, these results show that the C-terminal region of HvPSY contains a ‘recognition determinant’ for proteolysis in H. volcanii. Preliminary evidence suggests that LonB is involved in the recognition mechanism. This study provides the first identification of a regulatory sequence in an archaeal PSY for the post-translational control of carotenogenesis.
Phase separation and other forms of α-Synuclein self-assemblies
Authors: Poudyal Manisha , Sakunthala Arunima , Mukherjee Semanti , Gadhe Laxmikant , Maji Samir K
Published: November 2022

α-Synuclein (α-Syn) is a natively unstructured protein, which self-assembles into higher-order aggregates possessing serious pathophysiological implications. α-Syn aberrantly self-assembles into protein aggregates, which have been widely implicated in Parkinson’s disease (PD) pathogenesis and other synucleinopathies. The self-assembly of α-Syn involves the structural conversion of soluble monomeric protein into oligomeric intermediates and eventually fibrillar aggregates of amyloids with cross-β-sheet rich conformation. These aggregated α-Syn species majorly constitute the intraneuronal inclusions, which is a hallmark of PD neuropathology. Self-assembly/aggregation of α-Syn is not a single-state conversion process as unfolded protein can access multiple conformational states through the formation of metastable, transient pre-fibrillar intermediate species. Recent studies have indicated that soluble oligomers are the potential neurotoxic species responsible for cell death in PD pathogenesis. The heterogeneous and transient nature of oligomers formed during the early stage of aggregation pathway limit their detailed study in understanding the structure–toxicity relationship. Moreover, the precise molecular events occurring in the early stage of α-Syn aggregation process majorly remain unsolved. Recently, liquid–liquid phase separation (LLPS) of α-Syn has been designated as an alternate nucleation mechanism, which occurs in the early lag phase of the aggregation pathway leading to the formation of dynamic supramolecular assemblies. The stronger self-association among the protein molecules triggers the irreversible liquid-to-solid transition of these supramolecular assemblies into the amyloid-like hydrogel, which may serve as a reservoir entrapping toxic oligomeric intermediates and fibrils. This review strives to provide insights into different modes of α-Syn self-assemblies including LLPS-mediated self-assembly and its recent advancements.
American Speech-Language-Hearing Association Clinical Practice Guideline on Aural Rehabilitation for Adults With Hearing Loss
Authors: Aural Rehabilitation Clinical Practice Guideline Development  , Basura Gregory , Cienkowski Kathleen , Hamlin Lise , Ray Christin , Rutherford Cherilee , Stamper Greta , Schooling Tracy , Ambrose Julie
Published: November 2022

Background:

Hearing loss poses a significant public health challenge as a common chronic condition with many known side effects that are often worse when left untreated. Aural rehabilitation (AR) is an umbrella term that encompasses a range of interventions (e.g., informational counseling and perceptual training) designed to reduce deficits related to hearing loss that may stand alone or be used in combination as part of a holistic plan.

Purpose:

This evidence-based clinical practice guideline is intended to inform the implementation of person-centered AR to adults with hearing loss. Given the well-known benefits of sensory management, it was not included within the scope of this guideline. The recommendations aim to help clinicians, individuals with hearing loss, and other stakeholders make evidence-informed treatment decisions and improve clinical outcomes, as well as provide payers and policymakers with information detailing a comprehensive approach to AR.

Method:

The American Speech-Language-Hearing Association (ASHA) and a multidisciplinary panel of subject matter experts prioritized key clinical questions and outcomes that served as the foundation of the guideline. The clinical recommendations were based on a comprehensive systematic review and a meta-analysis of 85 studies published between 1978 and 2021.

Recommendations:

Given the current state of the evidence, resource considerations, patient acceptability, clinical feasibility, and the overall balance of benefits and harms, ASHA developed several evidence-based recommendations for the provision of AR to adults with hearing loss. Each recommendation is accompanied by a series of key practice points to support its implementation within a person-centered framework.
American Speech-Language-Hearing Association Clinical Practice Guideline: Cognitive Rehabilitation for the Management of Cognitive Dysfunction Associated With Acquired Brain Injury
Authors:   Guideline Development Panel Jessica Brown Conceptualization Formal analysis Writing – original draft Writing – review & editing Darryl Kaelin Conceptualization Formal analysis Writing – original draft Writing – review & editing Erin Mattingly Conceptualization Formal analysis Writing – original draft Writing – review & editing Catherine Mello Conceptualization Formal analysis Writing – original draft Writing – review & editing E. Sam Miller Conceptualization Formal analysis Writing – original draft Writing, Frymark Tobi , Bowen Rebecca
Published: November 2022

Background:

Cognitive-communication impairments following acquired brain injury (ABI) can have devastating effects on a person's ability to participate in community, social, vocational, and academic preinjury roles and responsibilities. Guidelines for evidence-based practices are needed to assist speech-language pathologists (SLPs) and other rehabilitation specialists in the delivery of cognitive rehabilitation for the adult population.

Purpose:

The American Speech-Language-Hearing Association, in conjunction with a multidisciplinary panel of subject matter experts, developed this guideline to identify best practice recommendations for the delivery of cognitive rehabilitation to adults with cognitive dysfunction associated with ABI.

Method:

A multidisciplinary panel identified 19 critical questions to be addressed in the guideline. Literature published between 1980 and 2020 was identified based on a set of a priori inclusion/exclusion criteria, and main findings were pooled and organized into summary of findings tables. Following the principles of the Grading of Recommendations Assessment, Development and Evaluation Evidence to Decision Framework, the panel drafted recommendations, when appropriate, based on the findings, overall quality of the evidence, balance of benefits and harms, patient preferences, resource implications, and the feasibility and acceptability of cognitive rehabilitation.

Recommendations:

This guideline includes one overarching evidence-based recommendation that addresses the management of cognitive dysfunction following ABI and 11 subsequent recommendations focusing on cognitive rehabilitation treatment approaches, methods, and manner of delivery. In addition, this guideline includes an overarching consensus-based recommendation and seven additional consensus recommendations highlighting the role of the SLP in the screening, assessment, and treatment of adults with cognitive dysfunction associated with ABI. Future research considerations are also discussed.