bluuebunny/crossref_metadata_2025 huggingface dataset:
Statistical learning of engineered topological phases in the kagome superlattice of AV3Sb5
Authors: Mertz Thomas , Wunderlich Paul , Bhattacharyya Shinibali , Ferrari Francesco , Valentí Roser
Published: April 2022

Recent experimental findings have reported the presence of unconventional charge orders in the enlarged (2 × 2) unit-cell of kagome metals AV3Sb5(A = K, Rb, Cs) and hinted towards specific topological signatures. Motivated by these discoveries, we investigate the types of topological phases that can be realized in such kagome superlattices. In this context, we employ a recently introduced statistical method capable of constructing topological models for any generic lattice. By analyzing large data sets generated from symmetry-guided distributions of randomized tight-binding parameters, and labeled with the corresponding topological index, we extract physically meaningful information. We illustrate the possible real-space manifestations of charge and bond modulations and associated flux patterns for different topological classes, and discuss their relation to present theoretical predictions and experimental signatures for the AV3Sb5family. Simultaneously, we predict higher-order topological phases that may be realized by appropriately manipulating the currently known systems.
2D spontaneous valley polarization from inversion symmetric single-layer lattices
Authors: Zhang Ting , Xu Xilong , Huang Baibiao , Dai Ying , Ma Yandong
Published: April 2022

2D spontaneous valley polarization attracts great interest both for its fundamental physics and for its potential applications in advanced information technology, but it can only be obtained from inversion asymmetric single-layer crystals, while the possibility to create 2D spontaneous valley polarization from inversion symmetric single-layer lattices remains unknown. Here, starting from inversion symmetric single-layer lattices, a general design principle for realizing 2D spontaneous valley polarization based on van der Waals interaction is mapped out. Using first-principles calculations, we further demonstrate the feasibility of this design principle in a real material of T-FeCl2. More remarkably, such design principle exhibits the additional exotic out-of-plane ferroelectricity, which could manifest many distinctive properties, for example, ferroelectricity-valley coupling and magnetoelectric coupling. The explored design-guideline and phenomena are applicable to a vast family of 2D materials. Our work not only opens up a platform for 2D valleytronic research but also promises the fundamental research of coupling physics in 2D lattices.
Field-tunable toroidal moment and anomalous Hall effect in noncollinear antiferromagnetic Weyl semimetal Co1/3TaS2
Authors: Park Pyeongjae , Kang Yoon-Gu , Kim Junghyun , Lee Ki Hoon , Noh Han-Jin , Han Myung Joon , Park Je-Geun
Published: April 2022

Combining magnetism with band topology provides various novel phases that are otherwise impossible. Among several cases, noncollinear metallic antiferromagnets can reveal particularly rich topological physics due to their diverse magnetic ground states. However, there are only a few experimental studies due to the lack of suitable materials, especially with triangular lattice antiferromagnets. Here, we report that metallic triangular antiferromagnet Co1/3TaS2 exhibits a substantial anomalous Hall effect (AHE) related to its noncollinear magnetic order. Our first-principles calculations found that hourglass Weyl fermions from the non-symmorphic symmetry trigger AHE. We further show that AHE in Co1/3TaS2 can be characterized by the toroidal moment, a vortex-like multipole component that arises from a combination of chiral lattice and geometrical frustration. Finally, the unusual field-tunability of the toroidal moment puts Co1/3TaS2 as a rare example of a noncollinear metallic antiferromagnet filled with interesting magnetic and topological properties.
Super-bridging fibrous materials for water treatment
Authors: Lapointe Mathieu , Jahandideh Heidi , Farner Jeffrey M. , Tufenkji Nathalie
Published: April 2022

To deal with issues of process sustainability, cost, and efficiency, we developed materials reengineered from fibers to serve as super-bridging agents, adsorbents, and ballast media. These sustainable fiber-based materials considerably increased the floc size (~6,630 µm) compared to conventional physicochemical treatment using a coagulant and a flocculant (~520 µm). The materials also reduced coagulant usage (up to 40%) and flocculant usage (up to 60%). These materials could be used in synergy with coagulants and flocculants to improve settling in existing water treatment processes and allow facilities to reduce their capital and operating costs as well as their environmental footprint. Moreover, the super-sized flocs produced using fiber-based materials (up to ~13 times larger compared to conventional treatment) enabled easy floc removal by screening, eliminating the need for a settling tank, a large and costly process unit. The materials can be effective solutions at removing classical (e.g., natural organic matter (NOM) and phosphorus) and emerging contaminants (e.g., microplastics and nanoplastics). Due to their large size, Si- and Fe-grafted fiber-based materials can be easily recovered from sludge and reused multiple times.
Pangenome-based genome inference allows efficient and accurate genotyping across a wide spectrum of variant classes
Authors: Ebler Jana , Ebert Peter , Clarke Wayne E. , Rausch Tobias , Audano Peter A. , Houwaart Torsten , Mao Yafei , Korbel Jan O. , Eichler Evan E. , Zody Michael C. , Dilthey Alexander T. , Marschall Tobias
Published: April 2022

Typical genotyping workflows map reads to a reference genome before identifying genetic variants. Generating such alignments introduces reference biases and comes with substantial computational burden. Furthermore, short-read lengths limit the ability to characterize repetitive genomic regions, which are particularly challenging for fastk-mer-based genotypers. In the present study, we propose a new algorithm, PanGenie, that leverages a haplotype-resolved pangenome reference together withk-mer counts from short-read sequencing data to genotype a wide spectrum of genetic variation—a process we refer to as genome inference. Compared with mapping-based approaches, PanGenie is more than 4 times faster at 30-fold coverage and achieves better genotype concordances for almost all variant types and coverages tested. Improvements are especially pronounced for large insertions (≥50 bp) and variants in repetitive regions, enabling the inclusion of these classes of variants in genome-wide association studies. PanGenie efficiently leverages the increasing amount of haplotype-resolved assemblies to unravel the functional impact of previously inaccessible variants while being faster compared with alignment-based workflows.
Interindividual variability in transgene mRNA and protein production following adeno-associated virus gene therapy for hemophilia A
Authors: Fong Sylvia , Yates Bridget , Sihn Choong-Ryoul , Mattis Aras N. , Mitchell Nina , Liu Su , Russell Chris B. , Kim Benjamin , Lawal Adebayo , Rangarajan Savita , Lester Will , Bunting Stuart , Pierce Glenn F. , Pasi K. John , Wong Wing Yen
Published: April 2022

Factor VIII gene transfer with a single intravenous infusion of valoctocogene roxaparvovec (AAV5-hFVIII-SQ) has demonstrated clinical benefits lasting 5 years to date in people with severe hemophilia A. Molecular mechanisms underlying sustained AAV5-hFVIII-SQ-derived FVIII expression have not been studied in humans. In a substudy of the phase 1/2 clinical trial (NCT02576795), liver biopsy samples were collected 2.6–4.1 years after gene transfer from five participants. Primary objectives were to examine effects on liver histopathology, determine the transduction pattern and percentage of hepatocytes transduced with AAV5-hFVIII-SQ genomes, characterize and quantify episomal forms of vector DNA and quantify transgene expression (hFVIII-SQ RNA and hFVIII-SQ protein). Histopathology revealed no dysplasia, architectural distortion, fibrosis or chronic inflammation, and no endoplasmic reticulum stress was detected in hepatocytes expressing hFVIII-SQ protein. Hepatocytes stained positive for vector genomes, showing a trend for more cells transduced with higher doses. Molecular analysis demonstrated the presence of full-length, inverted terminal repeat-fused, circular episomal genomes, which are associated with long-term expression. Interindividual differences in transgene expression were noted despite similar successful transduction, possibly influenced by host-mediated post-transduction mechanisms of vector transcription, hFVIII-SQ protein translation and secretion. Overall, these results demonstrate persistent episomal vector structures following AAV5-hFVIII-SQ administration and begin to elucidate potential mechanisms mediating interindividual variability.
Global nature run data with realistic high-resolution carbon weather for the year of the Paris Agreement
Authors: Agustí-Panareda Anna , McNorton Joe , Balsamo Gianpaolo , Baier Bianca C. , Bousserez Nicolas , Boussetta Souhail , Brunner Dominik , Chevallier Frédéric , Choulga Margarita , Diamantakis Michail , Engelen Richard , Flemming Johannes , Granier Claire , Guevara Marc , Denier van der Gon Hugo , Elguindi Nellie , Haussaire Jean-Matthieu , Jung Martin , Janssens-Maenhout Greet , Kivi Rigel , Massart Sébastien , Papale Dario , Parrington Mark , Razinger Miha , Sweeney Colm , Vermeulen Alex , Walther Sophia
Published: April 2022

The CO2 Human Emissions project has generated realistic high-resolution 9 km global simulations for atmospheric carbon tracers referred to as nature runs to foster carbon-cycle research applications with current and planned satellite missions, as well as the surge of in situ observations. Realistic atmospheric CO2, CH4 and CO fields can provide a reference for assessing the impact of proposed designs of new satellites and in situ networks and to study atmospheric variability of the tracers modulated by the weather. The simulations spanning 2015 are based on the Copernicus Atmosphere Monitoring Service forecasts at the European Centre for Medium Range Weather Forecasts, with improvements in various model components and input data such as anthropogenic emissions, in preparation of a CO2 Monitoring and Verification Support system. The relative contribution of different emissions and natural fluxes towards observed atmospheric variability is diagnosed by additional tagged tracers in the simulations. The evaluation of such high-resolution model simulations can be used to identify model deficiencies and guide further model improvements.
Design and fabrication of box-type passive solar dryer (BTPSD) with thermal insulation material for valorizing biomass and neutral lipids of marine Chlorella vulgaris for biodiesel application
Authors: Kalaiselvan N. , Mathimani Thangavel
Published: April 2022

The staggering rate of population growth has augmented the reliance on fossil fuel utilization, and it kindled the society to explore alternative and sustainable sources of energy. In this regard, biodiesel from microalgae came to the limelight; but crucial energy-consuming and expensive processes like cultivation, harvesting, and drying make the microalgal biodiesel unsustainable and economically unfeasible. To surpass these impediments, in this research work, a low-cost box-type passive solar dryer (BTPSD) is designed and fabricated with zero energy consumption mode and compared with conventional hot air oven for drying the biomass, neutral lipids of the marine microalga Chlorella vulgaris for biodiesel application. The onset of the work, BTPSD with 2 cm thickness of glass wool as TIM (thermal insulation material), 4 cm TIM thickness and no TIM was simulated for thermal storage behaviour using ANSYS FLUENT 19.2 Computational Fluid Dynamics tool and based on the results, 4 cm TIM thickness was chosen for experimentation. The time taken by BTPSD and hot air oven to remove the moisture from algal biomass is 3 and 2 h, respectively, whereas for neutral lipids drying, it was 4 and 3.5 h, respectively. Though there is a little difference in drying time, neutral lipid and FAME content from both drying systems are tantamount, i.e., ~ 12% neutral lipid and 95% FAME. Further, the percentage of vital fatty acids identified from BTPSD and hot air oven methods are almost similar, i.e., C16:0 (23.4%), C18:1 (14.3%), C18:3 (11.42%), C18:1 (9.22%). Though the time taken for valorizing biomass and neutral lipids of C. vulgaris by BTPSD is slightly longer than hot air oven, low energy consumption and cost-effectiveness make the BTPSD a promising system to scale down the microalgal biodiesel production cost significantly.
Low voltage environmentally friendly plasma electrolytic oxidation process for titanium alloys
Authors: Hou Fengyan , Gorthy Rukmini , Mardon Ian , Tang Da , Goode Chris
Published: April 2022

Plasma electrolytic oxidation (PEO) is a surface-treatment process extensively used to protect the surfaces of light metals such as Mg, Al, and Ti. Here, we report an environmentally friendly PEO process that uses nitrogen-containing electrolytes and low voltages (120 V) to form ~ 12 micron thick, uniform, adherent and porous oxide coatings on T1 titanium alloy surfaces. We evaluated the influence of nitrogenation by comparing the coatings to alloys treated in PEO baths without nitrogen-containing compounds. Both sets of samples exhibited basalt-like morphologies with distinct variation in the pore structures. The composition analyses showed that the coatings were primarily composites of titanium oxides and silicates. The T1 Ti alloys treated with nitrogen-containing electrolytes also contained TiC and TiN. This is the first ever report of producing TixOy, Ti–Si–O, TiC, and TiN composite coatings using a single PEO bath without carbide/nitride nanoparticles. The bandgaps of the coatings suggested visible light functionality. The use of nitrogen-based compounds in the PEO baths improved the hardness of the oxide layers but introduced stress-induced cracking which are potentially responsible for the reduction in corrosion resistance of the nitride and carbide containing coatings.
Dispositional gratitude, health-related factors, and lipid profiles in midlife: a biomarker study
Authors: Hartanto Andree , Majeed Nadyanna M. , Lua Verity Y. Q. , Wong Joax , Chen Nicole R. Y.
Published: April 2022

Dispositional gratitude has emerged in the literature to be associated with many health benefits in measures ranging from self-reported health to biomarkers of cardiovascular risk. However, little is known about the link between dispositional gratitude and lipid profiles. Drawing from the Gratitude and Self-improvement Model that grateful individuals are more likely to strive for actual self-improvement such as engaging in healthy lifestyles, we investigated the relation between dispositional gratitude and serum lipid levels. Participants consisted of 1800 adults from the National Survey of Midlife Development in the United States (MIDUS) 2: Biomarker Project (N = 1054) and MIDUS Refresher: Biomarker Project (N = 746). Serum lipid profiles were measured through fasting blood samples. After controlling for demographics, use of antihyperlipidemic mediation, and personality traits, we found that higher dispositional gratitude was associated with lower triglyceride levels. Results also revealed that healthy diets and lower BMI partially mediated the gratitude-triglyceride association. However, some variations in the analytic method may influence the associations between gratitude and triglycerides levels. Our findings provide preliminary evidence suggesting dispositional gratitude as a promising psychological factor that is associated with a healthier lipid profile.
Prevalence and characterisation of antimicrobial resistance genes and class 1 and 2 integrons in multiresistant Escherichia coli isolated from poultry production
Authors: Racewicz Przemysław , Majewski Michał , Biesiada Hanna , Nowaczewski Sebastian , Wilczyński Jarosław , Wystalska Danuta , Kubiak Magdalena , Pszczoła Marcin , Madeja Zofia E.
Published: April 2022

A global increase in the populations of drug resistant bacteria exerts negative effects on animal production and human health. Our study has been focused on the assessment of resistance determinants in relation to phenotypic resistance of the 74 commensal E. coli isolates present in different ecological environments. The samples were collected from poultry litter, feces, and neck skin. Among the microorganisms isolated from the poultry litter (group A), the highest resistance was noted against AMP and DOX (100%). In the E. coli extracts from the cloacal swabs (group B), the highest resistance was observed against AMP (100%) and CIP (92%). The meat samples (group C) were characterized by resistance to AMP (100%) and STX (94.7%). Genes encoding resistance to β-lactams (blaTEM, blaCTX-M), fluoroquinolones (qnrA, qnrB, qnrS), aminoglycosides (strA-strB, aphA1, aac(3)-II), sulfonamides (sul1, sul2, sul3), trimethoprim (dfr1, dfr5, dfr7/17) and tetracyclines (tetA, tetB) were detected in the studied bacterial isolates. The presence of class 1 and 2 integrons was confirmed in 75% of the MDR E. coli isolates (plasmid DNA), of which 60% contained class 1 integrons, 15% contained class 2 integrons, and 11.7% carried integrons of both classes. Thus, it may be concluded that integrons are the common mediators of antimicrobial resistance among commensal multidrug resistant Escherichia coli at important stages of poultry production.
Adenosine inhibits TNFα-induced MMP-3 production in MH7A rheumatoid arthritis synoviocytes via A2A receptor signaling
Authors: Konishi Hiroe , Kanou Shun-En , Yukimatsu Rika , Inui Mizuki , Sato Motoya , Yamamoto Naruto , Nakano Masayoshi , Koshiba Masahiro
Published: April 2022

Adenosine causes the anti-inflammatory effect of MTX; however, the contributions of synoviocyte adenosine receptors (AdoRs) are unknown, and matrix metalloproteinase 3 (MMP-3) is released by fibroblast-like synoviocytes in response to inflammatory signaling. To understand the mechanism of the clinical observation that the matrix proteinase-3 concentration of patients with rheumatoid arthritis treated successfully with methotrexate does not usually normalize, we investigated the effects of A2A AdoR activation and inhibition on tumor necrosis factor-alpha (TNFα)-induced MMP-3 release by MH7A human rheumatoid synovial cells. MH7A cells constitutively expressed membrane-associated A2A AdoRs, and HENECA enhanced intracellular cAMP. Stimulation with TNFα markedly enhanced release of MMP-3 from MH7A cells, whereas HENECA partially and dose-dependently inhibited TNFα-evoked MMP-3 release. Similarly, dbcAMP partially inhibited TNFα-induced MMP-3 release. Pretreatment with ZM241385 reversed the inhibitory effects of HENECA. Further, TNFα induced p38 MAPK and ATF-2 phosphorylation, whereas HENECA suppressed p38 MAPK and ATF-2 phosphorylation. We concluded that adenosine signaling via A2A AdoRs, adenylyl cyclase, and cAMP reduces TNFα-induced MMP-3 production by interfering with p38 MAPK/ATF-2 activity. Activation of A2A AdoR signaling alone using HENECA did not reduce TNFα-induced MMP-3 production to the basal levels, which may explain why MTX usually decreases but does not eliminate serum MMP-3.
Biological activities and phenolic compounds of olive oil mill wastewater from Abani, endemic Algerian variety
Authors: Gueboudji Zakia , Addad Dalila , Kadi Kenza , Nagaz Kamel , Secrafi Mansour , Yahya Leila Ben , Lachehib Belgacem , Abdelmalek Assia
Published: April 2022

The current study aimed to determination of cytotoxicity, antioxidant, anti-inflammatory, anti-hemolytic, and anticoagulant activities of phenolic compounds extracted from olive oil mill wastewater (OMW) issue from the cold extraction of olive oil from Khenchela eastern in Algeria. The LC–MS (liquid chromatography–mass spectrometry) results were revealed the presence of 20 phenolic compounds in the extract of OMW and mostly consisted of Kaempferol, 4,5-di-O-caffeoyquinic acid, quinic acid, and caffeic acid. The extracts possessed effective reducing power (FRAP) and high radical scavenging activity against DPPH (2,2-diphenyl-1-picrylhydrazyl), ABTS + (2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) free radicals, and it inhibited cytochrome c reduction in a dose-dependent manner. They exert a protective effect on red blood cells, and they were found to exhibit the highest inhibitory effect anti-inflammatory activity using inhibition of protein denaturation (IPD) and membrane stabilizing potential (MSP) tests (80.46 ± 3.81 µg/mL and 87.43 ± 0.66 µg/mL) more than the standard used. The extract also showed the greatest anticoagulant activity in both the endogenous and exogenous routes (44.77 ± 0.25 s and 15.84 ± 0.12 s, respectively). Based on these findings, it is reasonable to infer that OMW is a good source of natural phenolic compounds with potential antioxidant, anti-inflammatory, and anticoagulant properties.
Water quality assessment and evaluation of human health risk of drinking water from source to point of use at Thulamela municipality, Limpopo Province
Authors: Luvhimbi N. , Tshitangano T. G. , Mabunda J. T. , Olaniyi F. C. , Edokpayi J. N.
Published: April 2022

Water quality has been linked to health outcomes across the world. This study evaluated the physico-chemical and bacteriological quality of drinking water supplied by the municipality from source to the point of use at Thulamela municipality, Limpopo Province, South Africa; assessed the community practices regarding collection and storage of water and determined the human health risks associated with consumption of the water. Assessment of water quality was carried out on 114 samples. Questionnaires were used to determine the community’s practices of water transportation from source to the point-of-use and storage activities. Many of the households reported constant water supply interruptions and the majority (92.2%) do not treat their water before use. While E. coli and total coliform were not detected in the water samples at source (dam), most of the samples from the street taps and at the point of use (household storage containers) were found to be contaminated with high levels of E. coli and total coliform. The levels of E. coli and total coliform detected during the wet season were higher than the levels detected during the dry season. Trace metals’ levels in the drinking water samples were within permissible range of both the South African National Standards and World Health Organisation. The calculated non-carcinogenic effects using hazard quotient toxicity potential and cumulative hazard index of drinking water through ingestion and dermal pathways were less than unity, implying that consumption of the water could pose no significant non-carcinogenic health risk. Intermittent interruption in municipal water supply and certain water transportation and storage practices by community members increase the risk of water contamination. We recommend a more consistent supply of treated municipal water in Limpopo province and training of residents on hygienic practices of transportation and storage of drinking water from the source to the point of use.
Imaging the effect of high photoexcited densities on valley polarization and coherence in MoS2 monolayers
Authors: Cadiz F. , Gerl S. , Taniguchi T. , Watanabe K.
Published: April 2022

We have investigated the laser-induced valley polarization and coherence of encapsulated MoS2 monolayer as a function of temperature, power density, and spatial position. Besides a non-monotonic dependence on temperature, recently attributed to a dependence of the valley relaxation time on the momentum scattering rate, we observe a two-fold increase of the valley polarization when increasing the laser excitation power. We attribute this effect to a local heating induced by the energy relaxation of photoexcited excitons and to an increase of the exciton-exciton scattering rate. In contrast, only a moderate enhancement of valley coherence is observed, which exhibits a dramatic drop after further increasing the excitation power. We attribute this behaviour to the detrimental role of exciton-exciton interactions on the pure dephasing rate responsible for the loss of coherence between the valleys. This manifests itself by a strong dip in the spatial profile of the valley coherence at high photoexcited densities.
Non-coding RNA LEVER sequestration of PRC2 can mediate long range gene regulation
Authors: Teo Wei Wen , Cao Xinang , Wu Chan-Shuo , Tan Hong Kee , Zhou Qiling , Gao Chong , Vanuytsel Kim , Kumar Sara S. , Murphy George J. , Yang Henry , Chai Li , Tenen Daniel G.
Published: April 2022

Polycomb Repressive Complex 2 (PRC2) is an epigenetic regulator required for gene silencing during development. Although PRC2 is a well-established RNA-binding complex, the biological function of PRC2-RNA interaction has been controversial. Here, we study the gene-regulatory role of the inhibitory PRC2-RNA interactions. We report a nuclear long non-coding RNA,LEVER, which mapped 236 kb upstream of theβ-globincluster as confirmed by Nanopore sequencing.LEVERRNA interacts with PRC2 in its nascent form, and this prevents the accumulation of the H3K27 repressive histone marks withinLEVERlocus. Interestingly, the accessibleLEVERchromatin, in turn, suppresses the chromatin interactions between theε-globinlocus andβ-globinlocus control region (LCR), resulting in a repressive effect onε-globingene expression. Our findings validate that the nascent RNA-PRC2 interaction inhibits local PRC2 function in situ. More importantly, we demonstrate that such a local process can in turn regulate the expression of neighboring genes.
A selectivity filter mutation provides insights into gating regulation of a K+ channel
Authors: Friesacher Theres , Reddy Haritha P. , Bernsteiner Harald , Carlo Combista J. , Shalomov Boris , Bera Amal K. , Zangerl-Plessl Eva-Maria , Dascal Nathan , Stary-Weinzinger Anna
Published: April 2022

G-protein coupled inwardly rectifying potassium (GIRK) channels are key players in inhibitory neurotransmission in heart and brain. We conducted molecular dynamics simulations to investigate the effect of a selectivity filter (SF) mutation, G154S, on GIRK2 structure and function. We observe mutation-induced loss of selectivity, changes in ion occupancy and altered filter geometry. Unexpectedly, we reveal aberrant SF dynamics in the mutant to be correlated with motions in the binding site of the channel activator Gβγ. This coupling is corroborated by electrophysiological experiments, revealing that GIRK2wt activation by Gβγ reduces the affinity of Ba2+ block. We further present a functional characterization of the human GIRK2G154S mutant validating our computational findings. This study identifies an allosteric connection between the SF and a crucial activator binding site. This allosteric gating mechanism may also apply to other potassium channels that are modulated by accessory proteins.
Investigating and modeling the dynamics of long ties
Authors: Lyu Ding , Yuan Yuan , Wang Lin , Wang Xiaofan , Pentland Alex
Published: April 2022

Long ties, the social ties that bridge different communities, are widely believed to play crucial roles in spreading novel information in social networks. However, some existing network theories and prediction models indicate that long ties might dissolve quickly or eventually become redundant, thus putting into question the long-term value of long ties. Our empirical analysis of real-world dynamic networks shows that contrary to such reasoning, long ties are more likely to persist than other social ties, and that many of them constantly function as social bridges without being embedded in local networks. Using a cost-benefit analysis model combined with machine learning, we show that long ties are highly beneficial, which instinctively motivates people to expend extra effort to maintain them. This partly explains why long ties are more persistent than what has been suggested by many existing theories and models. Overall, our study suggests the need for social interventions that can promote the formation of long ties, such as mixing people with diverse backgrounds.
MOF-derived carbon-coated cuprous phosphide nanosheets for electrocatalytic glucose oxidation
Authors: Xue Jinhang , Sun Qiuhong , Li Qipeng , Qian Jinjie
Published: April 2022

A type of carbon-coated cuprous phosphide nanosheet embedded into a MOF-derived porous carbon network (Cu-BTC-CP) presents a competitive electrochemical sensor for practical glucose sensing.
Interfacial thermal transport of graphene/β-Ga2O3 heterojunctions: a molecular dynamics study with a self-consistent interatomic potential
Authors: Dong Shilin , Yang Bowen , Xin Qian , Lan Xin , Wang Xinyu , Xin Gongming
Published: April 2022

The interfacial thermal transport between graphene and β-Ga2O3 is systematically investigated using molecular dynamics simulation.
Analyses of pseudoexfoliation aqueous humor lipidome
Authors: Collao Vanessa , Morris Jada , Chauhan Muhammad Zain , Abdelrahman Leila , Martínez-de-la-Casa Jose María , Vidal-Villegas Beatriz , Burgos-Blasco Barbara , Bhattacharya Sanjoy K.
Published: April 2022

An overview schematic showing in five steps (1-5) samples, methods, analysis, and main findings. Samples (1) are from pseudoexfoliative material (PEXM), primary open angle glaucoma (POAG), pseudoexfoliation without glaucoma (PEX), pseudoexfoliation glaucoma (PEXG) and normal control.
A review on contemporary nanomaterial-based therapeutics for the treatment of diabetic foot ulcers (DFUs) with special reference to the Indian scenario
Authors: Sethuram Lakshimipriya , Thomas John , Mukherjee Amitava , Chandrasekaran Natarajan
Published: April 2022

Nanomaterial-based therapeutic treatment shows promising results in enhancing the anti-inflammatory, antimicrobial and angiogenic potential in diabetic rodents for effective wound healing process.
High performance and remarkable cyclic stability of a nanostructured RGO–CNT-WO3 supercapacitor electrode
Authors: Nasreen Farah , Anwar Abdul Waheed , Majeed Abdul , Ahmad Muhammad Ashfaq , Ilyas Usman , Ahmad Furqan
Published: April 2022

One of the most pressing concerns in today's power networks is ensuring that consumers (both home and industrial) have access to efficient and long-lasting economic energy.
Recent progress on synthetic and protein-based genetically encoded sensors for fluorimetric Cu(i) recognition: binding and reaction-based approaches
Authors: Kumar Sushil , Kaushal Jolly , Goswami Tapas , Kumar Pankaj , Kumar Pramod
Published: April 2022

The present study summarizes recent developments in synthetic molecules and genetically encoded proteins acting as fluorescent probes for Cu(i) imaging. Two approaches,i.e., binding and reaction based, are highlighted.
Development of highly sensitive optical nanoantenna for bacterial detection
Authors: Itagaki Satohiro , Tanabe So , Ikeda Hikaru , Shan Xueling , Nishii Shigeki , Yamamoto Yojiro , Sadanaga Yasuhiro , Chen Zhidong , Shiigi Hiroshi
Published: April 2022

Highly sensitive detection of bacteria by forming optical nanoantennas on cells.
Correction: Novel anilino quinazoline-based EGFR tyrosine kinase inhibitors for treatment of non-small cell lung cancer
Authors: Yang Lili , Liu Shanshan , Chu Jingjing , Miao Shuang , Wang Kai , Zhang Qingwei , Wang Yingyi , Xiao Yadi , Wu Lina , Liu Yang , Yu Longjian , Yu Caihong , Liu Xiang , Ke Mingxing , Cheng Zhen , Sun Xilin
Published: April 2022

Correction for ‘Novel anilino quinazoline-based EGFR tyrosine kinase inhibitors for treatment of non-small cell lung cancer’ by Lili Yang et al., Biomater. Sci., 2021, 9, 443–455. DOI: 10.1039/D0BM00293C.
Understanding p300-transcription factor interactions using sequence variation and hybridization
Authors: Hóbor Fruzsina , Hegedüs Zsófia , Ibarra Amaurys Avila , Petrovicz Vencel L. , Bartlett Gail J. , Sessions Richard B. , Wilson Andrew J. , Edwards Thomas A.
Published: April 2022

The interaction of p300 with HIF-1α is highly tolerant to sequence variations accompanied by enthalpy–entropy compensation and can be effectively inhibited by its negative regulator CITED2 with a sequence dependent competition mechanism.
Structure-based redesign of Fe(ii)/2-oxoglutarate-dependent oxygenase AndA to catalyze spiro-ring formation
Authors: Mori Takahiro , Nakashima Yu , Chen Heping , Hoshino Shotaro , Mitsuhashi Takaaki , Abe Ikuro
Published: April 2022

Structure-based engineering of an Fe(ii)/2-oxoglutarate-dependent oxygenase AndA altered the catalytic function of the enzyme to catalyze spiro-ring formation reaction from isomerization reaction.
A double-decker cage for allosteric encapsulation of ATP
Authors: Xie Han , Finnegan Tyler J. , Liyana Gunawardana Vageesha W. , Xie William , Moore Curtis E. , Badjić Jovica D.
Published: April 2022

In this work, we describe the preparation of double-decker cage [1-H6]6+comprising two binding pockets, each with three ammonium and three amide hydrogen bonding sites.
Sigma profiles in deep learning: towards a universal molecular descriptor
Authors: Abranches Dinis O. , Zhang Yong , Maginn Edward J. , Colón Yamil J.
Published: April 2022

Sigma profiles are shown to be universal molecular descriptors in the prediction of material properties using powerful deep learning methodologies.
Versatility in self-assembly and morphology of non-coded anthranilic acid and phenylglycine based dipeptide stereoisomers
Authors: Dolai Gobinda , Giri Rajat Subhra , Mandal Bhubaneswar
Published: April 2022

Molecular self-assembly and morphology of non-coded anthranilic acid andl/d-phenylglycine containing dipeptides have been investigated. Interestingly, significant morphological changes were observed just by reversing the peptide sequence.
Supramolecular aggregation in sterically encumbered monoarylphosphates and their H-bonded adducts: multigram synthesis of elusive 2,6-di-tert-butylphenyl phosphate
Authors: Prapakaran T. , Kuppuswamy S. , Murugavel Ramaswamy
Published: April 2022

A viable synthetic methodology has been developed for multigram synthesis of bulky 2,6-di-tert-butyphenyl phosphate; its supramolecular association behaviour and those of adducts formed with N-bases is established.
Metal oxide foams for pharmaceutical amorphization
Authors: Gröls Jan R. , Guaraldo Thais T. , Herdes Carmelo , Mattia Davide , Castro-Dominguez Bernardo
Published: April 2022

The properties of ZnO foams were leveraged to promote the amorphization of paracetamol.
Exoergic pathways triggered by O/H radicals in different metallic carbohydrazide perchlorates (M2+= Mn2+, Fe2+, Co2+, Ni2+, Zn2+and Cd2+)
Authors: He Xiaohui , Wu Panpan , Huang Xin , Dai Chaohua , Li Changshun , Cheng Longjiu , Zhang Tonglai , Zhang Jianguo , Wang Kun
Published: April 2022

The decompositions of the MCP family arise from nonspontaneous departures of CHZ groups to spontaneous detonations triggered by O/H radical transfer.
Signatures of collective modes in fifth harmonic generation of BCS superconductor
Authors: Derendorf Pascal , Müller Marvin A. , Eremin Ilya M.
Published: April 2022

The fifth harmonic generated current in the BCS superconductor with a double peak signature. The resonant contributions describe the coupling of collective excitations with 2 and 4 photons. The processes are shown diagrammatically as insets.
Preparation of highly crosslinked polyvinylpyrrolidone–polydivinylbenzene adsorbents based on reinitiation of suspended double bonds to achieve excellent blood compatibility and bilirubin removal
Authors: Kou Zuojin , Wang Chunhong
Published: April 2022

Excess bilirubin in the body will lead to a series of damage to tissues and organs. At present, hemoperfusion is used to remove excess bilirubin.
Synthesis, self-assembly and biolabeling of perylene diimide-tyrosine alkyl amide based amphiphiles: nanomolar detection of AOT surfactant
Authors: Sharma Poonam , Sharma Neha , Kaur Satwinderjeet , Singh Prabhpreet
Published: April 2022

Perylene diimide-tyrosine alkyl amide based amphiphiles were synthesized and characterized. PDI 3a showed ‘beehive’ nanostructure and applied for biolabeling of MG-63 live cells. PDI 3b can be used for NIR detection of anionic surfactant.
A highly productive mixotrophic fed-batch strategy for enhanced microalgal cultivation
Authors: Figueroa-Torres Gonzalo M. , Pittman Jon K. , Theodoropoulos Constantinos
Published: April 2022

A highly productive fed-batch cultivation strategy is presented, that consists of intermittent pulses of organic carbon that promotes mixotrophic microalgal growth whilst favouring starch and lipid formation.
Omics-based ecosurveillance for the assessment of ecosystem function, health, and resilience
Authors: Beale David J. , Jones Oliver A.H. , Bose Utpal , Broadbent James A. , Walsh Thomas K. , van de Kamp Jodie , Bissett Andrew
Published: April 2022

Current environmental monitoring efforts often focus on known, regulated contaminants ignoring the potential effects of unmeasured compounds and/or environmental factors. These specific, targeted approaches lack broader environmental information and understanding, hindering effective environmental management and policy. Switching to comprehensive, untargeted monitoring of contaminants, organism health, and environmental factors, such as nutrients, temperature, and pH, would provide more effective monitoring with a likely concomitant increase in environmental health. However, even this method would not capture subtle biochemical changes in organisms induced by chronic toxicant exposure. Ecosurveillance is the systematic collection, analysis, and interpretation of ecosystem health-related data that can address this knowledge gap and provide much-needed additional lines of evidence to environmental monitoring programs. Its use would therefore be of great benefit to environmental management and assessment. Unfortunately, the science of ‘ecosurveillance’, especially omics-based ecosurveillance is not well known. Here, we give an overview of this emerging area and show how it has been beneficially applied in a range of systems. We anticipate this review to be a starting point for further efforts to improve environmental monitoring via the integration of comprehensive chemical assessments and molecular biology-based approaches. Bringing multiple levels of omics technology-based assessment together into a systems-wide ecosurveillance approach will bring a greater understanding of the environment, particularly the microbial communities upon which we ultimately rely to remediate perturbed ecosystems.
DEMVSNet: Denoising and depth inference for unstructured multi‐view stereo on noised images
Authors: Han Jiawei , Chen Xiaomei , Zhang Yongtian , Hou Weimin , Hu Zibo
Published: April 2022

Most deep‐learning‐based multi‐view stereo series studies are concerned with improving the depth prediction accuracy of noise‐free images. However, it is difficult to obtain off‐the‐set clean images in practice and 3D convolutional neural networks require a lot of computing resources. To make full use of its computing power, different types of information can be processed simultaneously in the network. For these two issues, this paper proposes a novel multi‐stage network architecture to address depth inference and denoising simultaneously. Specifically, 2D feature maps are first converted into 3D cost volumes containing pixel information and depth information through differentiable homography and Gaussian probability mapping. Then, the cost volume is input into the regularisation module in each network stage to obtain the predicted probability volumes. Furthermore, simple static weights lead to training failure, and it is necessary to dynamically adjust the loss function by gradient normalisation. The proposed method can dispose of pixel information and depth information simultaneously and both reach an excellent level. Extensive experimental results show that the authors’ work surpasses the state‐of‐the‐art denoising on the DTU dataset (adding Gaussian–Poisson noise) and is more robust to noise images in depth inference.
Sectored LEACH (S‐LEACH): An enhanced LEACH for wireless sensor network
Authors: Mohammed Fadwa Abdul_Bari , Mekky Nagham , Suleiman Hassan Hussein , Hikal Noha Ahmed
Published: April 2022

Due to the importance and the need of wireless sensor networks in several applications, lots of research has been carried out. The utmost challenging issue is regarding the energy depletion of the network such that reducing the consumed energy leads to extending the network lifetime. The most popular routing algorithm for that purpose is LEACH. Regrettably, it has some limitations, and this work produces Sectored‐LEACH, which proposes solutions for these limitations. The main idea is about splitting the communication area into sectors to decrease the transmission distance, hence reducing the overall consumed energy. Results show a decrease in the total consumed energy, an increment in the network lifetime compared with the original LEACH and other four algorithms Q‐LEACH, I‐LEACH, RCH‐LEACH and ME‐LEACH. S‐LEACH has the best results regarding the comparison of performance metrics parameters.
Sub-surface stratification and dielectric permittivity distribution at the Chang’E-4 landing site revealed by the lunar penetrating radar
Authors: Chen Ruonan , Xu Yi , Xie Minggang , Zhang Ling , Niu Shengli , Bugiolacchi Roberto
Published: April 2022

Context.In 2019, China’s Chang’E-4 (CE-4) probe landed on the far side of the Moon: a first in lunar exploration. The Lunar Penetrating Radar (LPR) mounted on the Yutu-2 rover allows the mapping of the near-surface structure and the dielectric permittivity of the landing area. The dielectric properties of the lunar soil affect the propagation of the LPR signals, which can be used to infer the depth of sub-surface boundaries and derive the composition of the component materials.

Aims.Our objectives are to estimate the fine-resolution spatial distribution of relative permittivity and to improve the interpretation of the geological processes combined with the radargram of the CE-4 landing area.

Methods.We used a modified method that combines the F-K migration and the minimum entropy of the ground penetrating radar (GPR) signals to estimate the velocity and permittivity values; this has the advantage of obtaining the appropriate velocity and permittivity, even with the incomplete or unnoticeable hyperbolic curves in the radar image

Results.The sub-surface stratification of the CE-4 landing area is seen in the first 31 lunar days of the LPR data. A fine-resolution dielectric permittivity profile ranging from ~2.3 to ~6.3 is obtained with our method, and the actual depths of the observed prominent sub-surface interfaces are determined, giving a maximum average depth of ~38 m. The thickness of the regolith layer is in the range of ~5.7–15.6 m, with an average of 11.8 m. The permittivity of the near-surface regolith (<30 cm) is ~2.78 ± 0.01, the bulk density is 1.57 ± 0.01 g cm−3, which is close to the results of ~1.61 g cm−3at the Apollo 15 landing area. The permittivity map is consistent with the radargram; the regolith and the paleo-regolith layer have relatively low permittivity and low echo strengths, while the rock debris has high permittivity and shows strong echos in the radargram. Two buried craters of different diameters beneath the navigation sites 4–11 and 16–31 are revealed in the radar profile. The permittivity distribution map can show detailed variations of material properties both inside and outside craters.
Energy Sensitive Imaging of Focused and Scanning Ion Microbeams with µm Spatial and µs Time Resolution
Authors: Granja Carlos , Oancea Cristina , Mackova Anna , Havranek Vladimir , Olsansky Vaclav
Published: April 2022

We inspected and imaged the delivery of ion microbeams with spatial, time and energy sensitivity. Quantum imaging registration event- by-event is provided in high spatial and time resolution with the positionsensitive semiconductor pixel detector Timepix. The detector is operated as a miniaturized radiation camera for flexible measurements at room temperature and in vacuum. Imaging information on beam profile, spatial and time distribution, flux, homogeneity, and deposited energy for individual beam particles is provided. Focused and scanning beams can be imaged and evaluated online. Single particles are registered by the detector including spectral (deposited energy) information on their position at the µm and µs level. Delivered beams can be characterized also in terms of composition by resolving background and unwanted components such as electrons and X rays from primary beam particles. Ion groups of different energy including doublets or scattered particles can be identified. The technique is applicable for ions of energy above few hundred keV and beams of low intensity, below 105 particles/cm2/s.
One-step 3D microstructuring of PMMA using MeV light ions
Authors: Romanenko Oleksandr , Jagerova Adela , Borodkin Andrei , Havranek Vladimir , Mackova Anna
Published: April 2022

The conventional procedure for creating 3D microstructures in resists by ion beam lithography consists of two stages – exposure and developing. However, single stage of manufacturing 3D structures in resist is also possible. Irradiation of PMMA can cause it to shrink. This feature of the polymer can be used for one-step three-dimensional microstructuring, which simplifies the manufacturing process. The shrinkage of PMMA film on a substrate has been extensively studied, while research on free-standing film is not comprehensive. The use of free-standing PMMA film allows the creation of a flexible material with 3D microstructures, which can be used in medicine, optics, and electronics. The question here is whether the results obtained for the PMMA film on the substrate are applicable to the freestanding film. Since the nature of shrinking is outgassing of volatile products, the film on the substrate has only one surface for the release of gases, while in the free-standing film, gases can be released from the sample from both sides. Therefore, the shrinking in the free-standing film occurs on both sides. The aim of this work is to study the shrinkage of the free-standing film and compare it with that of the film of the same thickness coated on the substrate.
Elemental analysis of concrete via fast neutron transmission and scattering spectrometry
Authors: Hutton Tanya , Buffler Andy , Alexander Mark
Published: April 2022

We report on the development of neutron-based techniques to non-destructively measure the composition of concrete. Previous experimental studies demonstrated the viability of the unfolding technique to determine the ratio of water, sand and cement in well-characterised concrete samples from the transmitted neutron energy spectrum. In this work, we used MCNP6 simulations to demonstrate the extension of the technique to determine elemental compositions from transmitted, or scattered neutron energy spectra. In both cases, the simulated energy spectra provided a reliable method to unfold the composition of samples with known elemental ratios. The precision of the technique was limited by the statistical uncertainties of the simulated spectra, particularly for the case of scattered neutrons. The accuracy of the technique was heavily dependent on the uniqueness of each of the elemental responses, and reasonable prior knowledge of the composition. Given the promising results at this stage, future developments will include the addition of further elements to the response matrix, and experimental verification.