bluuebunny/crossref_metadata_2025 huggingface dataset:
Neocortical synaptic engrams for remote contextual memories
Authors: Lee Ji-Hye , Kim Woong Bin , Park Eui Ho , Cho Jun-Hyeong
Published: December 2022

While initial encoding of contextual memories involves the strengthening of hippocampal circuits, these memories progressively mature to stabilized forms in neocortex and become less hippocampus dependent. Although it has been proposed that long-term storage of contextual memories may involve enduring synaptic changes in neocortical circuits, synaptic substrates of remote contextual memories have been elusive. Here we demonstrate that the consolidation of remote contextual fear memories in mice correlated with progressive strengthening of excitatory connections between prefrontal cortical (PFC) engram neurons active during learning and reactivated during remote memory recall, whereas the extinction of remote memories weakened those synapses. This synapse-specific plasticity was CREB-dependent and required sustained hippocampal signals, which the retrosplenial cortex could convey to PFC. Moreover, PFC engram neurons were strongly connected to other PFC neurons recruited during remote memory recall. Our study suggests that progressive and synapse-specific strengthening of PFC circuits can contribute to long-term storage of contextual memories.
A novel feature for monitoring the enzymatic harvesting process of adherent cell cultures based on lens-free imaging
Authors: Deckers T. , Aerts J.-M. , Bloemen V.
Published: December 2022

Adherent cell cultures are often dissociated from their culture vessel (and each other) through enzymatic harvesting, where the detachment response is monitored by an operator. However, this approach is lacking standardisation and reproducibility, and prolonged exposure or too high concentrations can affect the cell’s viability and differentiation potential. Quantitative monitoring systems are required to characterise the cell detachment response and objectively determine the optimal time-point to inhibit the enzymatic reaction. State-of-the-art methodologies rely on bulky imaging systems and/or features (e.g. circularity) that lack robustness. In this study, lens-free imaging (LFI) technology was used to develop a novel cell detachment feature. Seven different donors were cultured and subsequently harvested with a (diluted) enzymatic harvesting solution after 3, 5 and 7 days of culture. Cell detachment was captured with the LFI set-up over a period of 20 min (every 20 s) and by optimising the reconstruction of the LFI intensity images, a new feature could be identified. Bright regions in the intensity image were identified as detaching cells and using image analysis, a method was developed to automatically extract this feature, defined as the percentage of detached cell regions. Next, the method was quantitatively and qualitatively validated on a diverse set of images. Average absolute error values of 1.49%, 1.34% and 1.97% were obtained for medium to high density and overconfluent cultures, respectively. The detachment response was quantified for all conditions and the optimal time for enzyme inhibition was reached when approximately 92.5% of the cells were detached. On average, inhibition times of 9.6–11.1 and 16.2–17.2 min were obtained for medium to high density and overconfluent cultures, respectively. In general, overconfluent cultures detached much slower, while their detachment rate was also decreased by the diluted harvesting solution. Moreover, several donors exhibited similar trends in cell detachment behaviour, with two clear outliers. Using the novel feature, measurements can be performed with an increased robustness, while the compact LFI design could pave the way for in situ monitoring in a variety of culture vessels, including bioreactors.
A network approach for low dimensional signatures from high throughput data
Authors: Curti Nico , Levi Giuseppe , Giampieri Enrico , Castellani Gastone , Remondini Daniel
Published: December 2022

One of the main objectives of high-throughput genomics studies is to obtain a low-dimensional set of observables—a signature—for sample classification purposes (diagnosis, prognosis, stratification). Biological data, such as gene or protein expression, are commonly characterized by an up/down regulation behavior, for which discriminant-based methods could perform with high accuracy and easy interpretability. To obtain the most out of these methods features selection is even more critical, but it is known to be a NP-hard problem, and thus most feature selection approaches focuses on one feature at the time (k-best, Sequential Feature Selection, recursive feature elimination). We propose DNetPRO, Discriminant Analysis with Network PROcessing, a supervised network-based signature identification method. This method implements a network-based heuristic to generate one or more signatures out of the best performing feature pairs. The algorithm is easily scalable, allowing efficient computing for high number of observables ($$10^3$$

10
3

–$$10^5$$

10
5

). We show applications on real high-throughput genomic datasets in which our method outperforms existing results, or is compatible with them but with a smaller number of selected features. Moreover, the geometrical simplicity of the resulting class-separation surfaces allows a clearer interpretation of the obtained signatures in comparison to nonlinear classification models.
Paleoenvironmental changes in river channel systems in alpine rockslide deposits exemplified by the Fernpass rockslide in the Tyrolian Außerfern District, Austria
Authors: Wolkersdorfer Christian
Published: December 2022

This paper describes the instability of river channel systems in alpine rockslide deposits using the Fernpass Rockslide and the river Loisach in the Tyrolian Außerfern District (Austria) as an example of paleoenvironmental developments. This is the first investigation of this kind of the Fernpass, one of the most important Alpine north–south transport connections since the bronze age. It uses geomorphological, sedimentological, onomastic and hydrogeological investigations to reconstruct the course of a late Holocene river in this area and a probabilistic simulation for dating. Tracer tests assisted in investigating the potential groundwater connections of the river systems. The findings show that the Palaeoloisach runs on the orographically right side in a marginal valley of the Fernpass furrow and changes to the orographically left side of the furrow within the Rauth suburb in the village of Biberwier. A probabilistic simulation of the Narrenbichl slip event, which changed the course of the Palaeoloisach, dates the event to an age of 664 ± 116 BC. This investigation is an important contribution to understanding Quaternary postrockslide developments, how groundwater contributes to forming postrockslide channel systems and archaeological findings occurring in populated areas.
Assessing and removing the effect of unwanted technical variations in microbiome data
Authors: Fachrul Muhamad , Méric Guillaume , Inouye Michael , Pamp Sünje Johanna , Salim Agus
Published: December 2022

Varying technologies and experimental approaches used in microbiome studies often lead to irreproducible results due to unwanted technical variations. Such variations, often unaccounted for and of unknown source, may interfere with true biological signals, resulting in misleading biological conclusions. In this work, we aim to characterize the major sources of technical variations in microbiome data and demonstrate how in-silico approaches can minimize their impact. We analyzed 184 pig faecal metagenomes encompassing 21 specific combinations of deliberately introduced factors of technical and biological variations. Using the novel Removing Unwanted Variations-III-Negative Binomial (RUV-III-NB), we identified several known experimental factors, specifically storage conditions and freeze–thaw cycles, as likely major sources of unwanted variation in metagenomes. We also observed that these unwanted technical variations do not affect taxa uniformly, with freezing samples affecting taxa of classBacteroidiathe most, for example. Additionally, we benchmarked the performances of different correction methods, including ComBat, ComBat-seq, RUVg, RUVs, and RUV-III-NB. While RUV-III-NB performed consistently robust across our sensitivity and specificity metrics, most other methods did not remove unwanted variations optimally. Our analyses suggest that a careful consideration of possible technical confounders is critical during experimental design of microbiome studies, and that the inclusion of technical replicates is necessary to efficiently remove unwanted variations computationally.
Ionic liquid-loaded triazine-based magnetic nanoparticles for promoting multicomponent reaction
Authors: Kafshdarzadeh Kosar , Malmir Masoume , Amiri Zahra , Heravi Majid M.
Published: December 2022

A novel hybrid magnetic ionic-liquid as a heterogeneous catalyst was synthesized by hybridization of imidazolium based-ionic liquid onto the nitrogen rich magnetic nanocomposite. The resulting catalyst (n-Fe3O4@SiO2-TA-SO3H IL) has two advantages besides recyclability: (i) high capacity of functional-SO3H group with imidazolium-IL cation for promoting symmetric and asymmetric Hantzsch reaction and (ii) easy recovery. Caused by the polymeric and magnetic nature of the n-Fe3O4@SiO2-TA-SO3H IL, large quantities of acidic groups were bound to the n-Fe3O4@SiO2-TA surface, which reduced the catalyst mass applied to the catalytic reaction. Moreover, superior catalytic performance and outstanding recyclability of n-Fe3O4@SiO2-TA-SO3H IL in mild condition make this method a green pathway for manufacture of satisfactory chemicals.
The role of discrimination in the relation between COVID-19 sequelae, psychological distress, and work impairment in COVID-19 survivors
Authors: Ishii Shinya , Sugiyama Aya , Ito Noriaki , Miwata Kei , Kitahara Yoshihiro , Okimoto Mafumi , Kurisu Akemi , Abe Kanon , Imada Hirohito , Akita Tomoyuki , Kubo Tatsuhiko , Nagasawa Akira , Nakanishi Toshio , Takafuta Toshiro , Kuwabara Masao , Tanaka Junko
Published: December 2022

Perceived discrimination and work impairment are commonly observed in COVID-19 survivors, but their relationship has not been well understood. We aimed to evaluate the role of discrimination in the development of psychological distress and work impairment in COVID-19 survivors. From April 2020 to November 2021, 309 patients were recruited at two designated COVID-19 hospitals in Japan. Participants completed a standardized questionnaire including COVID-19 sequelae, psychological distress, impairments in work performance and perceived discrimination. The majority of participants (62.5%) experienced one or more COVID-19 sequelae. Psychological distress was observed in 36.9% and work impairment in 37.9%. In multivariate logistic regression analyses, COVID-19 sequelae and discrimination were associated with both psychological distress and work impairment. Mediation analysis demonstrated that the direct effect of sequelae on work impairment was non-significant after accounting for psychological distress, suggesting that the effect of sequelae on work impairment was mainly mediated through psychological distress. These findings were replicated in a subgroup analysis limited to patients with mild COVID-19. We conclude that discrimination plays an important role in the development of psychological distress and work impairment, and that both discrimination and psychological distress should be targets of intervention in COVID-19 survivors.
In silico activity and ADMET profiling of phytochemicals from Ethiopian indigenous aloes using pharmacophore models
Authors: Bultum Lemessa Etana , Tolossa Gemechu Bekele , Kim Gwangmin , Kwon Ohhyeon , Lee Doheon
Published: December 2022

In silico profiling is used in identification of active compounds and guide rational use of traditional medicines. Previous studies on Ethiopian indigenous aloes focused on documentation of phytochemical compositions and traditional uses. In this study, ADMET and drug-likeness properties of phytochemicals from Ethiopian indigenous aloes were evaluated, and pharmacophore-based profiling was done using Discovery Studio to predict therapeutic targets. The targets were examined using KEGG pathway, gene ontology and network analysis. Using random-walk with restart algorithm, network propagation was performed in CODA network to find diseases associated with the targets. As a result, 82 human targets were predicted and found to be involved in several molecular functions and biological processes. The targets also were linked to various cancers and diseases of immune system, metabolism, neurological system, musculoskeletal system, digestive system, hematologic, infectious, mouth and dental, and congenital disorder of metabolism. 207 KEGG pathways were enriched with the targets, and the main pathways were metabolism of steroid hormone biosynthesis, lipid and atherosclerosis, chemical carcinogenesis, and pathways in cancer. In conclusion, in silico target fishing and network analysis revealed therapeutic activities of the phytochemicals, demonstrating that Ethiopian indigenous aloes exhibit polypharmacology effects on numerous genes and signaling pathways linked to many diseases.
Ocean acidification causes fundamental changes in the cellular metabolism of the Arctic copepod Calanus glacialis as detected by metabolomic analysis
Authors: Thor Peter , Vermandele Fanny , Bailey Allison , Guscelli Ella , Loubet-Sartrou Léa , Dupont Sam , Calosi Piero
Published: December 2022

Using a targeted metabolomic approach we investigated the effects of low seawater pH on energy metabolism in two late copepodite stages (CIV and CV) of the keystone Arctic copepod species Calanus glacialis. Exposure to decreasing seawater pH (from 8.0 to 7.0) caused increased ATP, ADP and NAD+ and decreased AMP concentrations in stage CIV, and increased ATP and phospho-L-arginine and decreased AMP concentrations in stage CV. Metabolic pathway enrichment analysis showed enrichment of the TCA cycle and a range of amino acid metabolic pathways in both stages. Concentrations of lactate, malate, fumarate and alpha-ketoglutarate (all involved in the TCA cycle) increased in stage CIV, whereas only alpha-ketoglutarate increased in stage CV. Based on the pattern of concentration changes in glucose, pyruvate, TCA cycle metabolites, and free amino acids, we hypothesise that ocean acidification will lead to a shift in energy production from carbohydrate metabolism in the glycolysis toward amino acid metabolism in the TCA cycle and oxidative phosphorylation in stage CIV. In stage CV, concentrations of most of the analysed free fatty acids increased, suggesting in particular that ocean acidification increases the metabolism of stored wax esters in this stage. Moreover, aminoacyl-tRNA biosynthesis was enriched in both stages indicating increased enzyme production to handle low pH stress.
Insights into the deglacial variability of phytoplankton community structure in the eastern equatorial Pacific Ocean using [231Pa/230Th]xs and opal-carbonate fluxes
Authors: Schimmenti Danielle , Marcantonio Franco , Hayes Christopher T. , Hertzberg Jennifer , Schmidt Matthew , Sarao John
Published: December 2022

Fully and accurately reconstructing changes in oceanic productivity and carbon export and their controls is critical to determining the efficiency of the biological pump and its role in the global carbon cycle through time, particularly in modern CO2 source regions like the eastern equatorial Pacific (EEP). Here we present new high-resolution records of sedimentary 230Th-normalized opal and nannofossil carbonate fluxes and [231Pa/230Th]xs ratios from site MV1014-02-17JC in the Panama Basin. We find that, across the last deglaciation, phytoplankton community structure is driven by changing patterns of nutrient (nitrate, iron, and silica) availability which, in turn, are caused by variability in the position of the Intertropical Convergence Zone (ITCZ) and associated changes in biogeochemical cycling and circulation in the Southern Ocean. Our multi-proxy work suggests greater scrutiny is required in the interpretation of common geochemical proxies of productivity and carbon export in the EEP.
Colonocyte keratin 7 is expressed de novo in inflammatory bowel diseases and associated with pathological changes and drug-resistance
Authors: Polari Lauri , Tenhami Mervi , Anttila Santeri , Helenius Terhi , Kujari Harry , Kallajoki Markku , Voutilainen Markku , Toivola Diana M.
Published: December 2022

The clinical course of IBD, characterized by relapses and remissions, is difficult to predict. Initial diagnosis can be challenging, and novel disease markers are needed. Keratin 7 (K7) is a cytoskeletal intermediate filament protein not expressed in the colonic epithelium but has been reported in IBD-associated colorectal tumors. Our aim was to analyze whether K7 is expressed in chronic colonic inflammatory diseases and evaluate its potential as a novel biomarker. K7 was analyzed in two patient cohorts using immunohistochemistry-stained colon samples and single-cell quantitative digital pathology methods. K7 was correlated to pathological changes and clinical patient characteristics. Our data shows that K7 is expressed de novo in the colonic epithelium of ulcerative colitis and Crohn’s disease IBD patients, but not in collagenous or lymphocytic colitis. K7 mRNA expression was significantly increased in colons of IBD patients compared to controls when assessed in publicly available datasets. While K7 increased in areas with inflammatory activity, it was not expressed in specific crypt compartments and did not correlate with neutrophils or stool calprotectin. K7 was increased in areas proximal to pathological alterations and was most pronounced in drug-resistant ulcerative colitis. In conclusion, colonic epithelial K7 is neo-expressed selectively in IBD patients and could be investigated for its potential as a disease biomarker.
Galápagos tortoise stable isotope ecology and the 1850s Floreana Island Chelonoidis niger niger extinction
Authors: Conrad Cyler , Barceló Laura Pagès , Scheinberg Lauren , Campbell Patrick D. , Wynn Addison , Gibbs James P. , Aguilera Washington Tapia , Cayot Linda , Bruner Kale , Pastron Allen G. , Jones Emily Lena
Published: December 2022

A consequence of over 400 years of human exploitation of Galápagos tortoises (Chelonoidis niger ssp.) is the extinction of several subspecies and the decimation of others. As humans captured, killed, and/or removed tortoises for food, oil, museums, and zoos, they also colonized the archipelago resulting in the introduction of invasive plants, animals, and manipulated landscapes for farming, ranching, and infrastructure. Given current conservation and revitalization efforts for tortoises and their habitats, here we investigate nineteenth and twentieth century Galápagos tortoise dietary ecology using museum and archaeological specimens coupled with analysis of carbon (δ13Ccollagen and δ13Capatite), nitrogen (δ15N), hydrogen (δD) and oxygen (δ18Oapatite) stable isotopes and radiocarbon dating. We identify that Galápagos tortoise diets vary between and within islands over time, and that long-term anthropogenic impacts influenced change in tortoise stable isotope ecology by using 57 individual tortoises from 10 different subspecies collected between 1833 and 1967—a 134-year period. On lower elevation islands, which are often hotter and drier, tortoises tend to consume more C4 vegetation (cacti and grasses). Our research suggests human exploitation of tortoises and anthropogenic impacts on vegetation contributed to the extinction of the Floreana Island tortoise (C. n. niger) in the 1850s.
Inducing high exo selectivity in Diels–Alder reaction by dimethylborane substituent: a DFT study
Authors: Taherinia Davood , Fattahi Alireza
Published: December 2022

In this work, the role of Lewis acid–base (LAB) interaction on the stereoselectivity of the Diels–Alder (DA) reaction has been studied by DFT in gas and solution (dichloromethane) phases. The calculations were performed at the B3LYP/6-311G++ (d, p) level. Two different series of DA reactions were investigated: (1)—three mono-substituted cyclopentadienes + dimethyl(vinyl)borane; (2)—five α,β-unsaturated carbonyl compounds + cyclopenta-2,4-dien-1-yldimethylborane. The reacting diene and dienophile pairs were chosen to restrict LAB interaction to the exo reaction pathway. It was found that in some of the examined cases, the favorable LAB interaction is so strong that it can lead to a completely exo-selective DA reaction. Furthermore, a novel multistep synthetic method was hypothesized for preparing exo cycloadduct with near 100% stereoselectivity. Our results can open up new avenues toward the rational design of exo-selective DA reactions for synthesizing novel bioorganic compounds.
Automated detection of GFAP-labeled astrocytes in micrographs using YOLOv5
Authors: Huang Yewen , Kruyer Anna , Syed Sarah , Kayasandik Cihan Bilge , Papadakis Manos , Labate Demetrio
Published: December 2022

Astrocytes, a subtype of glial cells with a complex morphological structure, are active players in many aspects of the physiology of the central nervous system (CNS). However, due to their highly involved interaction with other cells in the CNS, made possible by their morphological complexity, the precise mechanisms regulating astrocyte function within the CNS are still poorly understood. This knowledge gap is also due to the current limitations of existing quantitative image analysis tools that are unable to detect and analyze images of astrocyte with sufficient accuracy and efficiency. To address this need, we introduce a new deep learning framework for the automated detection of GFAP-immunolabeled astrocytes in brightfield or fluorescent micrographs. A major novelty of our approach is the applications of YOLOv5, a sophisticated deep learning platform designed for object detection, that we customized to derive optimized classification models for the task of astrocyte detection. Extensive numerical experiments using multiple image datasets show that our method performs very competitively against both conventional and state-of-the-art methods, including the case of images where astrocytes are very dense. In the spirit of reproducible research, our numerical code and annotated data are released open source and freely available to the scientific community.
Pulsed laser-assisted additive manufacturing of Ti-6Al-4V for in-situ grain refinement
Authors: Yoon Hansol , Liu Peipei , Park Yejun , Choi Gwanghyo , Choi Pyuck-Pa , Sohn Hoon
Published: December 2022

Metal additive manufacturing (AM) enables rapid customization of complex parts. However, it leads to forming of columnar grain structures which give the AM parts anisotropic properties. In this study, we propose a pulsed laser-assisted AM (PLAAM) technique for in-situ grain refinement of Ti-6Al-4V parts. A nanosecond pulsed laser was focused onto a melt pool to generate a favorable environment for the promotion of fine equiaxed grains. The PLAAM technique provided an average prior-β grain size of 549.6 μm, compared to that of 1297 μm provided by the conventional AM technique. Moreover, the maximum value of multiples of uniform distribution of the β phase decreased from 16 to 7.7 when using the PLAAM technique, which indicates a weakened crystallographic texture. These changes confirm that the proposed PLAAM technique promotes finer and more equiaxed prior-β grains. Furthermore, because the proposed technique is a non-contact technique, it can be applied to existing processes without adjusting tool paths.
Mechanical characteristics and stability analysis of surrounding rock reinforcement in rectangular roadway
Authors: Gu Shuan-Cheng , Wang Pan , Yang Chao-Fan
Published: December 2022

The stability of surrounding rock with bolt support depends on the stability within the reinforcement range. To understand the reinforcing mechanism of a rectangular roadway bolt fully and accurately, a quantitative method for evaluating the stability of the surrounding rock of a rectangular roadway must be developed. First, a roof beam model of a rectangular tunnel is established according to the deformation law of surrounding rock. Based on the elastic–plastic theory, the deflection calculation formula can be derived, and the ultimate load of the roof beam can be obtained under the plastic state without support. Second, based on the reinforcement effect of bolts, a model of a surrounding rock reinforcement body is established, the physical and mechanical properties of this body are deduced, and a method for evaluating the stability of surrounding rock is derived. Finally, by considering actual engineering cases, the theoretical calculation results of surrounding rock deformation are compared with the numerical simulation and field monitoring results. Moreover, the influence of different parameters of the bolt support on the mechanical characteristics and stability of reinforcement is investigated. The results show that the theoretical calculations approximate the numerical simulation and field monitoring values, thus verifying the rationality of the theory. The physical and mechanical properties and stability of the surrounding rock reinforcement body are considerably affected by changes in bolt length and spacing. The anchor design must apply the following principle: the bolt must either be long and sparsely spaced or short and densely spaced. The theory presented in this paper provides a relatively simple and fast quantitative calculation method for the study of the surrounding rock stability of bolt-supported rectangular roadways.
Variations in home range and core area of red-backed voles (Myodes regulus) in response to various ecological factors
Authors: Lee Jae-Kang , Eom Tae-Kyung , Lee Dong-Ho , Ko Hyeongyu , Rhim Shin-Jae
Published: December 2022

The characteristics of animal distribution are determined by interactions between the resource requirements of animals and ecological factors. This study sought to evaluate the effects of diverse ecological factors on the home range and core area of red-backed voles (Myodes regulus) in a natural deciduous forest located on Mt. Gariwang, Pyeongchang and Jeongseon, South Korea. Our study focused on four types of ecological factors: topography, climate, cover, and demography. A total of 29 voles were radio-tracked from August to September 2021. Home range (95% utilization distribution; UD) and core area (50% UD) were calculated using the kernel density estimator (KDE). The home range (1659.49 m2) and core area (317.08 m2) were negatively affected by altitude. The lunar phase and temperature negatively and positively influenced the home range and core area, respectively. The home range was positively affected by understory vegetation, whereas the core area was not. The core area increased within microhabitats with a high density of conspecific individuals, with males having a larger home range (2006.19 m2) and core area (375.40 m2) than females (1043.13 m2 and 213.39 m2, respectively). These findings provide a deeper understanding of the diverse ecological factors affecting the distributions of animals, especially small rodents.
Theoretical prediction of two-dimensional BC2X (X = N, P, As) monolayers: ab initio investigations
Authors: Bafekry A. , Naseri M. , Faraji M. , Fadlallah M. M. , Hoat D. M. , Jappor H. R. , Ghergherehchi M. , Gogova D. , Afarideh H.
Published: December 2022

In this work, novel two-dimensional BC$$_2$$

2

X (X = N, P, As) monolayers with X atoms out of the B–C plane, are predicted by means of the density functional theory. The structural, electronic, optical, photocatalytic and thermoelectric properties of the BC$$_2$$

2

X monolayers have been investigated. Stability evaluation of the BC$$_2$$

2

X single-layers is carried out by phonon dispersion, ab-initio molecular dynamics (AIMD) simulation, elastic stability, and cohesive energies study. The mechanical properties reveal all monolayers considered are stable and have brittle nature. The band structure calculations using the HSE06 functional reveal that the BC$$_2$$

2

N, BC$$_2$$

2

P and BC$$_2$$

2

As are semiconducting monolayers with indirect bandgaps of 2.68 eV, 1.77 eV and 1.21 eV, respectively. The absorption spectra demonstrate large absorption coefficients of the BC$$_2$$

2

X monolayers in the ultraviolet range of electromagnetic spectrum. Furthermore, we disclose the BC$$_2$$

2

N and BC$$_2$$

2

P monolayers are potentially good candidates for photocatalytic water splitting. The electrical conductivity of BC$$_2$$

2

X is very small and slightly increases by raising the temperature. Electron doping may yield greater electric productivity of the studied monolayers than hole doping, as indicated by the larger power factor in the n-doped region compared to the p-type region. These results suggest that BC$$_2$$

2

X (X = N, P, As) monolayers represent a new promising class of 2DMs for electronic, optical and energy conversion systems.
A molecular barcode and web-based data analysis tool to identify imported Plasmodium vivax malaria
Authors: Trimarsanto Hidayat , Amato Roberto , Pearson Richard D. , Sutanto Edwin , Noviyanti Rintis , Trianty Leily , Marfurt Jutta , Pava Zuleima , Echeverry Diego F. , Lopera-Mesa Tatiana M. , Montenegro Lidia M. , Tobón-Castaño Alberto , Grigg Matthew J. , Barber Bridget , William Timothy , Anstey Nicholas M. , Getachew Sisay , Petros Beyene , Aseffa Abraham , Assefa Ashenafi , Rahim Awab G. , Chau Nguyen H. , Hien Tran T. , Alam Mohammad S. , Khan Wasif A. , Ley Benedikt , Thriemer Kamala , Wangchuck Sonam , Hamedi Yaghoob , Adam Ishag , Liu Yaobao , Gao Qi , Sriprawat Kanlaya , Ferreira Marcelo U. , Laman Moses , Barry Alyssa , Mueller Ivo , Lacerda Marcus V. G. , Llanos-Cuentas Alejandro , Krudsood Srivicha , Lon Chanthap , Mohammed Rezika , Yilma Daniel , Pereira Dhelio B. , Espino Fe E. J. , Chu Cindy S. , Vélez Iván D. , Namaik-larp Chayadol , Villegas Maria F. , Green Justin A. , Koh Gavin , Rayner Julian C. , Drury Eleanor , Gonçalves Sónia , Simpson Victoria , Miotto Olivo , Miles Alistair , White Nicholas J. , Nosten Francois , Kwiatkowski Dominic P. , Price Ric N. , Auburn Sarah
Published: December 2022

Traditionally, patient travel history has been used to distinguish imported from autochthonous malaria cases, but the dormant liver stages of Plasmodium vivax confound this approach. Molecular tools offer an alternative method to identify, and map imported cases. Using machine learning approaches incorporating hierarchical fixation index and decision tree analyses applied to 799 P. vivax genomes from 21 countries, we identified 33-SNP, 50-SNP and 55-SNP barcodes (GEO33, GEO50 and GEO55), with high capacity to predict the infection’s country of origin. The Matthews correlation coefficient (MCC) for an existing, commonly applied 38-SNP barcode (BR38) exceeded 0.80 in 62% countries. The GEO panels outperformed BR38, with median MCCs > 0.80 in 90% countries at GEO33, and 95% at GEO50 and GEO55. An online, open-access, likelihood-based classifier framework was established to support data analysis (vivaxGEN-geo). The SNP selection and classifier methods can be readily amended for other use cases to support malaria control programs.
Challenges and strategies toward long-term stability of lead-free tin-based perovskite solar cells
Authors: Aktas Ece , Rajamanickam Nagalingam , Pascual Jorge , Hu Shuaifeng , Aldamasy Mahmoud H. , Di Girolamo Diego , Li Wenhui , Nasti Giuseppe , Martínez-Ferrero Eugenia , Wakamiya Atsushi , Palomares Emilio , Abate Antonio
Published: December 2022

Due to their outstanding optoelectronic properties, lead-based halide perovskite materials have been applied as efficient photoactive materials in solution-processed solar cells. Current record efficiencies offer the promise to surpass those of silicon solar cells. However, uncertainty about the potential toxicity of lead-based halide perovskite materials and their facile dissolution in water requires a search for new alternative perovskite-like materials. Thanks to the foresight of scientists and their experience in lead-based halide perovskite preparation, remarkable results have been obtained in a short period of time using lead-free perovskite compositions. However, the lower solar-to-energy conversion efficiency and long-term stability issues are serious drawbacks that hinder the potential progression of these materials. Here, we review and analyse strategies in the literature and the most promising solutions to identify the factors that limit the power conversion efficiency and long-term stability of lead-free tin-based perovskite solar cells. In the light of the current state-of-the-art, we offer perspectives for further developing these promising materials.
Sulfur fertiliser use in the Midwestern US increases as atmospheric sulfur deposition declines with improved air quality
Authors: Hinckley Eve-Lyn S. , Driscoll Charles T.
Published: December 2022

Sulfur, as an essential nutrient for plant growth, has increasingly been used in fertiliser applications for many crops. This increase is coincident with declines in atmospheric sulfur deposition in response to air quality improvements in the United States and Europe. Here, we evaluate trends in sulfur fertiliser sales by mass, as a proxy for fertiliser applications, and estimate total atmospheric sulfur deposition across the Midwestern United States. Crop acreage, yield and sulfur fertiliser application substantially increased between 1985 and 2015, coincident with declines in atmospheric sulfur deposition. The increase in sulfur fertiliser has outpaced the relative rate of change in other major nutrient fertilisers including nitrogen, phosphorus and potassium, by approximately 7-fold prior to 2009, and 29-fold after 2009. We suggest that there is a critical need to develop sulfur management tools that optimize fertiliser applications to maintain crop yields while minimizing the consequences of excess sulfur in the environment.
Investigating healthcare worker mobility and patient contacts within a UK hospital during the COVID-19 pandemic
Authors: Wilson-Aggarwal Jared K. , Gotts Nick , Wong Wai Keong , Liddington Chris , Knight Simon , Spyer Moira J. , Houlihan Catherine F. , Nastouli Eleni , Manley Ed
Published: December 2022

Background

Insights into behaviours relevant to the transmission of infections are extremely valuable for epidemiological investigations. Healthcare worker (HCW) mobility and patient contacts within the hospital can contribute to nosocomial outbreaks, yet data on these behaviours are often limited.

Methods

Using electronic medical records and door access logs from a London teaching hospital during the COVID-19 pandemic, we derive indicators for HCW mobility and patient contacts at an aggregate level. We assess the spatial-temporal variations in HCW behaviour and, to demonstrate the utility of these behavioural markers, investigate changes in the indirect connectivity of patients (resulting from shared contacts with HCWs) and spatial connectivity of floors (owing to the movements of HCWs).

Results

Fluctuations in HCW mobility and patient contacts were identified during the pandemic, with the most prominent changes in behaviour on floors handling the majority of COVID-19 patients. The connectivity between floors was disrupted by the pandemic and, while this stabilised after the first wave, the interconnectivity of COVID-19 and non-COVID-19 wards always featured. Daily rates of indirect contact between patients provided evidence for reactive staff cohorting in response to the number of COVID-19 patients in the hospital.

Conclusions

Routinely collected electronic records in the healthcare environment provide a means to rapidly assess and investigate behaviour change in the HCW population, and can support evidence based infection prevention and control activities. Integrating frameworks like ours into routine practice will empower decision makers and improve pandemic preparedness by providing tools to help curtail nosocomial outbreaks of communicable diseases.
Enzyme-linked immunosorbent assay using thin-layered microfluidics with perfect capture of the target protein
Authors: Smirnova Adelina , Ohta Ryoichi , Mori Emi , Shimizu Hisashi , Morikawa Kyojiro , Kitamori Takehiko
Published: December 2022

We developed a process for enzyme-linked immunosorbent assay on a glass microchip via the use of a thin-layered microfluidic channel.
Rapid quantification of goat milk adulteration with cow milk using Raman spectroscopy and chemometrics
Authors: Li Wangfang , Huang Wei , Fan Desheng , Gao Xuhui , Zhang Xian , Meng Yaoyong , Liu Timon Cheng-yi
Published: December 2022

A model constructed by Raman spectroscopy and chemometrics for the rapid and non-destructive determination of goat milk adulteration with cow milk.
Histidine-based coordinative polymers for efficient intracellular protein delivery via enhanced protein binding, cellular uptake, and endosomal escape
Authors: Chen Changyuan , Gao Peng , Wang Hui , Cheng Yiyun , Lv Jia
Published: December 2022

Histidine-based coordinative polymers overcome multiple barriers, and achieve efficient cytosolic protein delivery.
3,3′-Diselenodipropionic acid immobilised gelatin gel: a biomimic catalytic nitric oxide generating material for topical wound healing application
Authors: Das Ram P. , Singh Beena G. , Aishwarya J. , Kumbhare Liladhar B. , Kunwar Amit
Published: December 2022

Covalent conjugation of gelatin with an organodiselenide followed by temperature dependant gelation fabricated G–Se–Se–G gel which facilitated efficient wound healing through NO generation by glutathione peroxidase-like catalytic activity.
The quest for unligated oxaphosphiranes with phosphorus in different coordination numbers
Authors: Faßbender Jan , Volk Niklas , García Alcaraz Antonio , Balasubramaniam Selvakumar , Espinosa Ferao Arturo , Streubel Rainer
Published: December 2022

The first oxaphosphirane I has been synthesized. Reactions with borane (II) and oxidizing reagents (II, III) are reported, together with theoretical studies providing insight into ring strain energy, oxidation pathways and ring isomerization.
Total exfoliation of graphite in molten salts
Authors: Lavi Adi , Pyrikov Michael , Ohayon-Lavi Avia , Tadmor Rafael , Shachar-Michaely Gal , Leibovitch Yelena , Ruse Efrat , Vradman Leonid , Regev Oren
Published: December 2022

Total exfoliation of graphite to graphene nanoplatelets in molten salts is demonstrated. The wetting properties of various alkali chloride salts have a major effect on the exfoliation efficiency of graphite.
How do salt and lipids affect conformational dynamics of Aβ42 monomers in water?
Authors: Andrews Brian , Ruggiero Thomas , Urbanc Brigita
Published: December 2022

The Aβ42-lipid interface area increases with the lipid concentration.
Understanding formation thermodynamics of structurally diverse zeolite oligomers with first principles calculations
Authors: Hong Sungil , Mallette Adam J. , Neeway James J. , Motkuri Radha Kishan , Rimer Jeffrey D. , Mpourmpakis Giannis
Published: December 2022

Formation Thermodynamics of zeolite oligomers.
Gd3+-substituted BiFeO3 perovskite nanoparticles: facile synthesis, characterization, and applications in heterogeneous catalysis
Authors: Subhashini N. , Revathi S. , Ubaidullah Mohd , Al-Enizi Abdullah M. , Muthulakshmi S. , Thiripurasundari D. , Shaikh Shoyebmohamad F. , Nafady Ayman , Moydeen Abdulhameed Meera , Alanzi Nouf B. , Alkhalifah Rayana Ibrahim , Dash Chandra Sekhar , Sundararajan M. , Sukumar M.
Published: December 2022

Nano-Perovskite materials of Gd-doped BiFeO3 catalyzed the oxidation of glycerol into formic acid in the liquid phase under atmospheric conditions.
Cp* non-innocence and the implications of (η4-Cp*H)Rh intermediates in the hydrogenation of CO2, NAD+, amino-borane, and the Cp* framework – a computational study
Authors: Pal Shrinwantu
Published: December 2022

In hydrogenation mediated by half-sandwich complexes of Rh, Cp*Rh(iii)–H intermediates are critical hydride-delivery agents.
An integrated study on the comprehensive mechanism of Schisandra chinensis polysaccharides mitigating Alzheimer's disease in rats using a UPLC-Q-TOF-MS based serum and urine metabolomics strategy
Authors: Fu Jun , Li Jixun , Sun Yuzhen , Liu Shu , Song Fengrui , Liu Zhongying
Published: December 2022

Therapeutic effects and potential mechanism of action of homogeneous polysaccharide SCP2 on AD rats.
Health associations of liver enzymes and inflammatory scores with urinary citrus flavonoid metabolites
Authors: Bullón-Vela Vanessa , Xu Yifan , Razquin Cristina , Abete Itziar , Zulet Maria Angeles , Martínez-González Miguel A. , Buil-Corsiales Pilar , Vitelli-Storelli Facundo , Martín Sánchez Vicente , Vazquez-Ruíz Zenaida , Sayón-Orea Carmen , Domínguez-Fernández Maite , Cid Concepción , Estruch Ramon , Lamuela-Raventós Rosa María , Fitó Montserrat , Blanchart Gemma , Babio Nancy , Salas-Salvadó Jordi , Tinahones Francisco J. , Tur Josep A. , Romaguera Dora , Konieczna Jadwiga , Pintó Xavier , Daimiel Lidia , Rodriguez-Mateos Ana , Martínez José Alfredo
Published: December 2022

Higher urinary excretion of citrus fruit-derived flavanones was associated with reduced levels of GGT in subjects with MetS and obesity.
Rapid screening of novel tyrosinase inhibitory peptides from a pearl shell meat hydrolysate by molecular docking and the anti-melanin mechanism
Authors: Huang Pantian , Miao Jianyin , Liao Wanwen , Huang Congshu , Chen Bingbing , Li Yingkun , Wang Xianghua , Yu Yan , Liang Xingtang , Zhao Haishan , Cao Yong
Published: December 2022

The tyrosinase inhibitory peptides screened from pearl shell meat hydrolysate can effectively inhibit tyrosinase activity and reduce melanin content.
Study of the mechanism of embolism removal in xylem vessels by using microfluidic devices
Authors: Guo Lihua , Liu Yuanchang , Liu Li , Yin Penghe , Liu Chong , Li Jingmin
Published: December 2022

A biomimetic microfluidic device used to study the mechanism of perforation plates in the acceleration of embolism repair, which can help for screening drought-resistant plants and can help to solve bubble formation problems in engineering.
Comparison of the efficacy of seven types of microneedles for treating a rabbit hypertrophic scar model
Authors: Liu Fang , Luo Yingzhi , Chen Huan , Xu Shengjing , Zhang Dongyan , Sang Hong , Xu Chenjie , Zhang Min
Published: December 2022

Microneedle technology can effectively suppress the formation of hypertrophic scarring in both animals and humans.
Facile synthesis of defect-rich RuCu nanoflowers for efficient hydrogen evolution reaction in alkaline media
Authors: Ji Liang , Luo Sai , Li Lei , Qian Ningkang , Li Xiao , Li Junjie , Huang Jingbo , Wu Xingqiao , Zhang Hui , Yang Deren
Published: December 2022

RuCu NFs was synthesized by a facile solvothermal method, showing outstanding HER activity with the low overpotential of 55 mV at 10 mA cm−2.
Semi-coke-based amorphous porous carbon synthesized by a molten salt assisted method for superior lithium storage
Authors: Gu Yahong , Tang Yakun , Liu Lang , Zhang Yue , Gao Yang , Zhang Yang , Yang Chensong , Liu Ting
Published: December 2022

Amorphous porous carbon with a network structure composed of nanosheets was prepared from semi-coke by a facile molten salt method.
Improved photocatalytic and sterilization performance of Cu doped sea urchin-like WO3−x
Authors: Qi Xingrui , Zhao Zhidong , Li Nian , He Zijian , Chen Yufang , Jin Tao
Published: December 2022

WO3−x doped Cu enhances the reactive oxygen generation capacity for efficient solar photocatalytic sterilization.
Emulsifier-modulated covalent organic frameworks for photocatalytic degradation of organic dyes
Authors: Li Xiaoqin , Chen Xueqin , Li Cao , Xu Ziqiang , Jiang Bingbing
Published: December 2022

A new attempt to industrially produce covalent organic frameworks and enhance their photocatalytic performance.
A fluorescent sensor based on the cascade signal amplification strategy for ultra-sensitive detection of Cu2+
Authors: Huang Ruijia , Xu Ying , Du Jihui , Guan Qiong , Cai Xiaoqing , Li Feng , Wang Jidong , Chen Wenwen
Published: December 2022

We proposed a novel strategy for enhancing the performance of a Cu+-catalyzed click-chemistry-based copper sensor and validated its biological application in WD diagnosis and AST.
SO2-based thermoplastic polyurethane elastomer: synthesis, microstructure, and mechanical properties
Authors: Jin Xian-Chao , Yue Tian-Jun , Ren Bai-Hao , Ren Wei-Min , Lu Xiao-Bing
Published: December 2022

A novel thermoplastic polyurethane elastomer is constructed from SO2-derived polysulfite. Systemic investigations, including the synthetic methodology, characterization, modification of structures, were conducted to obtain optimized polyurethane.
The selective blocking of potentially catalytically active sites on surface-supported iron oxide catalysts
Authors: Liu Dairong , Li Linfei , Gedara Buddhika S. A. , Trenary Michael , Jiang Nan
Published: December 2022

Selective growth of Pd and Pt on the edges of Au(111) supported FeO islands was observed. The complicated interfaces formed in selective growth raise a platform for the research of edge involved catalytic reactions.
Investigation of thermodynamics, and structural, dynamical, and electrical properties of polyoxometalate ionic liquid confined into carbon nanotubes during the melting process using molecular dynamics simulation
Authors: Khalilzadeh Zahra , Abbaspour Mohsen , Zonoz Farrokhzad Mohammadi
Published: December 2022

Molecular dynamics simulation of polyoxometallate IL confined into CNTs with different configurations. The peaks ofCVshow the melting range. The ion conductivity also shows a sharp increase in the melting range.
Suppression of intrinsic thermal conductivity in Sr1−xGdxTiO3 ceramics via phonon-point defect scattering for enhanced thermoelectric application
Authors: Sundari R. Shanmuka , Harish S. , Vijay V. , Shimomura M. , Ponnusamy S. , Archana J. , Navaneethan M.
Published: December 2022

A substantial reduction in the thermal conductivity for strontium titanate (ABO3) perovskite structure was realized for the A-site substitution of gadolinium (rare earth element) in the SrTiO3 ceramics.
The multifunctional Prussian blue/graphitic carbon nitride nanocomposites for fluorescence imaging-guided photothermal and photodynamic combination therapy
Authors: Wang Xinxu , Wang Chenghan , Xu Yichen , Li Yuxin , Li Haotian , Fan Bingjun , Yang Fan , Li Liping
Published: December 2022

Multifunctional PBCN nanocomposites were fabricated via electrostatic interaction between Prussian blue nanoparticles and graphitic carbon nitride to realize fluorescence imaging-guided photothermal therapy (PTT) and photodynamic therapy (PDT).
Induced abundant oxygen vacancies in Sc2VO5−δ/g-C3N4 heterojunctions for enhanced photocatalytic degradation of levofloxacin
Authors: Feng Jian , Zu Liyao , Yang Hongrong , Zheng Yuanyuan , Chen Ziying , Song Wei , Zhao Ran , Wang Li , Ran Xia , Xiao Bo
Published: December 2022

Sc2VO5−δ/g-C3N4 heterojunctions (SVCs) with abundant oxygen vacancies (OVs) were synthesized by ultrasonic exfoliation combined with the thermal etching method.
Introducing RSC Sustainability
Authors: Welton Tom
Published: December 2022

Editor-in-Chief, Tom Welton, introduces the first issue of RSC Sustainability.
Why does water in porous carbon generate electricity? Electrokinetic role of protons in a water droplet-induced hydrovoltaic system of hydrophilic porous carbon
Authors: Ko Hyunseok , Son Wonkyeong , Kang Min Sung , Lee Han Uk , Chung Chan-Yeup , Han Seungwu , Choi Changsoon , Cho Sung Beom
Published: December 2022

The comprehensive multiphysics theoretical model on hydrovoltaics shows that the asymmetric protonation gradient and electrokinetic dynamics are the key factors for the mysterious electricity generation of porous carbons.
Enhanced thermoelectric performance of p-type Mg2Sn single crystals via multi-scale defect engineering
Authors: Huang Zhicheng , Hayashi Kei , Saito Wataru , Pei Jun , Li Jing-Feng , Miyazaki Yuzuru
Published: December 2022

Multi-scale defects in Li-doped Mg2Sn single crystals effectively reduce thermal conductivity. The highest dimensionless figure-of-merit zT among p-type Mg2Sn is achieved (zT ∼ 0.38 at 700 K).