bluuebunny/crossref_metadata_2025 huggingface dataset:
Aseismic slip and recent ruptures of persistent asperities along the Alaska-Aleutian subduction zone
Authors: Zhao Bin , Bürgmann Roland , Wang Dongzhen , Zhang Jian , Yu Jiansheng , Li Qi
Published: June 2022

The frictional properties and slip behaviors of subduction thrusts play a key role in seismic and tsunami hazard assessment, especially in weakly coupled “seismic gaps”. Here, we rely on GPS observations in the Shumagin Gap of the Aleutian subduction zone to derive the slip distribution of the 2020 Mw 7.8 Simeonof Island, Alaska earthquake and of the subsequent afterslip during the first 87-day period. Our modeling results show that the mainshock ruptured at depths of ∼30–40 km beneath Simeonof Island. Kinematic and stress-driven models indicate that the afterslip occurred both updip and downdip of the mainshock rupture. Physically plausible locking models derived from interseismic GPS velocities suggest that the 2020 Simeonof and 2021 Mw 8.2 Chignik earthquakes ruptured persistent asperities on the subduction thrust. We infer that there are several additional persistent asperities at depths of 20–50 km west ∼157°W. However, it is still uncertain whether there are additional locked asperities at shallow depths because of the current lack of geodetic observations close to the trench.
Duration of mRNA vaccine protection against SARS-CoV-2 Omicron BA.1 and BA.2 subvariants in Qatar
Authors: Chemaitelly Hiam , Ayoub Houssein H. , AlMukdad Sawsan , Coyle Peter , Tang Patrick , Yassine Hadi M. , Al-Khatib Hebah A. , Smatti Maria K. , Hasan Mohammad R. , Al-Kanaani Zaina , Al-Kuwari Einas , Jeremijenko Andrew , Kaleeckal Anvar Hassan , Latif Ali Nizar , Shaik Riyazuddin Mohammad , Abdul-Rahim Hanan F. , Nasrallah Gheyath K. , Al-Kuwari Mohamed Ghaith , Butt Adeel A. , Al-Romaihi Hamad Eid , Al-Thani Mohamed H. , Al-Khal Abdullatif , Bertollini Roberto , Abu-Raddad Laith J.
Published: June 2022

SARS-CoV-2 Omicron BA.1 and BA.2 subvariants are genetically divergent. We conducted a matched, test-negative, case-control study to estimate duration of protection of the second and third/booster doses of mRNA COVID-19 vaccines against BA.1 and BA.2 infections in Qatar. BNT162b2 effectiveness was highest at 46.6% (95% CI: 33.4–57.2%) against symptomatic BA.1 and at 51.7% (95% CI: 43.2–58.9%) against symptomatic BA.2 infections in the first three months after the second dose, but declined to ~10% or below thereafter. Effectiveness rebounded to 59.9% (95% CI: 51.2–67.0%) and 43.7% (95% CI: 36.5–50.0%), respectively, in the first month after the booster dose, before declining again. Effectiveness against COVID-19 hospitalization and death was 70–80% after the second dose and >90% after the booster dose. mRNA-1273 vaccine protection showed similar patterns. mRNA vaccines provide comparable, moderate, and short-lived protection against symptomatic BA.1 and BA.2 Omicron infections, but strong and durable protection against COVID-19 hospitalization and death.
Quantitative detection of α-Synuclein and Tau oligomers and other aggregates by digital single particle counting
Authors: Blömeke Lara , Pils Marlene , Kraemer-Schulien Victoria , Dybala Alexandra , Schaffrath Anja , Kulawik Andreas , Rehn Fabian , Cousin Anneliese , Nischwitz Volker , Willbold Johannes , Zack Rebecca , Tropea Thomas F. , Bujnicki Tuyen , Tamgüney Gültekin , Weintraub Daniel , Irwin David , Grossman Murray , Wolk David A. , Trojanowski John Q. , Bannach Oliver , Chen-Plotkin Alice , Willbold Dieter
Published: June 2022

The pathological hallmark of neurodegenerative diseases is the formation of toxic oligomers by proteins such as alpha-synuclein (aSyn) or microtubule-associated protein tau (Tau). Consequently, such oligomers are promising biomarker candidates for diagnostics as well as drug development. However, measuring oligomers and other aggregates in human biofluids is still challenging as extreme sensitivity and specificity are required. We previously developed surface-based fluorescence intensity distribution analysis (sFIDA) featuring single-particle sensitivity and absolute specificity for aggregates. In this work, we measured aSyn and Tau aggregate concentrations of 237 cerebrospinal fluid (CSF) samples from five cohorts: Parkinson’s disease (PD), dementia with Lewy bodies (DLB), Alzheimer’s disease (AD), progressive supranuclear palsy (PSP), and a neurologically-normal control group. aSyn aggregate concentration discriminates PD and DLB patients from normal controls (sensitivity 73%, specificity 65%, area under the receiver operating curve (AUC) 0.68). Tau aggregates were significantly elevated in PSP patients compared to all other groups (sensitivity 87%, specificity 70%, AUC 0.76). Further, we found a tight correlation between aSyn and Tau aggregate titers among all patient cohorts (Pearson coefficient of correlation r = 0.81). Our results demonstrate that aSyn and Tau aggregate concentrations measured by sFIDA differentiate neurodegenerative disease diagnostic groups. Moreover, sFIDA-based Tau aggregate measurements might be particularly useful in distinguishing PSP from other parkinsonisms. Finally, our findings suggest that sFIDA can improve pre-clinical and clinical studies by identifying those individuals that will most likely respond to compounds designed to eliminate specific oligomers or to prevent their formation.
Validation of the PD home diary for assessment of motor fluctuations in advanced Parkinson’s disease
Authors: Löhle Matthias , Bremer Alexander , Gandor Florin , Timpka Jonathan , Odin Per , Ebersbach Georg , Storch Alexander
Published: June 2022

The Parkinson’s disease (PD) home diary is frequently used in clinical trials to measure efficacy of medical treatments for motor fluctuations in advanced PD. This prospective study in fluctuating PD patients examines the validity of the diary for quantification of motor states in comparison to direct clinical observation. 51 patients (median age: 65 years, disease duration: 11 years) completed the diary half-hourly for two consecutive days and were simultaneously rated by an experienced observer, who independently evaluated motor states half-hourly throughout daytime. Overall agreement (Cohen’s kappa) between patient and observer diary entries was 59.8% (0.387). Patients documented more On without dyskinesia (52.3% vs. 38.9%, P < 0.001) and less On with dyskinesia (21.5% vs. 34.2%, P < 0.001), whereas proportions for Off intervals were not different between patient and observer diaries (26.2% vs. 27.0%, P = 0.97). Temporal agreement between diary ratings was unsatisfactory, particularly for On with dyskinesia. Taken together, our study suggests that the PD home diary only inadequately reflects actual motor states compared to direct clinical observation.
TR12 centers in diamond as a room temperature atomic scale vector magnetometer
Authors: Foglszinger Jonas , Denisenko Andrej , Kornher Thomas , Schreck Matthias , Knolle Wolfgang , Yavkin Boris , Kolesov Roman , Wrachtrup Jörg
Published: June 2022

The family of room temperature atomic scale magnetometers is currently limited to nitrogen-vacancy centers in diamond. However, nitrogen-vacancy centers are insensitive to strong off-axis magnetic fields. In this work, we show that the well-known TR12 radiative defect in diamond, exhibits strong optically detected magnetic resonance (ODMR) signal under optical saturation. We also demonstrate that the spin system responsible for the magnetic resonance is an excited triplet state that can be coherently controlled at room temperature on a single defect level. The high optically detected magnetic resonance contrast, which is maintained even for strong off-axis magnetic fields, suggests that TR12 centers can be used for vector magnetometry even at high field.
METALIC reveals interorganelle lipid flux in live cells by enzymatic mass tagging
Authors: John Peter Arun T. , Petrungaro Carmelina , Peter Matthias , Kornmann Benoît
Published: June 2022

The distinct activities of organelles depend on the proper function of their membranes. Coordinated membrane biogenesis of different organelles necessitates lipid transport from their site of synthesis to their destination. Several factors have been proposed to participate in lipid distribution, but despite its basic importance, in vivo evidence linking the absence of putative transport pathways to specific transport defects remains scarce. A reason for this scarcity is the near absence of in vivo lipid trafficking assays. Here we introduce a versatile method named METALIC (Mass tagging-Enabled TrAcking of Lipids In Cells) to track interorganelle lipid flux inside cells. In this strategy, two enzymes, one directed to a ‘donor’ and the other to an ‘acceptor’ organelle, add two distinct mass tags to lipids. Mass-spectrometry-based detection of lipids bearing the two mass tags is then used to quantify exchange between the two organelles. By applying this approach, we show that the ERMES and Vps13–Mcp1 complexes have transport activity in vivo, and unravel their relative contributions to endoplasmic reticulum–mitochondria lipid exchange.
Genetic correlates of phenotypic heterogeneity in autism
Authors: Warrier Varun , Zhang Xinhe , Reed Patrick , Havdahl Alexandra , Moore Tyler M. , Cliquet Freddy , Leblond Claire S. , Rolland Thomas , Rosengren Anders ,   EU-AIMS LEAP, Caceres Antonia San Jose , Hayward Hannah , Crawley Daisy , Faulkner Jessica , Sabet Jessica , Ellis Claire , Oakley Bethany , Loth Eva , Charman Tony , Murphy Declan , Holt Rosemary , Waldman Jack , Upadhyay Jessica , Gunby Nicola , Lai Meng-Chuan , Renouf Gwilym , Ruigrok Amber , Taylor Emily , Ziauddeen Hisham , Deakin Julia , di Bruttopilo Sara Ambrosino , van Dijk Sarai , Rijks Yvonne , Koops Tabitha , Douma Miriam , Spaan Alyssia , Selten Iris , Steffers Maarten , van Themaat Anna Ver Loren , Bast Nico , Baumeister Sarah , O’Dwyer Larry , Bours Carsten , Rausch Annika , von Rhein Daniel , Cornelissen Ineke , de Bruin Yvette , Graauwmans Maartje , Kostrzewa Elzbieta , Cauvet Elodie , Tammimies Kristiina , Sitnikow Rouslan , Dumas Guillaume , Kim Yang-Min , Bourgeron Thomas ,   iPSYCH-Autism Working Group, Hougaard David M. , Bybjerg-Grauholm Jonas , Werge Thomas , Mortensen Preben Bo , Mors Ole , Nordentoft Merete ,   Spectrum 10K and APEX Consortia, Adhya Dwaipayan , Alamanza Armandina , Allison Carrie , Garvey Isabelle , Parsons Tracey , Smith Paula , Tsompanidis Alex , Burton Graham J. , Heazell Alexander E. P. , Gabis Lidia V. , Biron-Shental Tal , Lancaster Madeline A. , Srivastava Deepak P. , Mill Jonathan , Rowitch David H. , Hurles Matthew E. , Geschwind Daniel H. , Børglum Anders D. , Robinson Elise B. , Grove Jakob , Martin Hilary C. , Bourgeron Thomas , Baron-Cohen Simon
Published: June 2022

The substantial phenotypic heterogeneity in autism limits our understanding of its genetic etiology. To address this gap, here we investigated genetic differences between autistic individuals (nmax = 12,893) based on core and associated features of autism, co-occurring developmental disabilities and sex. We conducted a comprehensive factor analysis of core autism features in autistic individuals and identified six factors. Common genetic variants were associated with the core factors, but de novo variants were not. We found that higher autism polygenic scores (PGS) were associated with lower likelihood of co-occurring developmental disabilities in autistic individuals. Furthermore, in autistic individuals without co-occurring intellectual disability (ID), autism PGS are overinherited by autistic females compared to males. Finally, we observed higher SNP heritability for autistic males and for autistic individuals without ID. Deeper phenotypic characterization will be critical in determining how the complex underlying genetics shape cognition, behavior and co-occurring conditions in autism.
Transferability of genetic risk scores in African populations
Authors: Kamiza Abram B. , Toure Sounkou M. , Vujkovic Marijana , Machipisa Tafadzwa , Soremekun Opeyemi S. , Kintu Christopher , Corpas Manuel , Pirie Fraser , Young Elizabeth , Gill Dipender , Sandhu Manjinder S. , Kaleebu Pontiano , Nyirenda Moffat , Motala Ayesha A. , Chikowore Tinashe , Fatumo Segun
Published: June 2022

The poor transferability of genetic risk scores (GRSs) derived from European ancestry data in diverse populations is a cause of concern. We set out to evaluate whether GRSs derived from data of African American individuals and multiancestry data perform better in sub-Saharan Africa (SSA) compared to European ancestry-derived scores. Using summary statistics from the Million Veteran Program (MVP), we showed that GRSs derived from data of African American individuals enhance polygenic prediction of lipid traits in SSA compared to European and multiancestry scores. However, our GRS prediction varied greatly within SSA between the South African Zulu (low-density lipoprotein cholesterol (LDL-C), R2 = 8.14%) and Ugandan cohorts (LDL-C, R2 = 0.026%). We postulate that differences in the genetic and environmental factors between these population groups might lead to the poor transferability of GRSs within SSA. More effort is required to optimize polygenic prediction in Africa.
Dental macrowear reveals ecological diversity of Gorilla spp.
Authors: Harty Teagan , Berthaume Michael A. , Bortolini Eugenio , Evans Alistair R. , Galbany Jordi , Guy Franck , Kullmer Ottmar , Lazzari Vincent , Romero Alejandro , Fiorenza Luca
Published: June 2022

Size and shape variation of molar crowns in primates plays an important role in understanding how species adapted to their environment. Gorillas are commonly considered to be folivorous primates because they possess sharp cusped molars which are adapted to process fibrous leafy foods. However, the proportion of fruit in their diet can vary significantly depending on their habitats. While tooth morphology can tell us what a tooth is capable of processing, tooth wear can help us to understand how teeth have been used during mastication. The objective of this study is to explore if differences in diet at the subspecies level can be detected by the analysis of molar macrowear. We analysed a large sample of second lower molars of Grauer’s, mountain and western lowland gorilla by combining the Occlusal Fingerprint Analysis method with other dental measurements. We found that Grauer’s and western lowland gorillas are characterised by a macrowear pattern indicating a larger intake of fruit in their diet, while mountain gorilla’s macrowear is associated with the consumption of more folivorous foods. We also found that the consumption of herbaceous foods is generally associated with an increase in dentine and enamel wear, confirming the results of previous studies.
A computational model of stem cells’ decision-making mechanism to maintain tissue homeostasis and organization in the presence of stochasticity
Authors: Khorasani Najme , Sadeghi Mehdi
Published: June 2022

The maintenance of multi-cellular developed tissue depends on the proper cell production rate to replace the cells destroyed by the programmed process of cell death. The stem cell is the main source of producing cells in a developed normal tissue. It makes the stem cell the lead role in the scene of a fully formed developed tissue to fulfill its proper functionality. By focusing on the impact of stochasticity, here, we propose a computational model to reveal the internal mechanism of a stem cell, which generates the right proportion of different types of specialized cells, distribute them into their right position, and in the presence of intercellular reactions, maintain the organized structure in a homeostatic state. The result demonstrates that the spatial pattern could be harassed by the population geometries. Besides, it clearly shows that our model with progenitor cells able to recover the stem cell presence could retrieve the initial pattern appropriately in the case of injury. One of the fascinating outcomes of this project is demonstrating the contradictory roles of stochasticity. It breaks the proper boundaries of the initial spatial pattern in the population. While, on the flip side of the coin, it is the exact factor that provides the demanded non-genetic diversity in the tissue. The remarkable characteristic of the introduced model as the stem cells’ internal mechanism is that it could control the overall behavior of the population without need for any external factors.
Measurement of circulating CD21−CD27− B lymphocytes in SLE patients is associated with disease activity independently of conventional serological biomarkers
Authors: Horisberger Alice , Humbel Morgane , Fluder Natalia , Bellanger Florence , Fenwick Craig , Ribi Camillo , Comte Denis
Published: June 2022

Determining disease activity in systemic lupus erythematosus (SLE) patients is challenging and limited by the lack of reliable biomarkers. Abnormally activated B cells play a key role in the pathogenesis of SLE, but their measure in clinical practice is currently not recommended. Here, we studied peripheral B cells to identify a valid biomarker. We analyzed peripheral B cells in a discovery cohort of 30 SLE patients compared to 30 healthy controls (HC) using mass cytometry and unsupervised clustering analysis. The relevant B cell populations were subsequently studied by flow cytometry in a validation cohort of 63 SLE patients, 28 autoimmune diseases controls and 39 HC. Our data show an increased frequency of B cell populations with activated phenotype in SLE compared to healthy and autoimmune diseases controls. These cells uniformly lacked the expression of CD21 and CD27. Measurement of CD21−CD27− B cells in the blood identified patients with active disease and their frequency correlated with disease severity. Interestingly, we did not observe an increase in the frequency of CD21−CD27− B cells in patients with clinically inactive disease but with elevated conventional biomarkers (anti-dsDNA and complement levels). Accordingly, measurement of CD21−CD27− B cells represents a robust and easily accessible biomarker to assess the activity of the disease in SLE patients.
Complex effects on CaV2.1 channel gating caused by a CACNA1A variant associated with a severe neurodevelopmental disorder
Authors: Grosso Benjamin J. , Kramer Audra A. , Tyagi Sidharth , Bennett Daniel F. , Tifft Cynthia J. , D’Souza Precilla , Wangler Michael F. , Macnamara Ellen F. , Meza Ulises , Bannister Roger A.
Published: June 2022

P/Q-type Ca2+ currents mediated by CaV2.1 channels are essential for active neurotransmitter release at neuromuscular junctions and many central synapses. Mutations in CACNA1A, the gene encoding the principal CaV2.1 α1A subunit, cause a broad spectrum of neurological disorders. Typically, gain-of-function (GOF) mutations are associated with migraine and epilepsy while loss-of-function (LOF) mutations are causative for episodic and congenital ataxias. However, a cluster of severe CaV2.1 channelopathies have overlapping presentations which suggests that channel dysfunction in these disorders cannot always be defined bimodally as GOF or LOF. In particular, the R1667P mutation causes focal seizures, generalized hypotonia, dysarthria, congenital ataxia and, in one case, cerebral edema leading ultimately to death. Here, we demonstrate that the R1667P mutation causes both channel GOF (hyperpolarizing voltage-dependence of activation, slowed deactivation) and LOF (slowed activation kinetics) when expressed heterologously in tsA-201 cells. We also observed a substantial reduction in Ca2+ current density in this heterologous system. These changes in channel gating and availability/expression manifested in diminished Ca2+ flux during action potential-like stimuli. However, the integrated Ca2+ fluxes were no different when normalized to tail current amplitude measured upon repolarization from the reversal potential. In summary, our findings indicate a complex functional effect of R1667P and support the idea that pathological missense mutations in CaV2.1 may not represent exclusively GOF or LOF.
Similarity matrix-based anomaly detection for clinical intervention
Authors: D’Mello Ryan , Melcher Jennifer , Torous John
Published: June 2022

The use of digital phenotyping methods in clinical care has allowed for improved investigation of spatiotemporal behaviors of patients. Moreover, detecting abnormalities in mobile sensor data patterns can be instrumental in identifying potential changes in symptomology. We propose a method that temporally aligns sensor data in order to achieve interpretable measures of similarity between time points. These computed measures can then be used for anomaly detection, baseline routine computation, and trajectory clustering. In addition, we apply this method on a study of 695 college participants, as well as on a patient with worsening anxiety and depression. With varying temporal constraints, we find mild correlations between changes in routine and clinical scores. Furthermore, in our experiment on an individual with elevated depression and anxiety, we are able to cluster GPS trajectories, allowing for improved understanding and visualization of routines with respect to symptomology. In the future, we aim to apply this method on individuals that undergo data collection for longer periods of time, thus allowing for a better understanding of long-term routines and signals for clinical intervention.
A comparative study of unpasteurized and pasteurized frozen whole hen eggs using size-exclusion chromatography and small-angle X-ray scattering
Authors: Oka Yoshiki , Yukawa Hiroko , Kudo Hisashi , Ooka Koji , Wada Manami , Suetaka Shunji , Chang Mari , Kawai Hidenobu , Tanaka Ryouji , Ichikawa Masahiro , Suzuki Takahisa , Hayashi Yuuki , Handa Akihiro , Arai Munehito
Published: June 2022

Hen eggs are rich in proteins and are an important source of protein for humans. Pasteurized frozen whole hen eggs are widely used in cooking and confectionery and can be stored for long periods. However, processed eggs differ from raw eggs in properties such as viscosity, foaming ability, and thermal aggregation. To develop pasteurized frozen whole egg products with properties similar to those of unpasteurized whole eggs, it is necessary to establish a method that can differentiate between the two egg types with respect to the structures of their proteins. In this study, size-exclusion chromatography (SEC) and SEC coupled with small-angle X-ray scattering (SEC-SAXS) were successfully used to differentiate between the proteins in unpasteurized and pasteurized frozen whole eggs. We found that proteins in the plasma fraction of egg yolk, especially apovitellenins I and II, formed large aggregates in the pasteurized eggs, indicating that their structures are sensitive to temperature changes during pasteurization, freezing, and thawing. The results suggest that SEC and SEC-SAXS can be used to differentiate between unpasteurized and pasteurized frozen whole eggs. Additionally, they may be useful in determining molecular sizes and shapes of multiple components in various complex biological systems such as whole eggs.
Combined use of conventional and clumped carbonate stable isotopes to identify hydrothermal isotopic alteration in cave walls
Authors: Temovski Marjan , Rinyu László , Futó István , Molnár Kata , Túri Marianna , Demény Attila , Otoničar Bojan , Dublyansky Yuri , Audra Philippe , Polyak Victor , Asmerom Yemane , Palcsu László
Published: June 2022

Alteration of conventional carbonate stable isotopes (δ18O, δ13C) in cave walls has been shown to be a useful tool to identify cave formation driven by deep-seated processes, i.e., hypogene karstification. If combined with a prior information on the paleowater stable isotope composition, further insights can be obtained on the temperature and the source of the paleowater. Clumped isotope composition (Δ47) of carbonates is an independent measurement of temperature, and if combined with the conventional stable isotopes, can provide information on the paleowater stable isotope composition. On the example of Provalata Cave (N. Macedonia), we apply for the first time, both conventional and clumped stable isotope analysis, and identify two different isotope alteration trends, reflecting two distinct hydrothermal events: an older, hotter one, where isotope alteration was likely related to isotope diffusion, lowering the δ18O values of the carbonate; and a younger one, related to the cave formation by low-temperature CO2-rich thermal waters, with dissolution-reprecipitation as the alteration mechanism, causing decrease in δ18O values, and unexpected increase in δ13C values. The findings are further corroborated by additional insight from optical petrography and cathodoluminescence microscopy, as well as fluid inclusion analysis of secondary calcite crystals related to the cave forming phase.
Effect of simultaneous testing of two mice in the tail suspension test and forced swim test
Authors: Ueno Hiroshi , Takahashi Yu , Murakami Shinji , Wani Kenta , Matsumoto Yosuke , Okamoto Motoi , Ishihara Takeshi
Published: June 2022

In mouse studies, the results of behavioural experiments are greatly affected by differences in the experimental environment and handling methods. The Porsolt forced swim test and tail suspension test are widely used to evaluate predictive models of depression-like behaviour in mice. It has not been clarified how the results of these tests are affected by testing single or multiple mice simultaneously. Therefore, this study evaluated the differences between testing two mice simultaneously or separately. To investigate the effect of testing multiple mice simultaneously, the Porsolt forced swim test and tail suspension test were performed in three patterns: (1) testing with an opaque partition between two mice, (2) testing without a partition between two mice, and (3) testing a single mouse. In the Porsolt forced swim test, the mice tested simultaneously without a partition demonstrated increased immobility time as compared to mice tested alone. No difference in immobility time was observed between the three groups in the tail suspension test. Our results showed that the environment of behavioural experiments investigating depression-like behaviour in mice can cause a difference in depression-like behaviour. The results of this experiment indicated that it is necessary to describe the method used for behavioural testing in detail.
Daily and seasonal heat usage patterns analysis in heat networks
Authors: Dang L. Minh , Lee Sujin , Li Yanfen , Oh Chanmi , Nguyen Tan N. , Song Hyoung-Kyu , Moon Hyeonjoon
Published: June 2022

Heat usage patterns, which are greatly affected by the users' behaviors, network performances, and control logic, are a crucial indicator of the effective and efficient management of district heating networks. The variations in the heat load can be daily or seasonal. The daily variations are primarily influenced by the customers' social behaviors, whereas the seasonal variations are mainly caused by the large temperature differences between the seasons over the year. Irregular heat load patterns can significantly raise costs due to pricey peak fuels and increased peak heat load capacities. The in-depth analyses of heat load profiles are regrettably quite rare and small-scale up until now. Therefore, this study offers a comprehensive investigation of a district heating network operation in order to exploit the major features of the heat usage patterns and discover the big factors that affect the heat load patterns. In addition, this study also provides detailed explanations of the features that can be considered the main drivers of the users' heat load demand. Finally, two primary daily heat usage patterns are extracted, which are exploited to efficiently train the prediction model.
Dysregulation of microRNAs and tRNA-derived ncRNAs in mesothelial and mesothelioma cell lines after asbestiform fiber exposure
Authors: Filetti Veronica , La Ferlita Alessandro , Di Maria Antonio , Cardile Venera , Graziano Adriana C. E. , Rapisarda Venerando , Ledda Caterina , Pulvirenti Alfredo , Loreto Carla
Published: June 2022

Experimental evidence demonstrated that fluoro-edenite (FE) can develop chronic respiratory diseases and elicit carcinogenic effects. Environmental exposure to FE fibers is correlated with malignant pleural mesothelioma (MPM). An early diagnosis of MPM, and a comprehensive health monitoring of the patients exposed to FE fibers are two clinical issues that may be solved by the identification of specific biomarkers. We reported the microRNA (miRNA) and transfer RNA-derived non coding RNA (tRNA-derived ncRNA) transcriptome in human normal mesothelial and malignant mesothelioma cell lines exposed or not exposed to several concentration FE fibers. Furthermore, an interactive mesothelioma-based network was derived by using NetME tool. In untreated condition, the expression of miRNAs and tRNA-derived ncRNAs in tumor cells was significantly different with respect to non-tumor samples. Moreover, interesting and significant changes were found after the exposure of both cells lines to FE fibers. The network-based pathway analysis showed several signaling and metabolic pathways potentially involved in the pathogenesis of MPM. From papers analyzed by NetME, it is clear that many miRNAs can positively or negatively influence various pathways involved in MPM. For the first time, the analysis of tRNA-derived ncRNAs molecules in the context of mesothelioma has been made by using in vitro systems. Further studies will be designed to test and validate their diagnostic potential in high-risk individuals' liquid biopsies.
One-component quantum mechanics and dynamical leakage-free paths
Authors: Jing Jun , Wu Lian-Ao
Published: June 2022

We derive an exact one-component equation of motion for the probability amplitude of a target time-dependent state, and use the equation to reformulate quantum dynamics and control for both closed and open systems. Using the one-component equation, we show that an unexpected time-dependent leakage-free path can be induced and we capture a necessary quantity in determining the effect of decoherence suppression. Our control protocol based on the nonperturbative leakage elimination operator provides a unified perspective connecting some subtle, popular, and important concepts of quantum control, such as dynamical decoupling, quantum Zeno effect, and adiabatic passage. The resultant one-component equation will promise significant advantages in both quantum dynamics and control.
Resistivity and thermal conductivity of an organic insulator β′–EtMe3Sb[Pd(dmit)2]2
Authors: Yamashita Minoru , Sato Yuki , Kasahara Yuichi , Kasahara Shigeru , Shibauchi Takasada , Matsuda Yuji
Published: June 2022

A finite residual linear term in the thermal conductivity at zero temperature in insulating magnets indicates the presence of gapless excitations of itinerant quasiparticles, which has been observed in some candidate materials of quantum spin liquids (QSLs). In the organic triangular insulator β′–EtMe3Sb[Pd(dmit)2]2, a QSL candidate material, the low-temperature thermal conductivity depends on the cooling process and the finite residual term is observed only in samples with large thermal conductivity. Moreover, the cooling rate dependence is largely sample dependent. Here we find that, while the low-temperature thermal conductivity significantly depends on the cooling rate, the high-temperature resistivity is almost perfectly independent of the cooling rate. These results indicate that in the samples with the finite residual term, the mean free path of the quasiparticles that carry the heat at low temperatures is governed by disorders, whose characteristic length scale of the distribution is much longer than the electron mean free path that determines the high-temperature resistivity. This explains why recent X-ray diffraction and nuclear magnetic resonance measurements show no cooling rate dependence. Naturally, these measurements are unsuitable for detecting disorders of the length scale relevant for the thermal conductivity, just as they cannot determine the residual resistivity of metals. Present results indicate that very careful experiments are needed when discussing itinerant spin excitations in β′–EtMe3Sb[Pd(dmit)2]2.
A computational model of organism development and carcinogenesis resulting from cells’ bioelectric properties and communication
Authors: Carvalho Joao
Published: June 2022

A sound theory of biological organization is clearly missing for a better interpretation of observational results and faster progress in understanding life complexity. The availability of such a theory represents a fundamental progress in explaining both normal and pathological organism development. The present work introduces a computational implementation of some principles of a theory of organism development, namely that the default state of cells is proliferation and motility, and includes the principle of variation and organization by closure of constraints. In the present model, the bioelectric context of cells and tissue is the field responsible for organization, as it regulates cell proliferation and the level of communication driving the system’s evolution. Starting from a depolarized (proliferative) cell, the organism grows to a certain size, limited by the increasingly polarized state after successive proliferation events. The system reaches homeostasis, with a depolarized core (proliferative cells) surrounded by a rim of polarized cells (non-proliferative in this condition). This state is resilient to cell death (random or due to injure) and to limited depolarization (potentially carcinogenic) events. Carcinogenesis is introduced through a localized event (a spot of depolarized cells) or by random depolarization of cells in the tissue, which returns cells to their initial proliferative state. The normalization of the bioelectric condition can reverse this out-of-equilibrium state to a new homeostatic one. This simplified model of embryogenesis, tissue organization and carcinogenesis, based on non-excitable cells’ bioelectric properties, can be made more realistic with the introduction of other components, like biochemical fields and mechanical interactions, which are fundamental for a more faithful representation of reality. However, even a simple model can give insight for new approaches in complex systems and suggest new experimental tests, focused in its predictions and interpreted under a new paradigm.
Light absorption enhancement in thin film GaAs solar cells using dielectric nanoparticles
Authors: Chaudhry Fateh A. , Escandell Lorena , López-Fraguas Eduardo , Vergaz Ricardo , Sánchez-Pena José Manuel , García-Cámara Braulio
Published: June 2022

Cost-effective and lightweight solar cells are currently demanded in strategic fields such as space applications or integrated-wearable devices. A reduction of the active layer thickness, producing thin-film devices, has been a traditional solution to accomplish both requirements. However, this solution also reduces the efficiency of the device. For this reason, alternative strategies are being proposed. In this work, light trapping effects of an array of semiconductor nanoparticles located on the top surface of a thin-film GaAs solar cell are investigated to improve the optical absorption and current density in active layer, under the standard AM-1.5 solar spectrum. The numerical results are compared with other previous proposals such as an aluminum nanoparticle array, as well as conventional solar cells with and without a standard anti-reflective coating (ARC). The inclusion of semiconductor nanoparticles (NPs) shows an improved response of the solar cells at different angles of incidence in comparison to solar cell with an ARC. Furthermore, the efficiency increases a 10% respect to the aluminum nanoparticles (NPs) architecture, and a 21% and a 30% respect to solar cells with and without ARC, respectively.
Impact of preoperative laboratory frailty index on mortality and clinical outcomes in older surgical patients with cancer
Authors: Kim Yoonjoo , Song Kijun , Kang Chang Moo , Lee Hyangkyu
Published: June 2022

Frailty in older patients is associated with poor postoperative outcomes. The use of uncomplicated frailty measurement tools is preferred in busy clinical settings. Therefore, we validated the frailty index using routine laboratory data and the surgical outcomes of older patients with cancer who underwent cancer resection. We retrospectively analyzed 9015 patients aged 65 years and older who underwent cancer resection at a single tertiary hospital. Based on electronic-medical-record data regarding preoperative blood test results and vital signs, Laboratory Frailty Index (FI-Lab) scores were generated to measure preoperative frailty. The associations of FI-Lab with postoperative length of stay (LOS), readmission within 30 days, intensive care unit (ICU) admission within 30 days, and mortality were evaluated. The mean FI-Lab score of the 9015 patients was 0.20 ± 0.10. Increased FI-Lab scores (0.25–0.4; > 0.4) were associated with longer LOS, increased readmission within 30 days of surgery, ICU admission, and increased mortality, compared with FI-Lab scores < 0.25. The FI-Lab score, as a frailty indicator, was able to predict the risk of poor postoperative outcomes. Therefore, the FI-Lab is a potentially useful tool for assessing preoperative frailty in older patients with cancer in acute clinical setting.
Feature selection for global tropospheric ozone prediction based on the BO-XGBoost-RFE algorithm
Authors: Zhang Biao , Zhang Ying , Jiang Xuchu
Published: June 2022

Ozone is one of the most important air pollutants, with significant impacts on human health, regional air quality and ecosystems. In this study, we use geographic information and environmental information of the monitoring site of 5577 regions in the world from 2010 to 2014 as feature input to predict the long-term average ozone concentration of the site. A Bayesian optimization-based XGBoost-RFE feature selection model BO-XGBoost-RFE is proposed, and a variety of machine learning algorithms are used to predict ozone concentration based on the optimal feature subset. Since the selection of the underlying model hyperparameters is involved in the recursive feature selection process, different hyperparameter combinations will lead to differences in the feature subsets selected by the model, so that the feature subsets obtained by the model may not be optimal solutions. We combine the Bayesian optimization algorithm to adjust the parameters of recursive feature elimination based on XGBoost to obtain the optimal parameter combination and the optimal feature subset under the parameter combination. Experiments on long-term ozone concentration prediction on a global scale show that the prediction accuracy of the model after Bayesian optimized XGBoost-RFE feature selection is higher than that based on all features and on feature selection with Pearson correlation. Among the four prediction models, random forest obtained the highest prediction accuracy. The XGBoost prediction model achieved the greatest improvement in accuracy.
Urban climate changes during the COVID-19 pandemic: integration of urban-building-energy model with social big data
Authors: Takane Yuya , Nakajima Ko , Kikegawa Yukihiro
Published: June 2022

The changes in human behaviour associated with the spread of COVID-19 infections have changed the urban environment. However, little is known about the extent to which they have changed the urban climate, especially in air temperature (T), anthropogenic heat emission (QF) and electricity consumption (EC). We quantitatively evaluated these effects using a unique method that integrates real-time human population data (social big data) with an urban climate model. The results showed that in an office district in the city centre of Tokyo, the biggest metropolis in the world, under a significantly reduced population,EC(CO2emissions) would be 30% andQFwould be 33% of pre-COVID levels (without the stay-at-home advisories). This resulted in aTdecrease of about 0.2 °C, representing about 20% of the past greenhouse gas-induced warming (about 1.0 °C) in Tokyo. This method can be benchmarked and then applied to worldwide. The results suggest that changes in human behaviour can represent an adaptation and decarbonising strategies to climate change in cities.
Atomically dispersed Pt and Fe sites and Pt–Fe nanoparticles for durable proton exchange membrane fuel cells
Authors: Xiao Fei , Wang Qi , Xu Gui-Liang , Qin Xueping , Hwang Inhui , Sun Cheng-Jun , Liu Min , Hua Wei , Wu Hsi-wen , Zhu Shangqian , Li Jin-Cheng , Wang Jian-Gan , Zhu Yuanmin , Wu Duojie , Wei Zidong , Gu Meng , Amine Khalil , Shao Minhua
Published: June 2022

Proton exchange membrane fuel cells convert hydrogen and oxygen into electricity without emissions. The high cost and low durability of Pt-based electrocatalysts for the oxygen reduction reaction hinder their wide application, and the development of non-precious metal electrocatalysts is limited by their low performance. Here we design a hybrid electrocatalyst that consists of atomically dispersed Pt and Fe single atoms and Pt–Fe alloy nanoparticles. Its Pt mass activity is 3.7 times higher than that of commercial Pt/C in a fuel cell. More importantly, the fuel cell with a low Pt loading in the cathode (0.015 mgPt cm−2) shows an excellent durability, with a 97% activity retention after 100,000 cycles and no noticeable current drop at 0.6 V for over 200 hours. These results highlight the importance of the synergistic effects among active sites in hybrid electrocatalysts and provide an alternative way to design more active and durable low-Pt electrocatalysts for electrochemical devices.
Computational methods to simulate molten salt thermophysical properties
Authors: Porter Talmage , Vaka Michael M. , Steenblik Parker , Della Corte Dennis
Published: June 2022

Molten salts are important thermal conductors used in molten salt reactors and solar applications. To use molten salts safely, accurate knowledge of their thermophysical properties is necessary. However, it is experimentally challenging to measure these properties and a comprehensive evaluation of the full chemical space is unfeasible. Computational methods provide an alternative route to access these properties. Here, we summarize the developments in methods over the last 70 years and cluster them into three relevant eras. We review the main advances and limitations of each era and conclude with an optimistic perspective for the next decade, which will likely be dominated by emerging machine learning techniques. This article is aimed to help researchers in peripheral scientific domains understand the current challenges of molten salt simulation and identify opportunities to contribute.
Applications of upconversion nanoparticles in analytical and biomedical sciences: a review
Authors: Borse Shraddha , Rafique Rafia , Murthy Z. V. P. , Park Tae Jung , Kailasa Suresh Kumar
Published: June 2022

Upconversion nanoparticles have gained more attention due to their unique photon conversion capability from an incident wavelength to a more suitable emission wavelength at a designated site, thus improving their scope in analytical and biomedical sciences.
First-row transition metal-based materials derived from bimetallic metal–organic frameworks as highly efficient electrocatalysts for electrochemical water splitting
Authors: Sanati Soheila , Morsali Ali , García Hermenegildo
Published: June 2022

Electrochemical water splitting is a mature technology for hydrogen generation.
Immunological quantitative detection of dicofol in medicinal materials
Authors: Lin Lu , Xu Xinxin , Song Shanshan , Xu Liguang , Zhu Yingyue , Kuang Hua , Liu Liqiang , Xu Chuanlai
Published: June 2022

A quantitative immunochromatographic strip assay was developed for the rapid detection of dicofol in medicinal materials.
Albumin-mediated extracellular zinc speciation drives cellular zinc uptake
Authors: Coverdale James P. C. , van den Berg Hugo A. , Khazaipoul Siavash , Bridgewater Hannah E. , Stewart Alan J. , Blindauer Claudia A.
Published: June 2022

Fatty acids alter zinc speciation in plasma, increasing zinc influx into endothelial cells.
Coincident measurement of photo-ion circular dichroism and photo-electron circular dichroism in 1-phenylethylamine
Authors: Lehmann Carl Stefan , Botros Demian , Weitzel Karl-Michael
Published: June 2022

Here, we report the coincident measurement of PICD and PECD effects in 1-phenylethylamine upon multiphoton ionization.
An upcycled wood sponge adsorbent for drinking water purification by solar steam generation
Authors: Li Meng , Xu Mengwen , Shi Quanyu , Wang Haotian , Guo Hongmin , Wang Lidong , James Tony D.
Published: June 2022

A 3D-MoS2 based wood sponge absorbent was upcycled to construct a solar steam generator for drinking water purification.
Solar H2 production systems: current status and prospective applications
Authors: Pirrone Noemi , Bella Federico , Hernández Simelys
Published: June 2022

A critical point of view of recent developments in sun-driven water splitting reactors for green H2 production, from materials optimization to device engineering, pointing out the limitations of large-scale application of these technologies.
Systematic QSAR and iQCCR modelling of fused/non-fused aromatic hydrocarbons (FNFAHs) carcinogenicity to rodents: reducing unnecessary chemical synthesis and animal testing
Authors: Li Feifan , Fan Tengjiao , Sun Guohui , Zhao Lijiao , Zhong Rugang , Peng Yongzhen
Published: June 2022

The prediction of new or untested FNFAHs will reduce unnecessary chemical synthesis and animal testing, and contribute to the design of safer chemicals for production activities.
Super-strong CNT composite yarn with tight CNT packing via a compress-stretch process
Authors: Wei Xiaoxiao , Wang Jilong , Ma Huan , Farha Farial Islam , Bi Siyi , Zhang Qin , Xu Fujun
Published: June 2022

We designed simple yet highly effective and consecutive strengthening processes to manufacture high-performance CNT/PVA composite yarn with ultra-large diameter for industrial applications.
AgNTf2 catalyzed cycloaddition of N-acyliminium ions with alkynes for the synthesis of the 3,4-dihydro-1,3-oxazin-2-one skeleton
Authors: Xu Wen-Ke , Guo Jia-Ming , Liu Chang-Hong , Sun Jian-Ting , Lv Min , Wei Bang-Guo
Published: June 2022

A catalyzed process for the synthesis of the 4,6-substituted 3,4-dihydro-1,3-oxazin-2-one skeleton has been developed through cycloaddition of in situ generated acyliminium intermediates with alkynes.
Recent advances in asymmetric organocatalysis based on helical polymers
Authors: Zhou Li , He Kai , Liu Na , Wu Zong-Quan
Published: June 2022

The significant research progress (from 2011 to 2021) in artificial helical polymers, such as polyacetylenes, polyisocyanides, polycarbenes, etc., in the fields of asymmetric organocatalysis is described.
In situ growth of S-incorporated CoNiFe(oxy)hydroxide nanoarrays as efficient multifunctional electrocatalysts
Authors: Fang Caihong , Zhang Deliang , Wang Xin , Li Ran
Published: June 2022

S-incorporated CoNiFe(oxy)hydroxides offer abundant active sites, electron conductivity, crystalline/amorphous interface, improving their electrocatalytic performances to oxygen evolution, urea oxidation, and overall urea/water splitting reactions.
Zn(ii)-Coordination-driven self-assembled nanoagents for multimodal imaging-guided photothermal/gene synergistic therapy
Authors: Hu Hui , Yang Nan , Sun Jiahui , Zhou Fu , Gu Rui , Liu Yuan , Wang Li , Song Xuejiao , Yun Ruirui , Dong Xiaochen , Wang Guangfeng
Published: June 2022

siRNA@PT-ZIF-8 was prepared by one pot self-assembly for tri-mode imaging guided mild-temperature photothermal synergetic gene therapy.
Efficient visible/NIR light-driven uncaging of hydroxylated thiazole orange-based caged compounds in aqueous media
Authors: Hashimoto Ryu , Minoshima Masafumi , Sakata Souhei , Ono Fumihito , Ishii Hirokazu , Watakabe Yuki , Nemoto Tomomi , Yanaka Saeko , Kato Koichi , Kikuchi Kazuya
Published: June 2022

A hydroxylated thiazole orange (HTO)-caged glutamate efficiently releases a glutamate for temporal activation of ion channels under visible-to-NIR light in aqueous media.