bluuebunny/crossref_metadata_2025_split huggingface dataset:
Minimal crystallographic descriptors of sorption properties in hypothetical MOFs and role in sequential learning optimization
Authors: Trezza Giovanni , Bergamasco Luca , Fasano Matteo , Chiavazzo Eliodoro 
Published: June 2022

AbstractWe focus on gas sorption within metal-organic frameworks (MOFs) for energy applications and identify the minimal set of crystallographic descriptors underpinning the most important properties of MOFs for CO2 and H2O. A comprehensive comparison of several sequential learning algorithms for MOFs properties optimization is performed and the role played by those descriptors is clarified. In energy transformations, thermodynamic limits of important figures of merit crucially depend on equilibrium properties in a wide range of sorbate coverage values, which is often only partially accessible, hence possibly preventing the computation of desired objective functions. We propose a fast procedure for optimizing specific energy in a closed sorption energy storage system with only access to a single water Henry coefficient value and to the specific surface area. We are thus able to identify hypothetical candidate MOFs that are predicted to outperform state-of-the-art water-sorbent pairs for thermal energy storage applications.
Soft, stretchable thermal protective substrates for wearable electronics
Authors: Nie Shuang , Cai Min , Yang Huang , Shen Liyin , Wang Suhao , Zhu Yang , Song Jizhou 
Published: June 2022

AbstractWearable electronics have continued to attract the attention of researchers and clinicians due to their great potential in medical applications. During their operations, the undesired heating may cause thermal discomfort or damage to skin. Seeking materials and structures for advanced thermal protection has become an urgent issue. Here, we report a soft, stretchable thermal protective substrate for wearable electronics with remarkable thermal insulating performance, mechanical compliance and stretchability. The thermal protective substrate features a composite design of the widely used polymeric material polydimethylsiloxane with embedded heat absorbing microspheres, consisting of phase change materials encapsulated inside the resin shell. Experimental and numerical studies show that the thermal protective substrate could be subjected to complex deformations over 150% and could reduce the peak skin temperature increase by 82% or higher under optimizations. In vivo demonstration of this concept on the mouse skin illustrates its unusual thermal protection capability for wearable thermal management.
Removal of organic matter and nutrients from hospital wastewater by electro bioreactor coupled with tubesettler
Authors: Khan Roohul Abad , Morabet Rachida El , Khan Nadeem A , Ahmed Sirajuddin , Alsubih Majed , Mubarak Nabisab Mujawar , Dehghani Mohammad Hadi , Karri Rama Rao , Zomorodiyan Nooshin 
Published: June 2022

AbstractWastewater consisting of different pharmaceuticals and drug residues is quite challenging to treat and dispose of. This situation poses a significant impact on the health aspect of humans and other biotic organisms in the environment. The main concern of hospital wastewater (HWW) is the resistivity towards treatment using the different conventional methods. For the treatment of HWW, this study was performed using an electro bioreactor using hospital wastewater. The electro reduction overcomes the effect of toxic elements in hospital wastewater, and biodegradation removes organic matter and nutrients from wastewater. This study investigated electro bioreactor performance for treating hospital wastewater connected with tubesettler. The parameters of chemical oxygen demand, nitrate, and phosphate concentration were analyzed to evaluate an influent and effluent from electro bioreactor and tubesettler. Also, Kinetic modelling for chemical oxygen demand, nitrate, and phosphate removal was done. The chemical oxygen demand was reduced by 76% in electro bioreactor, and 31% in tubesettler, 84%. The nitrate and phosphate were reduced within permissible discharge limits with a final effluent concentration of 1.4 mg L−1 and 3 mg L−1. Further studies are required to assess the impact of pharmaceutical compounds in hospital wastewater on the system's performance.
The effects of response inhibition training following binge memory retrieval in young adults binge eaters: a randomised-controlled experimental study
Authors: Das Ravi K. , Cawley Emma A. , Simeonov Louise , Piazza Giulia , Schmidt Ulrike , Wiers Reinout W. H. J. , Kamboj Sunjeev K. 
Published: June 2022

AbstractBinge eating is increasingly prevalent among adolescents and young adults and can have a lasting harmful impact on mental and physical health. Mechanistic insights suggest that aberrant reward-learning and biased cognitive processing may be involved in the aetiology of binge eating. We therefore investigated whether recently developed approaches to catalyse brief interventions by putatively updating maladaptive memory could also boost the effects of cognitive bias modification training on binge eating behaviour. A non-treatment-seeking sample of 90 binge eating young adults were evenly randomised to undergo either selective food response inhibition training, or sham training following binge memory reactivation. A third group received training without binge memory reactivation. Laboratory measures of reactivity and biased responses to food cues were assessed pre-post intervention and bingeing behaviour and disordered eating assessed up to 9 months post-intervention. The protocol was pre-registered athttps://osf.io/82c4r/.We found limited evidence of premorbid biased processing in lab-assessed measures of cognitive biases to self-selected images of typical binge foods. Accordingly, there was little evidence of CBM reducing these biases and this was not boosted by prior ‘reactivation’ of binge food reward memories. No group differences were observed on long-term bingeing behaviour, caloric consumption or disordered eating symptomatology. These findings align with recent studies showing limited impact of selective inhibition training on binge eating and do not permit conclusions regarding the utility of retrieval-dependent memory ‘update’ mechanisms as a treatment catalyst for response inhibition training.
Polarization insensitive split square ring resonator based epsilon-negative and near zero refractive index metamaterial for S, C, and X frequency bands satellite and radar communications
Authors: Hossain Ismail , Islam Mohammad Tariqul , Samsuzzaman Md. , Moniruzzaman Md. , Sahar Norsuzlin Binti Mohd , Almalki Sami H. A. , Salaheldeen M M. , Alzamil Ahmed , Islam Md. Shabiul 
Published: June 2022

AbstractThis study has investigated the impact of inverse G-like shape resonators that exhibited epsilon negative (ENG) and near-zero refractive index (NZI) properties for multi-band wireless communications applications. The electrical measurement of structure is 0.118λ × 0.118λ × 0.021 λ, which is calculated at 3.94 GHz. FR-4 is used as a substrate layer, and the resonator is designed on it. This structure is manifested in the ENG and NZI characteristics within the frequency range of 3.8–4.17, 7.68–8.54, 10.67–11.36 GHz, and 4.07–4.15 and 8.29–8.37 GHz, respectively. This study also manifests the polarization insensitivity nature of 0°–90°, and the incident angle is investigated up to 60° for both TE and TM modes. The proposed structure achieves triple resonance at 3.94 GHz, 8.08 GHz, and 11.17 GHz, respectively, included in the S, C, and X frequency bands. The CST Microwave Studio 2019 software is conducted to design, develop, perform analysis, investigate electromagnetic properties, and extract effective medium parameters. The Advanced Design Software (ADS) is used to model the equivalent circuit of the unit cell. The simulated, measured, and ADS results verified the scattering parameter performance. The EMR value of the structure is 8.47, indicating the structure's compactness. The compact design with simplicity, ENG, and NZI properties make the proposed structure significant for microwave application, mainly to enhance the antenna bandwidth and gain filter design. ENG and NZI properties the operation frequency stability and efficiency for low earth orbit nanosatellite communications.
Variant-driven early warning via unsupervised machine learning analysis of spike protein mutations for COVID-19
Authors: de Hoffer Adele , Vatani Shahram , Cot Corentin , Cacciapaglia Giacomo , Chiusano Maria Luisa , Cimarelli Andrea , Conventi Francesco , Giannini Antonio , Hohenegger Stefan , Sannino Francesco 
Published: June 2022

AbstractNever before such a vast amount of data, including genome sequencing, has been collected for any viral pandemic than for the current case of COVID-19. This offers the possibility to trace the virus evolution and to assess the role mutations play in its spread within the population, in real time. To this end, we focused on the Spike protein for its central role in mediating viral outbreak and replication in host cells. Employing the Levenshtein distance on the Spike protein sequences, we designed a machine learning algorithm yielding a temporal clustering of the available dataset. From this, we were able to identify and define emerging persistent variants that are in agreement with known evidences. Our novel algorithm allowed us to define persistent variants as chains that remain stable over time and to highlight emerging variants of epidemiological interest as branching events that occur over time. Hence, we determined the relationship and temporal connection between variants of interest and the ensuing passage to dominance of the current variants of concern. Remarkably, the analysis and the relevant tools introduced in our work serve as an early warning for the emergence of new persistent variants once the associated cluster reaches 1% of the time-binned sequence data. We validated our approach and its effectiveness on the onset of the Alpha variant of concern. We further predict that the recently identified lineage AY.4.2 (‘Delta plus’) is causing a new emerging variant. Comparing our findings with the epidemiological data we demonstrated that each new wave is dominated by a new emerging variant, thus confirming the hypothesis of the existence of a strong correlation between the birth of variants and the pandemic multi-wave temporal pattern. The above allows us to introduce the epidemiology of variants that we described via the Mutation epidemiological Renormalisation Group framework.
Magnetic phase diagram of the solid solution LaMn2(Ge1−xSix)2 (0 ≤ x ≤ 1) unraveled by powder neutron diffraction
Authors: Siebeneichler Stefanie , Ovchinnikov Alexander , Bosch-Santos Brianna , Cabrera-Pasca Gabriel A. , Flacau Roxana , Huang Qingzhen , Carbonari Artur W. , Ryan Dominic , Mudring Anja-Verena 
Published: June 2022

AbstractThe structural and magnetic properties of the ThCr2Si2-type solid solution LaMn2(Ge1−xSix)2 (x = 0.0 to 1.0) have been investigated employing a combination of X-ray diffraction, magnetization and neutron diffraction measurements, which allowed establishing a magnetic composition-temperature phase diagram. Substitution of Ge by Si leads to a compression of the unit cell, which affects the magnetic exchange interactions. In particular, the magnetic structure of LaMn2(Ge1−xSix)2 is strongly affected by the unit cell parameter c, which is related to the distance between adjacent Mn layers. Commensurate antiferromagnetic layers and a canted ferromagnetic structure dominate the Si-rich part of the solid solution, whilst an incommensurate antiferromagnetic flat spiral and a conical magnetic structure are observed in the Si-poor part.
Supplemental light application can improve the growth and development of strawberry plants under salinity and alkalinity stress conditions
Authors: Malekzadeh Shamsabad Mohammad Reza , Esmaeilizadeh Majid , Roosta Hamid Reza , Dąbrowski Piotr , Telesiński Arkadiusz , Kalaji Hazem M. 
Published: June 2022

AbstractThe use of complementary light spectra is a potential new approach to studying the increase in plant resilience under stress conditions. The purpose of this experiment was to investigate the effect of different spectra of complementary light on the growth and development of strawberry plants under salinity and alkalinity stress conditions. Plants were grown in the greenhouse under ambient light and irradiated with blue (460 nm), red (660 nm), blue/red (1:3), and white/yellow (400–700 nm) light during the developmental stages. The stress treatments were as follows: control (non-stress), alkalinity (40 mM NaHCO3), and salinity (80 mM NaCl). Our results showed that salinity and alkalinity stress decreased fresh and dry weights and the number of green leaves, and increased chlorotic, tip burn, and dry leaves. The blue and red spectra had a greater effect on reducing the effects of stress compared to other spectra. Stress conditions decreased SPAD and RWC, although blue light increased SPAD, and blue/red light increased RWC under stress conditions. Blue/red and white/yellow light had the greatest effect on reproductive traits. Stress conditions affected fruit color indicators, and red and blue light had the most significant effect on these traits. Under stress conditions, sodium uptake increased, while K, Ca, Mg, and Fe uptake decreased, markedly. Blue and red light and their combination alleviated this reducing effect of stress. It can be concluded that the effects of salinity and alkalinity stresses can be reduced by manipulating the supplemental light spectrum. The use of artificial light can be extended to stresses.
Preventing a global transition to thermoacoustic instability by targeting local dynamics
Authors: George Nitin Babu , Raghunathan Manikandan , Unni Vishnu R , Sujith R. I. , Kurths Jürgen , Surovyatkina Elena 
Published: June 2022

AbstractThe burning of fossil fuels to generate power produces harmful emissions. Lowering such emissions in gas turbine engines is possible by operating them at fuel-lean conditions. However, such strategies often fail because, under fuel-lean conditions, the combustors are prone to catastrophic high-amplitude oscillations known as thermoacoustic instability. We reveal that, as an operating parameter is varied in time, the transition to thermoacoustic instability is initiated at specific spatial regions before it is observed in larger regions of the combustor. We use two indicators to discover such inceptive regions: the growth of variance of fluctuations in spatially resolved heat release rate and its spatiotemporal evolution. In this study, we report experimental evidence of suppression of the global transition to thermoacoustic instability through targeted modification of local dynamics at the inceptive regions. We strategically arrange slots on the flame anchor, which, in turn, reduce the local heat release rate fluctuations at the inceptive regions and thus suppress the global transition to thermoacoustic instability. Our results open new perspectives for combustors that are more environmental-friendly.
Empirical analyses and simulations showed that different machine and statistical learning methods had differing performance for predicting blood pressure
Authors: Austin Peter C. , Harrell Frank E. , Lee Douglas S. , Steyerberg Ewout W. 
Published: June 2022

AbstractMachine learning is increasingly being used to predict clinical outcomes. Most comparisons of different methods have been based on empirical analyses in specific datasets. We used Monte Carlo simulations to determine when machine learning methods perform better than statistical learning methods in a specific setting. We evaluated six learning methods: stochastic gradient boosting machines using trees as the base learners, random forests, artificial neural networks, the lasso, ridge regression, and linear regression estimated using ordinary least squares (OLS). Our simulations were informed by empirical analyses in patients with acute myocardial infarction (AMI) and congestive heart failure (CHF) and used six data-generating processes, each based on one of the six learning methods, to simulate continuous outcomes in the derivation and validation samples. The outcome was systolic blood pressure at hospital discharge, a continuous outcome. We applied the six learning methods in each of the simulated derivation samples and evaluated performance in the simulated validation samples. The primary observation was that neural networks tended to result in estimates with worse predictive accuracy than the other five methods in both disease samples and across all six data-generating processes. Boosted trees and OLS regression tended to perform well across a range of scenarios.
Low expression of IGFBP4 and TAGLN accelerate the poor overall survival of osteosarcoma
Authors: Xi Yue , Liu Jianlin , Shen Gufeng 
Published: June 2022

AbstractOsteosarcoma is a common malignant bone tumor characterized by the production of osteoid stroma by the tumor. However, effect of IGFBP4 and TAGLN on the survival of osteosarcoma is unclear. The GEO database was used to identify the differentially expressed genes (DEGs) between control samples and osteosarcoma. Genes for biological process (BP), cellular composition (CC), and molecular function (MF) were examined using DAVID, Metascape, and GSEA. GSE14359 and GSE36001 were downloaded in the GEO database. GEO2R was used to find DEGs between control samples and osteosarcoma. The cytoHubb also found the hub genes of IGFBP4 and TAGLN. The Kaplan–Meier method was used to analyze overall survival. A total of 134 patients with osteosarcoma were enrolled in this study. The RNA levels of IGFBP4 and TAGLN were evaluated by RT-qPCR. The correlation between IGFBP4 and TAGLN expression and their associations with clinical indicators were analyzed using Spearman's rho test and Pearson's Chi-squared test. Univariate and multivariate Cox regression analyses were used to determine the potential prognostic factors. And the animal model was used to verify the role of hub genes on the osteosarcoma by the RT-qPCR and immunofluorescence. Support Vector Machine (SVM) was performed to construct the correlation among the expression of IGFBP4, TAGLN, and osteosarcoma. Through bioinformatics, IGFBP4 and TAGLN were identified as the hub genes of osteosarcoma. And osteosarcoma patients with high expression levels of IGFBP4 (HR = 0.56, P = 0.013) and TAGLN (HR = 0.52, P = 0.012) had better overall survival times than those with low expression levels. The results showed that pathologic grade (P = 0.017), tumor metastasis (P < 0.001), and enneking stage (P < 0.001) were significantly correlated with IGFBP4. Also, pathologic grade (P = 0.002), tumor metastasis (P < 0.001), and enneking stage (P < 0.001) were significantly related to the TAGLN. Spearman’s correlation coefficient displayed that IGFBP4 were significantly correlated with the tumor metastasis (ρ = − 0.843, P < 0.001), enneking stage (ρ = − 0.500, P < 0.001), and TAGLN (ρ = 0.821, P < 0.001). IGFBP4 (HR = 0.252, 95% CI 0.122–0.517, P < 0.001) and TAGLN (HR = 0.155, 95% CI 0.089–0.269, P < 0.001) were significantly associated with overall survival. Based on the qPCR and immunofluorescence, IGFBP4 and TAGLN were down-regulated in the osteosarcoma tissue than the control group. And the SVM presented that there exists strong relationship among the expression of IGFBP4, TAGLN, and osteosarcoma. IGFBP4 and TAGLN may be attractive molecular targets for osteosarcoma, opening a new avenue for research into the disease.
Coevolution of diagenetic fronts and fluid-fracture pathways
Authors: Koeshidayatullah Ardiansyah , Al-Sinawi Nawwar , Swart Peter K. , Boyce Adrian , Redfern Jonathan , Hollis Cathy 
Published: June 2022

AbstractDiagenetic boundaries are paleo-reaction fronts, which have the potential to archive the termination of metasomatic processes in sedimentary rocks. They have not been extensively studied, perhaps because they appear simple in outcrop. Recent work has demonstrated the significance of paleo-reaction fronts to decipher multiphase recrystallization processes and provide high porosity zones. This paper provides a detailed documentation of reaction front evolution in a tectonically active salt basin and reveals a high level of complexity, associated with multiple fluid flow and tectonic events. Here, consistent patterns of increasing dolomite stoichiometry and ordering, along with a change from seawater-derived, fabric-retentive dolomite to fracture-controlled, fabric-destructive hydrothermal dolomite are observed vertically across the stratabound dolomite bodies. These patterns, coupled with a decrease in porosity, increase in ∆47temperature and δ18Owatervalues indicate multiphase recrystallization and stabilization by warm, Mg-rich fluids. The stratabound dolomite bodies apparently terminated at a fracture-bound contact, but the presence of dolomite fragments within the fracture corridor suggests that fracturing post-dated the first dolomitization event. The termination of dolomite formation is therefore interpreted to be associated with a decrease in the capacity of the magnesium-rich fluids to dolomitize the rock, as indicated by the presence of non-stoichiometric and poorly ordered dolomite at the reaction fronts. The fracture corridors are interpreted to exploit dolostone-limestone boundaries, forming prior to a later, higher temperature, hydrothermal dolomitization event, which coincided with the formation and growth of the anticline. Karstification subsequently exploited these fracture corridors, widening fractures and leading to localized collapse and brecciation. The results demonstrate that an apparently simple reaction front can have a complex history, governed by the inheritance of prior diagenetic events. These events modified rock properties in such a way that fluid flow was repeatedly focused along the original dolomite-limestone boundary, overprinting much of its original signature. These findings have implications to the prediction of structurally controlled diagenetic processes and the exploration of naturally fractured carbonate reservoirs for energy exploration globally.
HLA class II variants defined by next generation sequencing are associated with sarcoidosis in Korean patients
Authors: Sikorová Kateřina , Moon Su-Jin , Yoon Hee-Young , Strnad Adam , Song Jin Woo , Petrek Martin 
Published: June 2022

AbstractPolymorphic genes with immune functions, namely those of the human leukocyte antigen (HLA) system, have been implicated in sarcoidosis pathogenesis. As HLA polymorphisms in sarcoidosis have not been yet investigated in the Korean population, we used next-generation sequencing (NGS), allowing detailed characterization of HLA alleles to investigate the role of HLA variation in Korean sarcoidosis patients. We enrolled 103 patients diagnosed by the ATS/ERS/WASOG guidelines at Asan Medical Centre, Seoul, Korea. Among those, genotyping of 7 HLA loci (HLA-A, -B, -C, -DQA1, -DQB1, -DRB1, -DPB1) was performed using Omixon Holotype™ kit and HLATwin software™. HLA allele frequencies were compared with frequency data on healthy Koreans from the allelic frequency databases, and 4-digit characteristics of HLA genotyping were used. Associations were assessed by two-tailed Fischer’s exact test with correction for multiple comparisons. Variants previously associated with sarcoidosis risk (HLA-C*03:04, HLA-DRB1*12:01, HLA-DRB1*14:54) and a known protective variant HLA-DPB1*04:01, were associated with sarcoidosis in Koreans. Further, we suggest new HLA variants associated with sarcoidosis risk (e.g., HLA-DQA1*05:08) and novel protective variants HLA-DQB1*03:02 and HLA-DQA1*01:02 in Koreans. This first study of HLA variation in Korean patients with sarcoidosis by precise genotyping methodology reports data that could serve future meta-analyses on HLA variation’s role in sarcoidosis.