bluuebunny/crossref_metadata_2025 huggingface dataset:
Pumping Optimization Under Uncertainty in an Island Freshwater Lens Using a Sharp‐Interface Seawater Intrusion Model
Authors: Coulon Cécile , Lemieux Jean‐Michel , Pryet Alexandre , Bayer Peter , Young Nathan L. , Molson John
Published: July 2022

Pumping optimization under uncertainty is a powerful approach for the management of groundwater resources, and its implementation would be valuable in island aquifers where freshwater lenses are affected by seawater intrusion. Sharp‐interface numerical models are especially well suited for the task as they offer fast simulation times, but to date they have not been used because of a lack of guidelines and due to the specific challenges associated with this approach. This study presents a methodology for pumping optimization under uncertainty for island freshwater lenses using a sharp‐interface model (MODFLOW‐SWI2) and demonstrates it for a real case (Magdalen Islands, Quebec, Canada). The total pumping in a well field was maximized while avoiding well salinization due to upconing. To do so, the sharp interface simulated below the pumping wells was corrected successively for cell‐to‐well upconing and for dispersion. Pumping optimization under uncertainty was then conducted using PESTPP‐OPT, considering parameter and observation uncertainty, and was repeated for 23 reliability levels to illustrate a large range of risk‐averse, tolerant and neutral stances. The maximum pumping was obtained as a function of risk of well salinization. This approach enabled quantification of the tradeoffs between pumping and risk, allocation of pumping amongst wells, and an examination of the ability of the well field to meet the water demand while maintaining an acceptable level of risk. Ultimately, this framework allows groundwater managers to select the final pumping scenario themselves, depending on their attitude toward risk.
Changes in Canada's Phosphorus Cycle 1961–2018: Surpluses and Deficits
Authors: Wang Jiaxin , Qi Zhiming , Bennett Elena M.
Published: July 2022

Human activities have greatly changed global phosphorus (P) cycling, posing urgent challenges related to both supply uncertainty and aquatic eutrophication. However, the long‐term dynamics of P across Canada remain unquantified and under‐explored. Using a material flow analysis model, we quantified temporal dynamics of P cycling in Canadian provinces from 1961 to 2018 and characterized the changes in soil P balances through the study period. We found most Canadian agricultural regions had soil P surpluses except Saskatchewan, where large P deficits (−10‐0 kg ha−1 y−1) were detected in almost all study years (except 1961). In 2018, Quebec and Atlantic provinces had the highest P surpluses (34 and 159 kg ha−1 y−1, respectively), and low P surpluses were observed in Ontario, Manitoba, Alberta and British Columbia (9, 16, 5, and 28 kg ha−1 y−1, respectively). P surplus was reduced in Quebec and Ontario after the nutrient management regulations were put in place in the 1980s. We demonstrated that P flows in cropland played a larger role in Canada P cycling than pasture. P use efficiency tended to be greatest in the Prairie provinces (0.74 in 2018), and least in the Atlantic provinces (0.12 in 2018). However, the rate of increase was considerably steeper in Ontario and Quebec than other provinces. Reducing inorganic fertilizer and manure application would be the most effective method to reduce remaining P surpluses.
Technical Note: Open‐Source Software for Water‐Level Measurement in Images With a Calibration Target
Authors: Chapman Kenneth W. , Gilmore Troy E. , Chapman Christian D. , Birgand François , Mittelstet Aaron R. , Harner Mary J. , Mehrubeoglu Mehrube , Stranzl John E.
Published: July 2022

Image‐based water level measurements offer data quality assurance through visual verification that no other method can provide. GaugeCam Remote Image Manager‐Educational 2 (GRIME2) is a mature, open‐source commercial friendly software application that automatically detects and measures water level in laboratory and field settings. The software relies on a dedicated target background for water line detection and image calibration. The system detects the change in pixel gray scale values associated with the intersection of the water level at the target surface. Fiducials on the target background are used to precisely create a pixel to real world coordinate transfer matrix and to correct for camera movement. The presented software package implements the algorithms and automates the water level measurement process, annotation of images with result overlays, creation of animations, and output of results to files that can be further analyzed in a spreadsheet or with R or Python. These GRIME2 features are illustrated using imagery from a coastal marsh field site. Tradeoffs between workflow and algorithm complexity and ease of use are discussed and future improvements are identified with the intention that this Findable, Accessible, Interoperable, and Reusable‐inspired software can be adopted, modified and improved by the user community. While image resolution, quality and other factors associated with field deployment (e.g., water surface roughness, sun glare, shadows, and bio‐fouling) will have an impact on measurement quality, previous controlled laboratory testing that did not manifest these issues showed potential for accuracy of ±3 mm (Gilmore et al., 2013, https://doi.org/10.1016/j.jhydrol.2013.05.011).
Angstrom-confined catalytic water purification within Co-TiOx laminar membrane nanochannels
Authors: Meng Chenchen , Ding Baofu , Zhang Shaoze , Cui Lele , Ostrikov Kostya Ken , Huang Ziyang , Yang Bo , Kim Jae-Hong , Zhang Zhenghua
Published: July 2022

The freshwater scarcity and inadequate access to clean water globally have rallied tremendous efforts in developing robust technologies for water purification and decontamination, and heterogeneous catalysis is a highly-promising solution. Sub-nanometer-confined reaction is the ultimate frontier of catalytic chemistry, yet it is challenging to form the angstrom channels with distributed atomic catalytic centers within, and to match the internal mass transfer and the reactive species’ lifetimes. Here, we resolve these issues by applying the concept of the angstrom-confined catalytic water contaminant degradation to achieve unprecedented reaction rates within 4.6 Å channels of two-dimensional laminate membrane assembled from monolayer cobalt-doped titanium oxide nanosheets. The demonstrated degradation rate constant of the target pollutant ranitidine (1.06 ms−1) is 5–7 orders of magnitude faster compared with the state-of-the-art, achieving the 100% degradation over 100 h continuous operation. This approach is also ~100% effective against diverse water contaminates with a retention time of <30 ms, and the strategy developed can be also extended to other two-dimensional material-assembled membranes. This work paves the way towards the generic angstrom-confined catalysis and unravels the importance of utilizing angstrom-confinement strategy in the design of efficient catalysts for water purification.
Intuitive physics learning in a deep-learning model inspired by developmental psychology
Authors: Piloto Luis S. , Weinstein Ari , Battaglia Peter , Botvinick Matthew
Published: July 2022

‘Intuitive physics’ enables our pragmatic engagement with the physical world and forms a key component of ‘common sense’ aspects of thought. Current artificial intelligence systems pale in their understanding of intuitive physics, in comparison to even very young children. Here we address this gap between humans and machines by drawing on the field of developmental psychology. First, we introduce and open-source a machine-learning dataset designed to evaluate conceptual understanding of intuitive physics, adopting the violation-of-expectation (VoE) paradigm from developmental psychology. Second, we build a deep-learning system that learns intuitive physics directly from visual data, inspired by studies of visual cognition in children. We demonstrate that our model can learn a diverse set of physical concepts, which depends critically on object-level representations, consistent with findings from developmental psychology. We consider the implications of these results both for AI and for research on human cognition.
The Toronto older adults gait archive: video and 3D inertial motion capture data of older adults’ walking
Authors: Mehdizadeh Sina , Nabavi Hoda , Sabo Andrea , Arora Twinkle , Iaboni Andrea , Taati Babak
Published: July 2022

We introduce the Toronto Older Adults Gait Archive, a gait dataset of 14 older adults containing 2D video recordings, and 2D (video pose tracking algorithms) and 3D (inertial motion capture) joint locations of the lower body. Participants walked for 60 seconds. We also collected participants’ scores on four clinical assessments of gait and balance, namely the Tinneti performance-oriented mobility assessment (POMA-gait and -balance), the Berg balance scale (BBS), and the timed-up-and-go (TUG). Three human pose tracking models (Alphapose, OpenPose, and Detectron) were used to detect body joint positions in 2D video frames and a number of gait parameters were computed using 2D video-based and 3D motion capture data. To show an example usage of our datasets, we performed a correlation analysis between the gait variables and the clinical scores. Our findings revealed that the temporal but not the spatial or variability gait variables from both systems had high correlations to clinical scores. This dataset can be used to evaluate, or to enhance vision-based pose-tracking models to the specifics of older adults’ walking.
The RETA Benchmark for Retinal Vascular Tree Analysis
Authors: Lyu Xingzheng , Cheng Li , Zhang Sanyuan
Published: July 2022

Topological and geometrical analysis of retinal blood vessels could be a cost-effective way to detect various common diseases. Automated vessel segmentation and vascular tree analysis models require powerful generalization capability in clinical applications. In this work, we constructed a novel benchmark RETA with 81 labelled vessel masks aiming to facilitate retinal vessel analysis. A semi-automated coarse-to-fine workflow was proposed for vessel annotation task. During database construction, we strived to control inter-annotator and intra-annotator variability by means of multi-stage annotation and label disambiguation on self-developed dedicated software. In addition to binary vessel masks, we obtained other types of annotations including artery/vein masks, vascular skeletons, bifurcations, trees and abnormalities. Subjective and objective quality validations of the annotated vessel masks demonstrated significantly improved quality over the existing open datasets. Our annotation software is also made publicly available serving the purpose of pixel-level vessel visualization. Researchers could develop vessel segmentation algorithms and evaluate segmentation performance using RETA. Moreover, it might promote the study of cross-modality tubular structure segmentation and analysis.
SARS-CoV-2 molecular diagnosis at airports to minimize travel-related COVID-19 spread
Authors: de La Vega Marc-Antoine , XIII Ara , Lee Marc F. , Kobinger Gary P.
Published: July 2022

Following the identification of SARS-CoV-2, screening for air travel helped mitigate spread, yet lessons learned from a case study of air travel within Canada display enhanced techniques to better identify infected individuals, informing future responsive screening. While international travel bans limit infectious spread beyond a country’s borders, such measures are hardly sustainable economically and infrequently address domestic travel. Here, we describe a case study from Canada, where a diagnostic laboratory at point of travel conducted real-time PCR-based detection of SARS-CoV-2 in support of existing interventions, including clinical and epidemiological questionnaires, and temperature checks. All mining workers departing from a populated urban area flying to one of two sites (Site A and B) in a remote northern Canadian region, which we deemed “at-risk”, because healthcare services are limited and vulnerable to epidemics. Data collected between June and November 2020 on 15,873 clinical samples, indicate that molecular diagnosis allowed for identification of 13 infected individuals, who would have otherwise been missed by using solely nonpharmaceutical interventions. Overall, no outbreaks, COVID-19-related or other, were detected at the point of travel up to December 2021 since the implementation of the laboratory, suggesting this screening process is an effective means to protect at-risk communities. The success of this study suggests a process more practical than travel bans or an unfocused screening of air travelers everywhere.
Direct PCR with the CDC 2019 SARS-CoV-2 assay: optimization for limited-resource settings
Authors: Victoriano Christia M. , Pask Megan E. , Malofsky Nicole A. , Seegmiller Adam , Simmons Steve , Schmitz Jonathan E. , Haselton Frederick R. , Adams Nicholas M.
Published: July 2022

PCR-based diagnostics generally require nucleic acid extraction from patient specimens prior to amplification. As highlighted early in the COVID-19 pandemic, extraction steps may be difficult to scale during times of massive demand and limited reagent supply. Forgoing an extraction step, we previously reported that the N1 primer/probe-set of the widespread CDC COVID-19 assay maintains high categorical sensitivity (95%) and specificity (100%) with direct inoculation of viral transport media (VTM) into qRT-PCR reactions. In contrast, the N2 set demonstrated a prominent Ct delay and low sensitivity (33%) without extraction. In the current study, we have improved the performance of this modified CDC assay (in particular the N2 set) by incorporating N1/N2/RNase P multiplexing and dissecting the effects of annealing temperature, VTM interference, and inoculum volume. The latter two factors exerted a more prominent effect on the performance of N2 than N1, although these effects were largely overcome through elevated annealing temperature. This unextracted/multiplex protocol was evaluated with 41 SARS-CoV-2 positive and 43 negative clinical samples, demonstrating a categorical sensitivity of 92.7% and specificity of 100% versus the unmodified CDC methodology. Overall, this work offers a generalizable strategy to maximize testing capabilities for COVID-19 or other emerging pathogens when resources are constrained.
Origin and timing of spilitic alterations in volcanic rocks from Głuszyca Górna in the Intra-Sudetic Basin, Poland
Authors: Powolny Tomasz , Dumańska-Słowik Magdalena , Anczkiewicz Aneta A. , Sikorska-Jaworowska Magdalena
Published: July 2022

The formation of spilitic assemblages (i.e. chlorite and albite) has been ubiquitously involved during the evolution of continental early-Permian volcanics from the Intra-Sudetic Basin (ISB). Based on the investigation of laccolith-type and variably-altered trachyandesite exposure in the vicinity of Głuszyca Górna (Lower Silesia, Poland), we have demonstrated that apatite fission-track dating (AFT), coupled with chlorite geothermometry, can be successfully applied to denote the timing of low-temperature alterations within volcanic rocks. The primary magmatic assemblages of the trachyandesites (i.e. augite and andesine-labradorite) have been affected by chloritization and alblitization respectively, followed by the formation of secondary titanite, celadonite, and calcite. The chlorite species have crystallized in the range of 106–170 °C, that exceeds Apatite Partial Annealing Zone (70–110 °C). The secondary, nearly pure albite (Ab ~ 99 mol.%) with weak to dark-brown cathodoluminescence replaces primary plagioclase (~ An37–50Ab47–58Or2–4) along the cleavage and/or twinning planes during Al3+–conservative reaction. The accessory apatite is marked by swallow-tail terminations indicative of rapid cooling formation conditions. It shows homogenous chemical composition, high F− content, and pink to yellow (REE3+ and Mn2+-activated, respectively) cathodoluminescence. Based on the AFT dating, the development of spilitic alterations within the early-Permian (ca 290 Ma) laccolith from Głuszyca could not only span the range of 182–161 Ma (Middle Jurassic), but also occurred prior to large-scale geological events in the ISB, such as burial under late-Mesozoic sediments, as well as tectonic inversion and exhumation. Whole-rock geochemistry of trachyandesites altered to various extent, indicates that original trace elements concentrations, except for i.e. Sr, Cs, and Ba, could be preserved during low-temperature alteration (spilitization). Meanwhile, geochemical fingerprint of the volcanics (i.e. humped-shaped mantle normalized trace element diagrams and positive Zr–Hf anomaly) points to the crustal contamination during magma evolution, combined with the mantle metasomatism in the source via subduction-derived components (i.e. fluids), as shown by i.e. low Nb/Th and Nb/LREE ratios.
SOD1 gains pro-oxidant activity upon aberrant oligomerization: change in enzymatic activity by intramolecular disulfide bond cleavage
Authors: Yamazaki Kosuke , Tahara Shinya , Ohyama Takumi , Kuroi Kunisato , Nakabayashi Takakazu
Published: July 2022

Copper-zinc superoxide dismutase (SOD1) has been proposed as one of the causative proteins of amyotrophic lateral sclerosis (ALS). The accumulation of non-native conformers, oligomers, and aggregates of SOD1 in motor neurons is considered responsible for this disease. However, it remains unclear which specific feature of these species induces the onset of ALS. In this study, we showed that disulfide-linked oligomers of denatured SOD1 exhibit pro-oxidant activity. Substituting all the cysteine residues in the free thiol state with serine resulted in the loss of both the propensity to oligomerize and the increase in pro-oxidant activity after denaturation. In contrast, these cysteine mutants oligomerized and acquired the pro-oxidant activity after denaturation in the presence of a reductant that cleaves the intramolecular disulfide bond. These results indicate that one of the toxicities of SOD1 oligomers is the pro-oxidant activity induced by scrambling of the disulfide bonds. Small oligomers such as dimers and trimers exhibit stronger pro-oxidant activity than large oligomers and aggregates, consistent with the trend of the cytotoxicity of oligomers and aggregates reported in previous studies. We propose that the cleavage of the intramolecular disulfide bond accompanied by the oligomerization reduces the substrate specificity of SOD1, leading to the non-native enzymatic activity.
The effectiveness of 20 μg hepatitis B vaccine used for the prevention of HBV vertical transmission
Authors: Yonghao Guo , Yanping Chen , Qiaohua Dou , Daxing Feng , Yanyang Zhang , Dongyang Zhao , Wanshen Guo
Published: July 2022

To evaluate the efficiency of a 20 μg hepatitis B vaccine(HepB) for disease prevention in two counties in Henan Province, China. A questionnaire was designed to examine the information of hepatitis B surface antigen (HBsAg) positive pregnant women, and their blood samples were collected to test for hepatitis B e antigen (HBeAg), hepatitis B e antibody, and hepatitis B virus (HBV) DNA. Three doses of 20 μg HepB and one dose of hepatitis B immune globulin(HBIG) were administered to newborns. Blood samples were collected from children one month after their complete immunization to test for HBsAg and hepatitis B surface antibody(HBsAb). A total of 419 HBsAg positive-pregnant women and 430 newborns were investigated. The average age of pregnant women was 29.6 ± 4.3 years, with an HBeAg positive rate of 29.1% (122/419). All newborns received their first dose of 20 μg hepatitis B vaccine and 100 IU HBIG within 12 h after birth. Six infants (1.9%, 6/319) tested positive for HBsAg and negative for HBsAb after one month of receiving the three basic doses of HepB. The geometric mean concentration(GMC) of HBsAb-positive infants was 861.6 mIU/mL, and their HBsAb antibody titers decreased with age. Immunization of children born to HBsAg-positive mothers with 20 μg HepB got the satisfactory effect on preventing mother-to-child transmission.
Non-political anger shifts political preferences towards stronger leaders
Authors: Ambroziak Klaudia B. , Safra Lou , Tsakiris Manos
Published: July 2022

Past research has shown that anger is associated with support for confrontational and punitive responses during crises, and notably with the endorsement of authoritarian ideologies. One important question is whether it is anger generated specifically in a political context that explains the association between anger and specific political preferences or whether any feeling of anger would be associated with changes in political attitudes. Here, we tested the effect of non-politically motivated incidental anger on the preference for strong leaders. In line with past research, we predicted that anger would increase preferences for strong leaders. Across two experiments, we exposed participants to an anger induction task. Before and after this experimental manipulation, we measured participants’ political leader preferences by asking them to choose between the faces of two leaders they would vote for in a hypothetical election. The level of self-reported anger predicted the probability of choosing more dominant-looking and less trustworthy-looking leaders after the induction, suggesting that even non-political incidental anger increases preferences for strong leaders.
Morphological variability of Carex buekii (Cyperaceae) as a function of soil conditions: a case study of the Central European populations
Authors: Więcław Helena , Bosiacka Beata , Hrivnák Richard , Dajdok Zygmunt , Mesterházy Attila , Koopman Jacob
Published: July 2022

Carex buekii is a highly adaptive species showing a fairly wide ecological spectrum. It belongs to the group of river corridor plants which are vulnerable to any human activity directed at transformation of river valley habitats worldwide. This study was aimed at: determining the phenotypic variability of the species in the central part of its range, examining effects of soil conditions on the sedge’s morphological traits, and finding out whether the phenotypic plasticity observed may have taxonomic implications. A total of 487 specimens from 26 populations were collected in Hungary, Poland and Slovakia and tested by univariate, bivariate, and multivariate statistical methods. The analysis involved 16 morphological traits and 7 soil parameters (organic matter, pH, potassium, phosphorus, nitrogen, magnesium, calcium). Soil conditions were shown to affect the C. buekii morphology; particularly important was potassium, the only soil parameter that was indicated as a factor affecting intra-specific variability. Sites with lower contents of bioavailable potassium hosted C. buekii individuals which were generally smaller than those at sites showing higher soil potassium contents. The relationship held true also with respect to generative traits important in sedge taxonomy, i.e. utricle and beak lengths. Consideration of morphological differences only, without analysing relationships between morphology and soil conditions, could have resulted in distinguishing new entities at the level of species, subspecies or variety. Thus, knowledge on the range of phenotypic plasticity in field populations seems to be of a key importance in taxonomic studies.
Sea lions could use multilateration localization for object tracking as tested with bio-inspired whisker arrays
Authors: Glick Raphael , Muthuramalingam Muthukumar , Brücker Christoph
Published: July 2022

Previous behavioural research on live sea lions has shown that they are able to detect the direction of oncoming vortices, even when impacting contralaterally. These experiments showed that the whisker system and the animal’s neural processing is seemingly able to detect the Direction of Arrival (DoA) from just one side of the heads vibrissal pads. Therefore, temporal differences between whisker stimulation is a likely method for determining the angle. Herein, a theoretical model is presented based on multilateration, and tested by experimental studies on a 2D array of bio-inspired whiskers with regular spacing, and a 3D array of bio-inspired whiskers on a model head of a sea lion, as used in our previous studies. The results show that arrays of whiskers can in principle work as antennae to determine the DoA. This detection of the DoA is achieved by cross-correlation of triplets of whiskers, and Time Difference Of Arrival based multilateration, a method similar to signal processing in modern communication systems and other source localization applications. The results on the 2D array are conclusive and clearly support the hypothesis, while increased uncertainties were found for the 3D array, which could be explained by structural shortcomings of the experimental model. Possible ways to improve the signal are discussed.
Thermodynamically-guided machine learning modelling for predicting the glass-forming ability of bulk metallic glasses
Authors: Ghorbani Alireza , Askari Amirhossein , Malekan Mehdi , Nili-Ahmadabadi Mahmoud
Published: July 2022

Glass-forming ability (GFA) of bulk metallic glasses (BMGs) is a determinant parameter which has been significantly studied. GFA improvements could be achieved through trial-and-error experiments, as a tedious work, or by using developed predicting tools. Machine-Learning (ML) has been used as a promising method to predict the properties of BMGs by removing the barriers in the way of its alloy design. This article aims to develop a ML-based method for predicting the maximum critical diameter (Dmax) of BMGs as a factor of their glass-forming ability. The main result is that the random forest method can be used as a sustainable model (R2 = 92%) for predicting glass-forming ability. Also, adding characteristic temperatures to the model will increase the accuracy and efficiency of the developed model. Comparing the measured and predicted values of Dmax for a set of newly developed BMGs indicated that the model is reliable and can be truly used for predicting the GFA of BMGs.
Elastic mechanics solution of thermal expansion of bi-material curved beam and its application to negative thermal expansion metamaterials
Authors: Huang Jingxiang , Fu Minghui , Zheng Binbin
Published: July 2022

Thermal stress impacts various engineering fields significantly, such as aerospace and precision instruments. This adverse effect can be greatly reduced, if not eliminated, by the application of micro-thermal expansion materials, and bi-material beams are widely utilized in the design of micro-thermal expansion structures, thereby exhibiting great application potentials. The elasticity solution of bi-material curved beam under free thermal expansion has been proposed by scholars. Based on this solution, the simplified form is proposed in this paper, and extended to the case where the rotation angles at both ends of the circular arc are constrained under thermal loads. Besides, the geometric parameters and the nonlinear problems of the thermal expansion of bi-material curved beam are analyzed. In addition, a novel type of negative thermal expansion material has been designed by applying the bi-material curved beam to the tetra chiral and anti-tetra chiral materials. The proposed material has greater negative thermal expansion effect than the traditional tetra and anti-tetra chiral materials that are with straight beams.
The promise of machine learning applications in solid organ transplantation
Authors: Gotlieb Neta , Azhie Amirhossein , Sharma Divya , Spann Ashley , Suo Nan-Ji , Tran Jason , Orchanian-Cheff Ani , Wang Bo , Goldenberg Anna , Chassé Michael , Cardinal Heloise , Cohen Joseph Paul , Lodi Andrea , Dieude Melanie , Bhat Mamatha
Published: July 2022

Solid-organ transplantation is a life-saving treatment for end-stage organ disease in highly selected patients. Alongside the tremendous progress in the last several decades, new challenges have emerged. The growing disparity between organ demand and supply requires optimal patient/donor selection and matching. Improvements in long-term graft and patient survival require data-driven diagnosis and management of post-transplant complications. The growing abundance of clinical, genetic, radiologic, and metabolic data in transplantation has led to increasing interest in applying machine-learning (ML) tools that can uncover hidden patterns in large datasets. ML algorithms have been applied in predictive modeling of waitlist mortality, donor–recipient matching, survival prediction, post-transplant complications diagnosis, and prediction, aiming to optimize immunosuppression and management. In this review, we provide insight into the various applications of ML in transplant medicine, why these were used to evaluate a specific clinical question, and the potential of ML to transform the care of transplant recipients. 36 articles were selected after a comprehensive search of the following databases: Ovid MEDLINE; Ovid MEDLINE Epub Ahead of Print and In-Process & Other Non-Indexed Citations; Ovid Embase; Cochrane Database of Systematic Reviews (Ovid); and Cochrane Central Register of Controlled Trials (Ovid). In summary, these studies showed that ML techniques hold great potential to improve the outcome of transplant recipients. Future work is required to improve the interpretability of these algorithms, ensure generalizability through larger-scale external validation, and establishment of infrastructure to permit clinical integration.
Machine learning-based quantitative prediction of drug exposure in drug-drug interactions using drug label information
Authors: Jang Ha Young , Song Jihyeon , Kim Jae Hyun , Lee Howard , Kim In-Wha , Moon Bongki , Oh Jung Mi
Published: July 2022

Many machine learning techniques provide a simple prediction for drug-drug interactions (DDIs). However, a systematically constructed database with pharmacokinetic (PK) DDI information does not exist, nor is there a machine learning model that numerically predicts PK fold change (FC) with it. Therefore, we propose a PK DDI prediction (PK-DDIP) model for quantitative DDI prediction with high accuracy, while constructing a highly reliable PK-DDI database. Reliable information of 3,627 PK DDIs was constructed from 3,587 drugs using 38,711 Food and Drug Administration (FDA) drug labels. This PK-DDIP model predicted the FC of the area under the time-concentration curve (AUC) within ± 0.5959. The prediction proportions within 0.8–1.25-fold, 0.67–1.5-fold, and 0.5–2-fold of the AUC were 75.77, 86.68, and 94.76%, respectively. Two external validations confirmed good prediction performance for newly updated FDA labels and FC from patients’. This model enables potential DDI evaluation before clinical trials, which will save time and cost.
Food-seeking behavior is triggered by skin ultraviolet exposure in males
Authors: Parikh Shivang , Parikh Roma , Michael Keren , Bikovski Lior , Barnabas Georgina , Mardamshina Mariya , Hemi Rina , Manich Paulee , Goldstein Nir , Malcov-Brog Hagar , Ben-Dov Tom , Glaich Ohad , Liber Daphna , Bornstein Yael , Goltseker Koral , Ben-Bezalel Roy , Pavlovsky Mor , Golan Tamar , Spitzer Liron , Matz Hagit , Gonen Pinchas , Percik Ruth , Leibou Lior , Perluk Tomer , Ast Gil , Frand Jacob , Brenner Ronen , Ziv Tamar , Khaled Mehdi , Ben-Eliyahu Shamgar , Barak Segev , Karnieli-Miller Orit , Levin Eran , Gepner Yftach , Weiss Ram , Pfluger Paul , Weller Aron , Levy Carmit
Published: July 2022

Sexual dimorphisms are responsible for profound metabolic differences in health and behavior. Whether males and females react differently to environmental cues, such as solar ultraviolet (UV) exposure, is unknown. Here we show that solar exposure induces food-seeking behavior, food intake, and food-seeking behavior and food intake in men, but not in women, through epidemiological evidence of approximately 3,000 individuals throughout the year. In mice, UVB exposure leads to increased food-seeking behavior, food intake and weight gain, with a sexual dimorphism towards males. In both mice and human males, increased appetite is correlated with elevated levels of circulating ghrelin. Specifically, UVB irradiation leads to p53 transcriptional activation of ghrelin in skin adipocytes, while a conditional p53-knockout in mice abolishes UVB-induced ghrelin expression and food-seeking behavior. In females, estrogen interferes with the p53–chromatin interaction on the ghrelin promoter, thus blocking ghrelin and food-seeking behavior in response to UVB exposure. These results identify the skin as a major mediator of energy homeostasis and may lead to therapeutic opportunities for sex-based treatments of endocrine-related diseases.
Third COVID-19 vaccine dose boosts neutralizing antibodies in poor responders
Authors: Lake Douglas F. , Roeder Alexa J. , Gonzalez-Moa Maria J. , Koehler Megan , Kaleta Erin , Jasbi Paniz , Vanderhoof John , McKechnie Davis , Forman Jack , Edwards Baylee A. , Seit-Nebi Alim , Svarovsky Sergei
Published: July 2022

Background

While evaluating COVID-19 vaccine responses using a rapid neutralizing antibody (NAb) test, we observed that 25% of mRNA vaccine recipients did not neutralize >50%. We termed this group “vaccine poor responders” (VPRs). The objective of this study was to determine if individuals who neutralized <50% would remain VPRs, or if a third dose would elicit high levels of NAbs.

Methods

269 healthy individuals ranging in age from 19 to 80 (Average age = 51; 165 females and 104 males) who received either BNT162b2 (Pfizer) or mRNA-1273 (Moderna) vaccines were evaluated. NAb levels were measured: (i) 2–4 weeks after a second vaccine dose, (ii) 2–4 months after the second dose, (iii) within 1–2 weeks prior to a third dose and (iv) 2–4 weeks after a third mRNA vaccine dose.

Results

Analysis of vaccine recipients reveals that 25% did not neutralize above 50% (Median neutralization = 21%, titers <1:80) within a month after their second dose. Twenty-three of these VPRs obtained a third dose of either BNT162b2 or mRNA-1273 vaccine 1–8 months (average = 5 months) after their second dose. Within a month after their third dose, VPRs show an average 5.4-fold increase in NAb levels (range: 46–99%).

Conclusions

The results suggest that VPRs are not permanently poor responders; they can generate high NAb levels with an additional vaccine dose. Although it is not known what levels of NAbs protect from infection or disease, those in high-risk professions may wish to keep peripheral NAb levels high, limiting infection, and potential transmission.
Solid-state lithium batteries: progresses, challenges, and outlook
Authors: de Souza Felipe , Gupta Ram K.
Published: July 2022

Solid-state lithium batteries are a technology that immediately called the attention of the scientific community and industry due to their much-desired properties of high power and energy density, while being much safer than traditional lithium-ion batteries. This book chapter covers the main concepts of solid-state batteries while comparing the advantages and disadvantages of lithium-ion batteries. In the following session, a discussion about the challenges of overcoming interfacial resistance between the anode and cathodes is provided. The strategies recently employed by researchers are discussed and explained to propose a solution for future experiments in a sense to increase the contact interaction between the components of a solid-state battery. The next section discusses the main materials used to fabricate battery components. A detailed description of examples involving materials such as polymers, oxide, and sulfide-based SSE is covered. In those sections, examples from the literature are discussed through the functioning mechanisms, fabrication, strategies, and results to form a solid idea for the younger scientific community to design and innovate on their experiments to tackle the current issues. After that, a section is devoted to the development of flexible solid-state batteries by describing the main techniques and results recently obtained by the scientific community. Finally, the concluding section discusses the main challenges and a future perspective for designing experiments for solid-state batteries.
Chemical sensors based on periodic mesoporous organosilica @NaYF4:Ln3+ nanocomposites
Authors: Liu Wanlu , Kaczmarek Anna M. , Van Der Voort Pascal , Van Deun Rik
Published: July 2022

PMO@NaYF4:Yb3+,Ln3+ (Ln3+ = Er3+, Tm3+, Ho3+) composites, in which the NaYF4 nanoparticles crystallize inside the PMO pores, have been synthesized via an easy method, opening a new window for designing PMO-based upconversion luminescent sensors.
Screening of silver nanoparticles in antibacterial products by leveraging a silver nanowire membrane as a filter and amplifier
Authors: Yang Qing , Zhang Shaoying , Ni Shouqing , Lai Yongchao , Zhan Jinhua
Published: July 2022

A filtration-based SERS platform was proposed to separate and analyse AgNPs in antibacterial products.
Construction of a hetero-junction recyclable composite photocatalyst from aluminum-based waste/magnetite for efficient carbamate insecticide oxidation
Authors: Thabet Rahma H. , Fouad Mai K. , El Sherbiny Shakinaz A. , Tony Maha A.
Published: July 2022

Twinning alum sludge with prepared magnetite nanoparticles has been confirmed to exhibit higher performance than a pristine alum sludge or magnetite nanoparticles owing to the formation of a hetero-junction between the alum sludge and magnetite.
Phenolic-rich beverages reduce bacterial TMA formation in an ex vivo–in vitro colonic fermentation model
Authors: Iglesias-Carres Lisard , Racine Kathryn C. , Neilson Andrew P.
Published: July 2022

Upper tract gastrointestinal digestion unlocks the ability of cocoa and coffee bioactives to inhibit bacterial TMA formation.
Facile synthesis of biogenic silica nanomaterial loaded transparent tragacanth gum hydrogels with improved physicochemical properties and inherent anti-bacterial activity
Authors: Verma Mohini , Dar Aqib Iqbal , Acharya Amitabha
Published: July 2022

Bowknot silica nanomaterials were isolated from Lantana camara. These were modified and used as sequester for the formation of tragacanth gum hydrogel with enhanced anti-bacterial property and further showed promising cell proliferation.
Efficient solventless dehydrogenation of formic acid by a CNC-based rhodium catalyst
Authors: Hermosilla Pablo , Urriolabeitia Asier , Iglesias Manuel , Polo Víctor , Casado Miguel A.
Published: July 2022

A CNC based rhodium complex is an efficient catalyst for formic acid dehydrogenation under solventless conditions.
Recent developments on NHC-driven dual catalytic approaches
Authors: Zhang Bei , Yang Gongming , Guo Donghui , Wang Jian
Published: July 2022

This article takes an in depth look at the early relay combination of NHC and other catalysts, and the latest progress in dual catalysis, analyzing the breakthroughs and limitations.
α-Vinyl azide–cysteine click coupling reaction enabled bioorthogonal peptide/protein modification
Authors: Shen Mei-Hua , Wang Yu-Jiao , Wang Yong , Zhou Ying , Gu Jie , Liu Xiao-Qian , Guo Jia , Ouyang Mingxing , Deng Linhong , Xu Hua-Dong
Published: July 2022

α-Alkyl and α-aryl vinyl azides were found to be able to couple with cysteine-derived alkyl thiols chemoselectively under mild conditions, providing the corresponding β-ketosulfides with simultaneous extrusion of N2 and ammonia.
Synthesis of multicolor-emitting nitrogen–sulfur co-doped carbon dots and their photochemical studies for sensing applications
Authors: Tepakidareekul Manunya , Uematsu Taro , Kuwabata Susumu
Published: July 2022

Luminescent carbon dots (CDs) have been synthesized by a solvothermal approach and their photochemical properties are evaluated. Responses to specific metal ions are observed, and the relationship with surface functional groups is discussed.
Selectivity profile comparison for certain γ-butyrolactone and oxazolidinone-based ligands on a sigma 2 receptor over sigma 1: a molecular docking approach
Authors: Bhandare Richie R. , Sigalapalli Dilep Kumar , Shaik Afzal B. , Canney Daniel J. , Blass Benjamin E.
Published: July 2022

Selective action of γ-butyrolactones and oxazolidinones towards σ2 receptor.
NIR TADF emitters and OLEDs: challenges, progress, and perspectives
Authors: Xiao Yuxin , Wang Hailan , Xie Zongliang , Shen Mingyao , Huang Rongjuan , Miao Yuchen , Liu Guanyu , Yu Tao , Huang Wei
Published: July 2022

This review presents the recent progress of NIR TADF emitters along with their molecular design strategies and photophysical properties, as well as the electroluminescence performance data of the emitters and their OLEDs.
Development and challenges of smart actuators based on water-responsive materials
Authors: Zhang Yiwei , Zhang Chuang , Wang Ruiqian , Tan Wenjun , Gu Yanyu , Yu Xiaobin , Zhu Lizhong , Liu Lianqing
Published: July 2022

This review has highlighted the WR properties of different materials and their related actuators, which may exhibit remarkable performance in various fields, such as artificial muscles, smart sensors, robots, and new energy generators.
Interface-assisted phase transition in MOF-derived MoS2/CoS2 heterostructures for highly efficient dual-pH hydrogen evolution and overall water splitting
Authors: Chang Pu , Wang Tian , Liu Zongli , Wang Xiaohu , Zhang Jiatong , Xiao Hongfei , Guan Lixiu , Tao Junguang
Published: July 2022

MoS2/CoS2 hetero-nanostructures with an abundant 1T-MoS2 phase are grown on a cobalt-MOF, and they show high HER activity in both alkaline and acidic media. Only 1.53 V is required to drive overall water splitting in alkaline media.
Sustainable management of lead in perovskite solar cells
Authors: Wang Xia , Dong Binghai , Feng Mingjie , Xue Ding-Jiang , Wang Shi-Min
Published: July 2022

A closed-loop management of lead in perovskite solar cells (PSCs) during the device service life and at the end of life is highly essential that determines whether and how this technology can be commercialized.
Phosphorylcholine zwitterionic shell-detachable mixed micelles for enhanced cancerous cellular uptakes and increased DOX release
Authors: Cao Haimei , Lu Qian , Wei Henan , Zhang Shiping
Published: July 2022

A series of mixed zwitterionic micelles were fabricated, which showed enhanced cancerous cellular penetration and increased DOX release due to the protonation of tertiary amine and the breakage of the disulfide bond.
Functionalized luminescent covalent organic frameworks hybrid material as smart nose for the diagnosis of Huanglongbing
Authors: Wang Jinmin , Zhao Limin , Yan Bing
Published: July 2022

Green luminescent imine-based 2D COFs (TtDFP) is designed and synthesized. Hybrid material Eu3+@TtDFP with red luminescence can quantify three VOCs associated with Huanglongbing (devastating disease on citrus) at ppb levels.
Distinguishing cancer cells from normal cells with an organelle-targeted fluorescent marker
Authors: Hao Hao-Chi , Zhang Gang , Wang Ya-Nan , Sun Ru , Xu Yu-Jie , Ge Jian-Feng
Published: July 2022

A cationic hemicyanine dye for distinguishing cancer cells from normal cells.
Crystal engineering of heterocyclic arylene(ethynylene) oligomers through programmed aromatic stacking
Authors: Mullin William J. , Müller Peter , Schaefer Anthony J. , Guzman Elisa , Wheeler Steven E. , Thomas III Samuel W.
Published: July 2022

Electron-rich heteroarenes stack with perfluoroarene side chains and twist arylene-ethynylene conjugated oligomers, while electron deficient heterocycles do not. These trends correlate with X-ray structures, optical spectra, and computations.
A multi-responsive system based on intramolecular B ← OP Lewis acid–base pairs
Authors: Wang Yu , Liu Kanglei , Chen Pangkuan , Yin Xiaodong , Peng Tai , Iqbal Javed , Wang Nan
Published: July 2022

Novel intramolecular B ← OP compounds were synthesized, which can exhibit multi-stimuli responsive properties upon tuning the dynamic B–O bond strength.
Moving direction‐based adaptive task migration in MEC
Authors: Li Yang , Wei Ziling , Su Jinshu
Published: July 2022

Edge computing is expected to be a promising paradigm to provide low‐latency services. Tasks from resource‐limited users can be offloaded to edge servers for efficient execution within a limit time. This innovative technique has attracted widespread attention. Task migration is one of the important problems in mobile edge computing (MEC). Taking vehicle network as an example, during the moving process, a vehicle passes through multiple edge servers and decisions about where to migrate the task need to be made. The moving direction should be emphasized since it directly determines a vehicle's trajectory. Nevertheless, few existing works take the moving direction into consideration. In this paper, task migration issue during the vehicle's mobility process is investigated and the moving direction is specifically considered. The direction helps exclude meaningless selections. The moving process can be formulated as a Markov decision process (MDP) and effort is made to design an adaptive algorithm with direction consideration, aiming at minimizing the total communication time while satisfying the deadline of each task. Based on deep Q network (DQN), we devise a Soft update and parameter Noise applied algorithm DQN‐SN, trying to enlarge action exploration space and stabilize the target network's parameter placement in training process. Besides, with the goal of building credible MEC, a credit‐based scheme is also introduced to establish a trusted edge environment. Extensive experiments are conducted to evaluate the performance of our proposed algorithm. Compared to Greedy algorithm and DQN, the total consumed task communication time of DQN‐SN shows 10–20% reduction. Furthermore, the algorithms with the direction factor always outperform the algorithms without direction consideration.
Highly efficient and wide input range maximum power point tracking circuit with coarse and fine stages for energy harvesting systems
Authors: Dang Van‐Thai , Han Jae‐Soub , Shim Yong , Baek Kwang‐Hyun
Published: July 2022

This letter presents a highly efficient and wide input range maximum power point tracking (MPPT) circuit for energy harvesting systems (EHSs). The conventional MPPT circuit shows attenuation of the power conversion efficiency (PCE) at low input voltages due to insufficient distribution of conversion ratio (CR) in switched capacitor (SC) dc–dc converters. To overcome this critical issue, the proposed circuit implements coarse and fine stages to increase the number of CR. The proposed MPPT operation can be accurately achieved with CR tuning only (without switching frequencies), which results in high PCE. This work is fabricated in the 180‐nm CMOS process and measured with the commercial photovoltaic (PV) cells to demonstrate the advantages of the proposed circuit. The measurement results show that the EHS achieves a flat and improved PCE over a wide input range of 0.4 to 1.6 V. The PCE is as high as 88% for an output power below 50 μW and the active area occupies 1.2 mm2.