bluuebunny/crossref_metadata_2025 huggingface dataset:
A Controlled Experiment of Surface Albedo Modification to Reduce Ice Melt
Authors: Johnson D. , Manzara A. , Field L. A. , Chamberlin D. R. , Sholtz A.
Published: December 2022

Loss of reflectivity in the Arctic and the wider cryosphere is known to increase global temperature rise through an ice‐albedo feedback loop, which has the potential to lead to loss of summertime ice cover in the Arctic Ocean, and to accelerate global warming. Despite the urgency of this situation, there are few options being developed to preserve and restore ice reflectivity. Localized surface albedo modification using reflective materials offers a potential pathway to restore Arctic ice. We conducted a controlled experiment to determine effects of surface albedo modification on ice melt and thermodynamic processes of a pond. We applied a coating of hollow glass microspheres (HGMs) to a test section, while leaving a control section unmodified. Laboratory measurements show that the loading of HGM materials used corresponds to a reflectivity of 30%. We measured ice and snow thickness, albedo, incoming and outgoing shortwave and longwave radiation, and ice, water, and ambient temperatures. A 1‐D thermodynamic model was developed to quantify the effect of albedo modification on the processes of heat transfer, energy absorption and ice melt. The albedo increased from 0.17 on a control section to 0.36 on a test section. During the 2‐week melt period, there was a 29% reduction in net radiative energy into the test section and a 33% reduction of ice melting rate measured by volume. This experiment using quantitative methods elucidates the mechanisms of ice preservation through surface albedo modification and demonstrates its effectiveness.
Ultra‐Low Frequency Waves in the Hermean Magnetosphere: On the Role of the Morphology of the Magnetic Field and the Foreshock
Authors: Kallio E. , Jarvinen R. , Massetti S. , Alberti T. , Milillo A. , Orsini S. , De Angelis E. , Laky G. , Slavin J. , Raines J. M. , Pulkkinen T. I.
Published: December 2022

Ultra‐low frequency (ULF) waves have been observed in the Mercury's magnetosphere by the Mariner 10 and MErcury Surface, Space ENvironment, GEochemistry and Ranging missions. The observed ∼2 s (∼0.6 Hz) period waves in the magnetic field are proposed to be generated by dynamic processes in the Mercury's magnetosphere. We investigate the Hermean ULF waves with a global hybrid model. We found evidence for ∼2‐s circularly polarized right‐handed waves in Mercury's magnetosphere at the closest approach of BepiColombo mission's first Mercury flyby in the model. The most intense wave power occurs on the dawn side closed magnetic field lines. These waves were found to be generated on the hemisphere which is magnetically directly connected to the interplanetary magnetic field on the dayside and to the foreshock region. It is therefore possible that the generation mechanism of these waves is associated with the precipitating ion flux or with the wave activity in the foreshock region.
Dusk‐Dawn Asymmetries in SuperDARN Convection Maps
Authors: Walach M.‐T. , Grocott A. , Thomas E. G. , Staples F.
Published: December 2022

The Super Dual Auroral Radar Network (SuperDARN) is a collection of radars built to study ionospheric convection. We use a 7‐year archive of SuperDARN convection maps, processed in 3 different ways, to build a statistical understanding of dusk‐dawn asymmetries in the convection patterns. We find that the data set processing alone can introduce a bias which manifests itself in dusk‐dawn asymmetries. We find that the solar wind clock angle affects the balance in the strength of the convection cells. We further find that the location of the positive potential foci is most likely observed at latitudes of 78° for long periods (>300 min) of southward interplanetary magnetic field (IMF), as opposed to 74° for short periods (<20 min) of steady IMF. For long steady dawnward IMF the median is also at 78°. For long steady periods of duskward IMF, the positive potential foci tends to be at lower latitudes than the negative potential and vice versa during dawnward IMF. For long periods of steady Northward IMF, the positive and negative cells can swap sides in the convection pattern. We find that they move from ∼0–9 MLT to 15 MLT or ∼15–23 MLT to 10 MLT, which reduces asymmetry in the average convection cell locations for Northward IMF. We also investigate the width of the region in which the convection returns to the dayside, the return flow width. Asymmetries in this are not obvious, until we select by solar wind conditions, when the return flow region is widest for the negative convection cell during Southward IMF.
Understanding Model‐Observation Discrepancies in Satellite Retrievals of Atmospheric Temperature Using GISS ModelE
Authors: Casas Madeline C. , Schmidt Gavin A. , Miller Ron. L. , Orbe Clara , Tsigaridis Kostas , Nazarenko Larissa S. , Bauer Susanne E. , Shindell Drew T.
Published: December 2022

We examine multiple factors in the representation of satellite‐retrieved atmospheric temperature diagnostics in historical simulations of climate change during the satellite era (specifically 1979–2021) using GISS ModelE contributions to the Coupled Model Intercomparison Project (Phase 6) (CMIP6). The tropospheric and stratospheric trends in these diagnostics are affected by greenhouse gases (notably carbon dioxide and ozone), coupling with the ocean, volcanic aerosols, solar activity and compositional and dynamic feedbacks. We explore the impacts of internal variability, changing forcing specifications, composition interactivity, the quality of the stratospheric circulation, vertical resolution, and possible impacts of the mis‐specification of volcanic aerosol optical depths. Overall temperature trends throughout the satellite period are well captured, but discrepancies at all levels exist and have multiple distinct causes. We find that stratospheric comparisons (using Stratospheric Sounding Unit (SSU) retrievals and successor instruments) are most affected by variations in the representation of ozone depletion and feedbacks, followed by the volcanic signals. Tropospheric skill (using the Microwave Sounding Unit (MSU) retrievals) is affected by the trends in ocean heat uptake and tropospheric aerosols, but also by the representation of stratospheric processes through the impact of the Brewer‐Dobson circulation on the height of the tropical tropopause. We demonstrate that no single factor is the dominant cause of the discrepancies and that almost all observations lie within the broad envelope of structural uncertainty.
Disentangling the roles of dopamine and noradrenaline in the exploration-exploitation tradeoff during human decision-making
Authors: Cremer Anna , Kalbe Felix , Müller Jana Christina , Wiedemann Klaus , Schwabe Lars
Published: December 2022

Balancing the exploration of new options and the exploitation of known options is a fundamental challenge in decision-making, yet the mechanisms involved in this balance are not fully understood. Here, we aimed to elucidate the distinct roles of dopamine and noradrenaline in the exploration-exploitation tradeoff during human choice. To this end, we used a double-blind, placebo-controlled design in which participants received either a placebo, 400 mg of the D2/D3 receptor antagonist amisulpride, or 40 mg of the β-adrenergic receptor antagonist propranolol before they completed a virtual patch-foraging task probing exploration and exploitation. We systematically varied the rewards associated with choice options, the rate by which rewards decreased over time, and the opportunity costs it took to switch to the next option to disentangle the contributions of dopamine and noradrenaline to specific choice aspects. Our data show that amisulpride increased the sensitivity to all of these three critical choice features, whereas propranolol was associated with a reduced tendency to use value information. Our findings provide novel insights into the specific roles of dopamine and noradrenaline in the regulation of human choice behavior, suggesting a critical involvement of dopamine in directed exploration and a role of noradrenaline in more random exploration.
Silent gene clusters encode magnetic organelle biosynthesis in a non-magnetotactic phototrophic bacterium
Authors: Dziuba M V , Paulus A , Schramm L , Awal R P , Pósfai M , Monteil C L , Fouteau S , Uebe R , Schüler D
Published: December 2022

Horizontal gene transfer is a powerful source of innovations in prokaryotes that can affect almost any cellular system, including microbial organelles. The formation of magnetosomes, one of the most sophisticated microbial mineral-containing organelles synthesized by magnetotactic bacteria for magnetic navigation in the environment, was also shown to be a horizontally transferrable trait. However, the mechanisms determining the fate of such genes in new hosts are not well understood, since non-adaptive gene acquisitions are typically rapidly lost and become unavailable for observation. This likely explains why gene clusters encoding magnetosome biosynthesis have never been observed in non-magnetotactic bacteria. Here, we report the first discovery of a horizontally inherited dormant gene clusters encoding biosynthesis of magnetosomes in a non-magnetotactic phototrophic bacterium Rhodovastum atsumiense. We show that these clusters were inactivated through transcriptional silencing and antisense RNA regulation, but retain functionality, as several genes were able to complement the orthologous deletions in a remotely related magnetotactic bacterium. The laboratory transfer of foreign magnetosome genes to R. atsumiense was found to endow the strain with magnetosome biosynthesis, but strong negative selection led to rapid loss of this trait upon subcultivation, highlighting the trait instability in this organism. Our results provide insight into the horizontal dissemination of gene clusters encoding complex prokaryotic organelles and illuminate the potential mechanisms of their genomic preservation in a dormant state.
3D-FVS: construction and application of three-dimensional fundus vascular structure model based on single image features
Authors: Yao Zhaomin , Luo Renli , Xing Chencong , Li Fei , Zhu Gancheng , Wang Zhiguo , Zhang Guoxu
Published: December 2022

Background

Fundus microvasculature may be visually observed by ophthalmoscope and has been widely used in clinical practice. Due to the limitations of available equipment and technology, most studies only utilized the two-dimensional planar features of the fundus microvasculature.

Methods

This study proposed a novel method for establishing the three-dimensional fundus vascular structure model and generating hemodynamic characteristics based on a single image. Firstly, the fundus vascular are segmented through our proposed network framework. Then, the length and width of vascular segments and the relationship among the adjacent segments are collected to construct the three-dimensional vascular structure model. Finally, the hemodynamic model is generated based on the vascular structure model, and highly correlated hemodynamic features are selected to diagnose the ophthalmic diseases.

Results

In fundus vascular segmentation, the proposed network framework obtained 98.63% and 97.52% on Area Under Curve (AUC) and accuracy respectively. In diagnosis, the high correlation features extracted based on the proposed method achieved 95% on accuracy.

Conclusions

This study demonstrated that hemodynamic features filtered by relevance were essential for diagnosing retinal diseases. Additionally, the method proposed also outperformed the existing models on the levels of retina vessel segmentation. In conclusion, the proposed method may represent a novel way to diagnose retinal related diseases, which can analysis two-dimensional fundus pictures by extracting heterogeneous three-dimensional features.
Building cloud computing environments for genome analysis in Japan
Authors: Ogasawara Osamu
Published: December 2022

This review article describes the current status of data archiving and computational infrastructure in the field of genomic medicine, focusing primarily on the situation in Japan. I begin by introducing the status of supercomputer operations in Japan, where a high-performance computing infrastructure (HPCI) is operated to meet the diverse computational needs of science in general. Since this HPCI consists of supercomputers of various architectures located across the nation connected via a high-speed network, including supercomputers specialized in genome science, the status of its response to the explosive increase in genomic data, including the International Nucleotide Sequence Database Collaboration (INSDC) data archive, is explored. Separately, since it is clear that the use of commercial cloud computing environments needs to be promoted, both in light of the rapid increase in computing demands and to support international data sharing and international data analysis projects, I explain how the Japanese government has established a series of guidelines for the use of cloud computing based on its cybersecurity strategy and has begun to build a government cloud for government agencies. I will also carefully consider several other issues of user concern. Finally, I will show how Japan’s major cloud computing infrastructure is currently evolving toward a multicloud and hybrid cloud configuration.
Schooling substantially improves intelligence, but neither lessens nor widens the impacts of socioeconomics and genetics
Authors: Judd Nicholas , Sauce Bruno , Klingberg Torkel
Published: December 2022

Schooling, socioeconomic status (SES), and genetics all impact intelligence. However, it is unclear to what extent their contributions are unique and if they interact. Here we used a multi-trait polygenic score for cognition (cogPGS) with a quasi-experimental regression discontinuity design to isolate how months of schooling relate to intelligence in 6567 children (aged 9–11). We found large, independent effects of schooling (β ~ 0.15), cogPGS (β ~ 0.10), and SES (β ~ 0.20) on working memory, crystallized (cIQ), and fluid intelligence (fIQ). Notably, two years of schooling had a larger effect on intelligence than the lifetime consequences, since birth, of SES or cogPGS-based inequalities. However, schooling showed no interaction with cogPGS or SES for the three intelligence domains tested. While schooling had strong main effects on intelligence, it did not lessen, nor widen the impact of these preexisting SES or genetic factors.
Understanding India’s low-carbon energy technology startup landscape
Authors: Krishna Harilal , Kashyap Yash , Dutt Dwarkeshwar , Sagar Ambuj D. , Malhotra Abhishek
Published: December 2022

Low-carbon energy technology (LCET) startups could play a key role in accelerating India’s decarbonization. Yet, our understanding of the LCET startup landscape and what shapes it remains low. Here we provide an analysis of the Indian LCET startup landscape to fill this gap. Our descriptive analysis of quantitative data on investment and patenting activities of LCET startups from 2010 to 2020 and qualitative data from 25 semi-structured interviews shows a substantial increase in investment and patenting activity, particularly after 2017, driven in large part by market-creation measures undertaken by the Indian government. However, there are large differences between LCET startups in different sub-sectors and core value-creating activities. Our findings suggest that the level of technological capabilities moderates the relationship between market-creation measures and innovation outcomes—thus highlighting the need to complement market-creation policies with long-term measures to strengthen technological capabilities. Furthermore, we propose a research agenda to improve our understanding of LCET entrepreneurship in developing economies.
Mixing dynamics at river confluences governed by intermodal behaviour
Authors: Sukhodolov A. N. , Shumilova O. O. , Constantinescu G. S. , Lewis Q. W. , Rhoads B. L.
Published: December 2022

The extent to which flows mix at confluences is pivotal for determining spatial patterns of water quality and biodiversity. Because mixing processes are complex, predicting rates and characteristic scales of mixing is difficult. Here we introduce a theory for confluence mixing dynamics of shallow flows in which the mixing process is controlled by the switching between two modes of behaviour—one similar to a wake behind an obstacle and the other similar to a mixing layer between two parallel flows. Dye visualizations of mixing in field-based controlled experiments agree with theoretical predictions and support transitional behaviour between the two mixing modes. According to our theoretical framework, the mixing interface can grow rapidly in wake mode, when large vortices are shed from a zone of stagnant flow within the confluence, but lateral shear between incoming flows is negligible. This rapid growth occurs even though flow curvature and shallowness inhibit growth through advective and turbulent lateral exchange of momentum and through bed friction. Our findings provide insight into the importance of different modalities of flow structure in controlling mixing at river confluences, thereby contributing to practical knowledge on the role of confluences in dispersal of contaminants in river systems.
Uniform thin ice on ultraflat graphene for high-resolution cryo-EM
Authors: Zheng Liming , Liu Nan , Gao Xiaoyin , Zhu Wenqing , Liu Kun , Wu Cang , Yan Rui , Zhang Jincan , Gao Xin , Yao Yating , Deng Bing , Xu Jie , Lu Ye , Liu Zhongmin , Li Mengsen , Wei Xiaoding , Wang Hong-Wei , Peng Hailin
Published: December 2022

Cryo-electron microscopy (cryo-EM) visualizes the atomic structure of macromolecules that are embedded in vitrified thin ice at their close-to-native state. However, the homogeneity of ice thickness, a key factor to ensure high image quality, is poorly controlled during specimen preparation and has become one of the main challenges for high-resolution cryo-EM. Here we found that the uniformity of thin ice relies on the surface flatness of the supporting film, and developed a method to use ultraflat graphene (UFG) as the support for cryo-EM specimen preparation to achieve better control of vitreous ice thickness. We show that the uniform thin ice on UFG improves the image quality of vitrified specimens. Using such a method we successfully determined the three-dimensional structures of hemoglobin (64 kDa), α-fetoprotein (67 kDa) with no symmetry, and streptavidin (52 kDa) at a resolution of 3.5 Å, 2.6 Å and 2.2 Å, respectively. Furthermore, our results demonstrate the potential of UFG for the fields of cryo-electron tomography and structure-based drug discovery.
The LUMIERE dataset: Longitudinal Glioblastoma MRI with expert RANO evaluation
Authors: Suter Yannick , Knecht Urspeter , Valenzuela Waldo , Notter Michelle , Hewer Ekkehard , Schucht Philippe , Wiest Roland , Reyes Mauricio
Published: December 2022

Publicly available Glioblastoma (GBM) datasets predominantly include pre-operative Magnetic Resonance Imaging (MRI) or contain few follow-up images for each patient. Access to fully longitudinal datasets is critical to advance the refinement of treatment response assessment. We release a single-center longitudinal GBM MRI dataset with expert ratings of selected follow-up studies according to the response assessment in neuro-oncology criteria (RANO). The expert rating includes details about the rationale of the ratings. For a subset of patients, we provide pathology information regarding methylation of the O6-methylguanine-DNA methyltransferase (MGMT) promoter status and isocitrate dehydrogenase 1 (IDH1), as well as the overall survival time. The data includes T1-weighted pre- and post-contrast, T2-weighted, and fluid-attenuated inversion recovery (FLAIR) MRI. Segmentations from state-of-the-art automated segmentation tools, as well as radiomic features, complement the data. Possible applications of this dataset are radiomics research, the development and validation of automated segmentation methods, and studies on response assessment. This collection includes MRI data of 91 GBM patients with a total of 638 study dates and 2487 images.
A Brazilian classified data set for prognosis of tuberculosis, between January 2001 and April 2020
Authors: Lino Ferreira da Silva Barros Maicon Herverton , Santos Guto Leoni , de Almeida Rodrigues Maria Gabriela , Sampaio Vanderson , Lynn Theo , Endo Patricia Takako
Published: December 2022

After COVID-19, tuberculosis (TB) is the leading cause of death by an infectious disease in the world. This work presents a data set based on data collected from the Brazilian Information System for Notifiable Diseases (SINAN) for the period from January 2001 to April 2020 relating to patients diagnosed with tuberculosis in Brazil. The data from SINAN was pre-processed to generate a new data set with two distinct treatment outcome classes: CURED and DIED. The data set comprises 37 categorical attributes (including socio-demographic, clinical, and laboratory data) as well as the target class. There are 927,909 records of patients classified as CURED and 36,190 classified as DIED, totaling 964,099 records.
Chloroplast genome assemblies and comparative analyses of commercially important Vaccinium berry crops
Authors: Fahrenkrog Annette M. , Matsumoto Gabriel O. , Toth Katalin , Jokipii-Lukkari Soile , Salo Heikki M. , Häggman Hely , Benevenuto Juliana , Munoz Patricio R.
Published: December 2022

Vaccinium is a large genus of shrubs that includes a handful of economically important berry crops. Given the numerous hybridizations and polyploidization events, the taxonomy of this genus has remained the subject of long debate. In addition, berries and berry-based products are liable to adulteration, either fraudulent or unintentional due to misidentification of species. The availability of more genomic information could help achieve higher phylogenetic resolution for the genus, provide molecular markers for berry crops identification, and a framework for efficient genetic engineering of chloroplasts. Therefore, in this study we assembled five Vaccinium chloroplast sequences representing the economically relevant berry types: northern highbush blueberry (V. corymbosum), southern highbush blueberry (V. corymbosum hybrids), rabbiteye blueberry (V. virgatum), lowbush blueberry (V. angustifolium), and bilberry (V. myrtillus). Comparative analyses showed that the Vaccinium chloroplast genomes exhibited an overall highly conserved synteny and sequence identity among them. Polymorphic regions included the expansion/contraction of inverted repeats, gene copy number variation, simple sequence repeats, indels, and single nucleotide polymorphisms. Based on their in silico discrimination power, we suggested variants that could be developed into molecular markers for berry crops identification. Phylogenetic analysis revealed multiple origins of highbush blueberry plastomes, likely due to the hybridization events that occurred during northern and southern highbush blueberry domestication.
Effect of weekend catch-up sleep on high-sensitivity C-reactive protein levels according to bedtime inconsistency: a population-based cross-sectional study
Authors: Park Soyoung , Kang Dong Yoon , Ahn Hyungwoo , Kim Namwoo , Yoon Jeong-Hwa , Yang Bo Ram
Published: December 2022

To investigate the associations of weekend catch-up sleep (WCS) and high-sensitivity C-reactive protein (hs-CRP) levels according to bedtime inconsistency in the Korean population. In this cross-sectional study using the Korea National Health and Nutrition Examination Survey (2016–2018) with 17,665 participants, four groups were defined: no-WCS (WCS within ± 1 h of weekday sleep time), moderate WCS (1 ≤ , < 3 h), severe WCS (≥ 3 h), and inverse WCS (≤ − 1 h). An inconsistent bedtime was defined as a > 2 h difference between weekend and weekday bedtimes. Outcomes were divided into quartiles based on the hs-CRP level: Lowest (< 0.34), Middle-low (≥ 0.34, < 0.55), Middle-high (≥ 0.55, < 1.10), Highest (≥ 1.10). Adjusted odds ratios (aORs) with 95% confidence intervals (CIs) were calculated using multinomial logistic regression, controlling for relevant covariates. Moderate WCS was associated with a lower risk for the highest hs-CRP levels than no WCS (aOR = 0.87, 95% CI 0.78–0.97), and a similar association was observed only in participants with consistent bedtimes (aOR = 0.88, 95% CI 0.78–0.99). Significant interactions of those associations of WCS and hs-CRP levels with bedtime inconsistency were found. These findings provide evidence that people with inconsistent bedtimes would have limited protective effect of WCS on hs-CRP.
Visual outcomes, spectacle independence, and patient satisfaction of pseudophakic mini-monovision using a new monofocal intraocular lens
Authors: Park Ella SeoYeon , Ahn Hyunmin , Han Sung Uk , Jun Ikhyun , Seo Kyoung Yul , Kim Eung Kweon , Kim Tae-im
Published: December 2022

Modified monovision—or “mini-monovision”—is an alternative method to multifocal intraocular lenses (IOLs) for treating presbyopia. This study aimed to evaluate the clinical outcomes of patients bilaterally implanted with the new enhanced monofocal Tecnis Eyhance (ICB00) IOLs with the mini-monovision technique to improve near vision. In this retrospective case series, the medical records of 50 patients (100 eyes) who underwent bilateral cataract surgery were reviewed. Patients were divided into the Emmetropia and Mini-monovision groups based on the postoperative spherical equivalent and residual myopia. The binocular visual acuity for far (4 m), intermediate (66 cm), and near (40 cm) distances, binocular defocus curves, contrast sensitivity, visual symptoms, spectacle independence, and patient satisfaction rates were evaluated at 3 months postoperatively. The binocular uncorrected distance and intermediate visual acuities, contrast sensitivity, incidence of photic phenomena, and patient satisfaction were not significantly different between the two groups (p > 0.05). However, the binocular uncorrected near visual acuities and spectacle independence rates were significantly better in the Mini-monovision group (p < 0.001). Conclusively, the pseudophakic mini-monovision technique using enhanced monofocal IOLs may be a promising option for presbyopia correction in patients unsuitable for multifocal IOLs.
Baseline gene expression profiling determines long-term benefit to programmed cell death protein 1 axis blockade
Authors: Vathiotis Ioannis A. , Salichos Leonidas , Martinez-Morilla Sandra , Gavrielatou Niki , Aung Thazin Nwe , Shafi Saba , Wong Pok Fai , Jessel Shlomit , Kluger Harriet M. , Syrigos Konstantinos N. , Warren Sarah , Gerstein Mark , Rimm David L.
Published: December 2022

Treatment with immune checkpoint inhibitors has altered the course of malignant melanoma, with approximately half of the patients with advanced disease surviving for more than 5 years after diagnosis. Currently, there are no biomarker methods for predicting outcome from immunotherapy. Here, we obtained transcriptomic information from a total of 105 baseline tumor samples comprising two cohorts of patients with advanced melanoma treated with programmed cell death protein 1 (PD-1)-based immunotherapies. Gene expression profiles were correlated with progression-free survival (PFS) within consecutive clinical benefit intervals (i.e., 6, 12, 18, and 24 months). Elastic net binomial regression models with cross validation were utilized to compare the predictive value of distinct genes across time. Lasso regression was used to generate a signature predicting long-term benefit (LTB), defined as patients who remain alive and free of disease progression at 24 months post treatment initiation. We show that baseline gene expression profiles were consistently able to predict long-term immunotherapy outcomes with high accuracy. The predictive value of different genes fluctuated across consecutive clinical benefit intervals, with a distinct set of genes defining benefit at 24 months compared to earlier outcomes. A 12-gene signature was able to predict LTB following anti-PD-1 therapy with an area under the curve (AUC) equal to 0.92 and 0.74 in the training and validation set, respectively. Evaluation of LTB, via a unique signature may complement objective response classification and characterize the logistics of sustained antitumor immune responses.
Smartphone accelerometer data as a proxy for clinical data in modeling of bipolar disorder symptom trajectory
Authors: Bennett Casey C. , Ross Mindy K. , Baek EuGene , Kim Dohyeon , Leow Alex D.
Published: December 2022

Being able to track and predict fluctuations in symptoms of mental health disorders such as bipolar disorder outside the clinic walls is critical for expanding access to care for the global population. To that end, we analyze a dataset of 291 individuals from a smartphone app targeted at bipolar disorder, which contains rich details about their smartphone interactions (including typing dynamics and accelerometer motion) collected everyday over several months, along with more traditional clinical features. The aim is to evaluate whether smartphone accelerometer data could serve as a proxy for traditional clinical data, either by itself or in combination with typing dynamics. Results show that accelerometer data improves the predictive performance of machine learning models by nearly 5% over those previously reported in the literature based only on clinical data and typing dynamics. This suggests it is possible to elicit essentially the same “information” about bipolar symptomology using different data sources, in a variety of settings.
Self-assembled endogenous DNA nanoparticles for auto-release and expression of the eGFP gene in Bacillus subtilis
Authors: Cao Linfeng , Meng Ziwen , Tan Junjie , Ying Ming , Bi Meiying , Liu Yanjun , Tong Xinrui , Wei Jiaxun , Huang Lei
Published: December 2022

The development of DNA delivery techniques is critical to promote the wider use of deoxyribonucleic acids as cellular transporters. The present study aimed to develop a type of DNA nanoparticle (citZ-box) to automatically load and release cargo. The restriction enzyme can cleave citZ-boxes at pro-designed sites, and the enhanced green fluorescent protein gene (eGFP) can be delivered into the B. subtilis protoplasts by them. The process of eGFP expression is recorded using a confocal microscope over 4 h. Here, multiscaffold and multimodular designs are used for citZ-box assembly with a DAEDALUS module, DX_cage_design and rem (edge_length, 21), to ensure the structure was predicted as B-type DNA. Finally the citZ-box is estimated to be a 50.7 nm cube. The 3D structure of the citZ-box particle is detected to be approximately 50.3 ± 0.3 nm. DNA nanoparticles prepared as citZ-boxes have great potential as drug carriers with automatic loading and releasing abilities.
CryoEM structures of anion exchanger 1 capture multiple states of inward- and outward-facing conformations
Authors: Zhekova Hristina R. , Jiang Jiansen , Wang Weiguang , Tsirulnikov Kirill , Kayık Gülru , Khan Hanif Muhammad , Azimov Rustam , Abuladze Natalia , Kao Liyo , Newman Debbie , Noskov Sergei Yu. , Tieleman D. Peter , Hong Zhou Z. , Pushkin Alexander , Kurtz Ira
Published: December 2022

Anion exchanger 1 (AE1, band 3) is a major membrane protein of red blood cells and plays a key role in acid-base homeostasis, urine acidification, red blood cell shape regulation, and removal of carbon dioxide during respiration. Though structures of the transmembrane domain (TMD) of three SLC4 transporters, including AE1, have been resolved previously in their outward-facing (OF) state, no mammalian SLC4 structure has been reported in the inward-facing (IF) conformation. Here we present the cryoEM structures of full-length bovine AE1 with its TMD captured in both IF and OF conformations. Remarkably, both IF-IF homodimers and IF-OF heterodimers were detected. The IF structures feature downward movement in the core domain with significant unexpected elongation of TM11. Molecular modeling and structure guided mutagenesis confirmed the functional significance of residues involved in TM11 elongation. Our data provide direct evidence for an elevator-like mechanism of ion transport by an SLC4 family member.
Neural complexity is a common denominator of human consciousness across diverse regimes of cortical dynamics
Authors: Frohlich Joel , Chiang Jeffrey N. , Mediano Pedro A. M. , Nespeca Mark , Saravanapandian Vidya , Toker Daniel , Dell’Italia John , Hipp Joerg F. , Jeste Shafali S. , Chu Catherine J. , Bird Lynne M. , Monti Martin M.
Published: December 2022

What is the common denominator of consciousness across divergent regimes of cortical dynamics? Does consciousness show itself in decibels or in bits? To address these questions, we introduce a testbed for evaluating electroencephalogram (EEG) biomarkers of consciousness using dissociations between neural oscillations and consciousness caused by rare genetic disorders. Children with Angelman syndrome (AS) exhibit sleep-like neural dynamics during wakefulness. Conversely, children with duplication 15q11.2-13.1 syndrome (Dup15q) exhibit wake-like neural dynamics during non-rapid eye movement (NREM) sleep. To identify highly generalizable biomarkers of consciousness, we trained regularized logistic regression classifiers on EEG data from wakefulness and NREM sleep in children with AS using both entropy measures of neural complexity and spectral (i.e., neural oscillatory) EEG features. For each set of features, we then validated these classifiers using EEG from neurotypical (NT) children and abnormal EEGs from children with Dup15q. Our results show that the classification performance of entropy-based EEG biomarkers of conscious state is not upper-bounded by that of spectral EEG features, which are outperformed by entropy features. Entropy-based biomarkers of consciousness may thus be highly adaptable and should be investigated further in situations where spectral EEG features have shown limited success, such as detecting covert consciousness or anesthesia awareness.
Spatial analysis of aquatic food access can inform nutrition-sensitive policy
Authors: Bennett Abigail , Rice Emma , Muhonda Park , Kaunda Emmanuel , Katengeza Sam , Liverpool-Tasie Lenis Saweda O. , Belton Ben , Infante Dana M. , Ross Jared , Virdin John , Gondwe Edith
Published: December 2022

Aquatic foods are critical for food and nutrition security in Malawi, but it is unclear which populations benefit from different aquatic foods and what factors shape food access. Spatial analysis of food flows across value chains from Lake Malawi to domestic consumers shows that usipa (Engraulicypris sardella) reaches more consumers than chambo (Oreochromis karongae) across all Malawi districts, particularly rural populations. Higher number of markets, nutrient content, and overall supply coupled with lower retail prices and volumes make usipa more accessible to consumers than chambo. Spatial analysis of food flows can guide policymakers towards supporting fisheries that reach vulnerable populations and designing interventions that enhance physical and economic access to fish.
Theory of holey twistsonic media
Authors: López María Rosendo , Zhang Zhiwang , Torrent Daniel , Christensen Johan
Published: December 2022

Rotating two overlapping lattices relative to each other produces the well known moiré interference patterns and has surprisingly led to strongly correlated superconductivity in twisted bilayer graphene. This seminal effect that is associated with electrons occupying flat dispersion bands has stimulated a surge of activities in classical wave physics such as acoustics to explore equivalent scenarios. Here, we mimic twisted bilayer physics by employing a rigorous sound wave expansion technique to conduct band engineering in holey bilayer plates, i.e., twistsonic media. Our numerical findings show how one flexibly is able to design moiré sound interference characteristics that alone are controlled by the twist angle and the interlayer air separation. More specifically, our numerical approach provides a significant advantage in both computational speed and storage size in comparison with widely used commercial finite-element-method solvers. We foresee that our findings should stimulate further studies in terms of band engineering and exotic topological twisted phases.
Robust estimates for the decadal evolution of Agulhas leakage from the 1960s to the 2010s
Authors: Rühs Siren , Schmidt Christina , Schubert René , Schulzki Tobias G. , Schwarzkopf Franziska U. , Le Bars Dewi , Biastoch Arne
Published: December 2022

Agulhas leakage, the transport of warm and salty waters from the Indian Ocean into the South Atlantic, has been suggested to increase under anthropogenic climate change, due to strengthening Southern Hemisphere westerly winds. The resulting enhanced salt transport into the South Atlantic may counteract the projected weakening of the Atlantic overturning circulation through warming and ice melting. Here we combine existing and new observation- and model-based Agulhas leakage estimates to robustly quantify its decadal evolution since the 1960s. We find that Agulhas leakage very likely increased between the mid-1960s and mid-1980s, in agreement with strengthening winds. Our models further suggest that increased leakage was related to enhanced transport outside eddies and coincided with strengthened Atlantic overturning circulation. Yet, it appears unlikely that Agulhas leakage substantially increased since the 1990s, despite continuously strengthening winds. Our results stress the need to better understand decadal leakage variability to detect and predict anthropogenic trends.
Fast multi-source nanophotonic simulations using augmented partial factorization
Authors: Lin Ho-Chun , Wang Zeyu , Hsu Chia Wei
Published: December 2022

Numerical solutions of Maxwell’s equations are indispensable for nanophotonics and electromagnetics but are constrained when it comes to large systems, especially multi-channel ones such as disordered media, aperiodic metasurfaces and densely packed photonic circuits where the many inputs require many large-scale simulations. Conventionally, before extracting the quantities of interest, Maxwell’s equations are first solved on every element of a discretization basis set that contains much more information than is typically needed. Furthermore, such simulations are often performed one input at a time, which can be slow and repetitive. Here we propose to bypass the full-basis solutions and directly compute the quantities of interest while also eliminating the repetition over inputs. We do so by augmenting the Maxwell operator with all the input source profiles and all the output projection profiles, followed by a single partial factorization that yields the entire generalized scattering matrix via the Schur complement, with no approximation beyond discretization. This method applies to any linear partial differential equation. Benchmarks show that this approach is 1,000–30,000,000 times faster than existing methods for two-dimensional systems with about 10,000,000 variables. As examples, we demonstrate simulations of entangled photon backscattering from disorder and high-numerical-aperture metalenses that are thousands of wavelengths wide.
Emerging approaches to CDK inhibitor development, a structural perspective
Authors: Hope Ian , Endicott Jane A. , Watt Jessica E.
Published: December 2022

This review summarises recent developments in structural characterisation of CDKs and alternative non-ATP competitive ways to inhibit them.
Multi-scale computational investigation of Ag-doped two-dimensional Zn-based MOFs for storage and release of small NO and CO bioactive molecules
Authors: Naderlou Shabnam , Vahedpour Morteza , Franz Douglas M.
Published: December 2022

Strong dependence of the structural and dynamical properties of NO and CO on Ag-doped 2D-MOF. Effective adsorption of gas molecules on the two-sided Ag-doped benzene ring. Increasing the adsorption capacities of small gases in Ag-(Zn)-MOF.
Self-isomerization of nearly planar superatoms formed by actinide embedded gold clusters
Authors: Liu Zheng , Gao Yang , Yu Famin , Liu Zhonghua , Li Jiarui , Zhang Rui-Qin , Xue Yan , Wang Zhigang
Published: December 2022

Self-isomerization, a special isomerization commonly found in systems with symmetry planes, is generally easy to occur without breaking chemical bonds and has important implications for the electronic structures and optical spectra.
Accurately predicting solvation free energy in aqueous and organic solvents beyond 298 K by combining deep learning and the 1D reference interaction site model
Authors: Fowles Daniel J. , McHardy Rose G. , Ahmad Abdullah , Palmer David S.
Published: December 2022

pyRISM combines physics-based calculations and deep learning to rapidly predict solvation free energy in different solvents and temperatures without reparameterization.
An MCM-41-immobilized dichloro(pyridine-2-carboxylato)gold(iii) complex: an efficient and recyclable catalyst for the annulation of anthranils and ynamides
Authors: Xu Zhaohui , Zeng Jiajun , Cai Mingzhong
Published: December 2022

Heterogeneous gold(iii)-catalyzed annulation of anthranils and ynamides towards formylindoles using an MCM-41-anchored dichloro(pyridine-2-carboxylato)gold(iii) complex [MCM-41-PicAuCl2] as a recyclable catalyst is described.
Overcoming the lack of authentic standards for the quantification of biogenic secondary organic aerosol markers
Authors: Bryant Daniel J. , Mayhew Alfred W. , Pereira Kelly L. , Budisulistiorini Sri Hapsari , Prior Connor , Unsworth William , Topping David O. , Rickard Andrew R. , Hamilton Jacqueline F.
Published: December 2022

Liquid chromatography coupled to electrospray ionisation high resolution mass spectrometry is an extremely powerful technique for both targeted and non-targeted analysis of organic aerosol.
Recombinatorial approach for the formation of surface-functionalised alkaline-stable lignin nanoparticles and adhesives
Authors: Ferruti Federica , Pylypchuk Ievgen , Zoia Luca , Lange Heiko , Orlandi Marco , Moreno Adrian , Sipponen Mika H.
Published: December 2022

Fractionate, selectively epoxidize, and recombine. Alkaline resistant lignin nanoparticles and competitive particle adhesives are achieved in a material-efficient manner, i.e., without significant waste generation from the lignin raw material.
Quantitative fluoride imaging of teeth using CaF emission by laser induced breakdown spectroscopy
Authors: Martinez Mauro , Harry G. Jean , Haynes Erin N. , Lin Pi-I. D. , Oken Emily , Horton Megan K. , Wright Robert O. , Arora Manish , Austin Christine
Published: December 2022

In this work, we propose the use of molecular emission of calcium fluoride (CaF) by laser induced breakdown spectroscopy (LIBS) to obtain quantitative fluoride distribution images of teeth.
Multiplexed analysis of signalling proteins at the single-immune cell level
Authors: Dietsche Claudius L. , Hirth Elisabeth , Dittrich Petra S.
Published: December 2022

We analyse signalling factors secreted by single polarized macrophages. This is achieved by using a microfluidic device with microchamber arrays for co-capturing cells in hydrodynamic traps and functionalized beads in magnetic traps.
Insulative wood materials templated by wet foams
Authors: Ferreira Elisa S. , Dobrzanski Elizabeth , Tiwary Praphulla , Agrawal Prashant , Chen Richard , Cranston Emily D.
Published: December 2022

Insulative materials from forest residues prepared by oven-drying.
4f → 3d sensitization: a luminescent EuII–MnII heteronuclear complex with a near-unity quantum yield
Authors: Yu Gang , Liu Huanyu , Yan Wenchao , Guo Ruoyao , Wu Aoben , Zhao Zifeng , Liu Zhiwei , Bian Zuqiang
Published: December 2022

A new heteronuclear EuII–MnII complex with high photoluminescence quantum yield is designed and synthesized, which represents the first example of f → d molecular sensitization.
Strain engineering of electrocatalysts for hydrogen evolution reaction
Authors: Mao Xinyuan , Qin Zhuhui , Ge Shundong , Rong Chao , Zhang Bowei , Xuan Fuzhen
Published: December 2022

As the key half reaction of water-splitting electrolysis, the hydrogen evolution reaction (HER) that occurs at the cathode directly determines the overall efficiency of hydrogen production.
Effect of molybdenum doping on the catalytic activity of VS2/CNT for the oxygen reduction reaction in alkaline media
Authors: Moradbeigi Nasrin , Bahari Ali , Ghasemi Shahram
Published: December 2022

This study shows that chemical doping is a promising technique to improve the electrocatalytic activity of TMDs. The Mo-VS2-15/CNT/GCE catalyst with significant ORR activity could be an excellent alternative for platinum.
Simple synthesis and photoelectric properties of Cu2Te nanotubes
Authors: Xu Yonghong , Wang Xinqing , Bi Yanyu , Zhang Linhui , Zhong Binnian
Published: December 2022

We report a simple method for the synthesis of Cu2Te NTs under mild conditions without surfactant. The product has good crystallinity and uniform size. The photoelectric response time is significantly faster than that reported in previous studies for other tellurides.
Two different pore architectures of cyamelurate-based metal–organic frameworks for highly selective CO2 capture under ambient conditions
Authors: Essalhi Mohamed , Mohan Midhun , Dissem Nour , Ferhi Najmedinne , Abidi Adela , Maris Thierry , Duong Adam
Published: December 2022

Tailoring pore size and surface chemistry of MOFs for efficient CO2 capture and separation.
Plasmonic enhanced photocatalytic activity of Ag/TiO2 tube-in-tube fibers
Authors: Zhang Siyuan , Sun Zewen , Zhou Yue , Chen Wenshu , Wu Qianhui , Sun Jianhua , Lang Leiming
Published: December 2022

Ag nanoparticle was found to significantly enhance the photocatalytic activity of self-organized TiO2 nanotube structures.
An electron “donor–acceptor–donor” strategy to activate ZIF-67 as a cathode material for fuel cells and zinc ion hybrid supercapacitor
Authors: Mane Rupali S. , Pradhan Sayli , Somkuwar Vaishnavi , Bhattacharyya Rama , Ghosh Prakash C. , Jha Neetu
Published: December 2022

Rational design of non-precious and efficient electrocatalysts for oxygen reduction reactions (ORR) is of utmost importance for sustainable energy exploitation, solving the energy crisis and environmental danger.
Interface engineering of a hole-transport layer/perovskite with low-band-gap 2D-carbon nitrides for solar cell fabrication
Authors: Ashraf Muhammad , Hemasiri Naveen Harindu , Kazim Samrana , Ullah Nisar , Khan Majad , Adewale Ganiyu Saheed , R. Alhooshani Khalid , Tahir Muhammad Nawaz , Ahmad Shahzada
Published: December 2022

Carbon nitride-based 2D materials, such as C3N3and C3N5, and their role as an interlayer in perovskite solar cells to stabilize NiOxhole selectivity are investigated.
Explicit demonstration of geometric frustration in chiral liquid crystals
Authors: Long Cheng , Selinger Jonathan V.
Published: December 2022

In a cylinder with free boundaries, a chiral liquid crystal forms a double twist if the radius R is small relative to the natural twist q0. However, if q0R grows larger, the double twist is frustrated, and the liquid crystal forms a cholesteric phase.
Fluorescent azobenzene-confined coiled-coil mesofibers
Authors: Punia Kamia , Britton Dustin , Hüll Katharina , Yin Liming , Wang Yifei , Renfrew P. Douglas , Gilchrist M. Lane , Bonneau Richard , Trauner Dirk , Montclare Jin K.
Published: December 2022

Upon addition of the hydrophobic small molecule, Azocholine, Q is capable of transforming into a fluorescent mesofiber due to fluorogenic encapsulation and fiber thickening.