bluuebunny/crossref_metadata_2025 huggingface dataset:
Modulation-doping a correlated electron insulator
Authors: Mondal Debasish , Mahapatra Smruti Rekha , Derrico Abigail M. , Rai Rajeev Kumar , Paudel Jay R. , Schlueter Christoph , Gloskovskii Andrei , Banerjee Rajdeep , Hariki Atsushi , DeGroot Frank M. F. , Sarma D. D. , Narayan Awadhesh , Nukala Pavan , Gray Alexander X. , Aetukuri Naga Phani B.
Published: October 2023

Correlated electron materials (CEMs) host a rich variety of condensed matter phases. Vanadium dioxide (VO2) is a prototypical CEM with a temperature-dependent metal-to-insulator (MIT) transition with a concomitant crystal symmetry change. External control of MIT in VO2—especially without inducing structural changes—has been a long-standing challenge. In this work, we design and synthesize modulation-doped VO2-based thin film heterostructures that closely emulate a textbook example of filling control in a correlated electron insulator. Using a combination of charge transport, hard X-ray photoelectron spectroscopy, and structural characterization, we show that the insulating state can be doped to achieve carrier densities greater than 5 × 1021 cm−3 without inducing any measurable structural changes. We find that the MIT temperature (TMIT) continuously decreases with increasing carrier concentration. Remarkably, the insulating state is robust even at doping concentrations as high as ~0.2 e−/vanadium. Finally, our work reveals modulation-doping as a viable method for electronic control of phase transitions in correlated electron oxides with the potential for use in future devices based on electric-field controlled phase transitions.
Nutrient and arsenic biogeochemistry of Sargassum in the western Atlantic
Authors: McGillicuddy Dennis Joseph , Morton Peter Lynn , Brewton Rachel Aileen , Hu Chuanmin , Kelly Thomas Bryce , Solow Andrew Robert , Lapointe Brian Edward
Published: October 2023

The oceanographic ecology of pelagic Sargassum, and the means by which these floating macroalgae thrive in the nutrient-poor waters of the open ocean, have been studied for decades. Beginning in 2011, the Great Atlantic Sargassum Belt (GASB) emerged, with Sargassum proliferating in the tropical Atlantic and Caribbean where it had not previously been abundant. Here we show that the nutritional status of Sargassum in the GASB is distinct, with higher nitrogen and phosphorus content than populations residing in its Sargasso Sea habitat. Moreover, we find that variations in arsenic content of Sargassum reflect phosphorus limitation, following a hyperbolic relationship predicted from Michaelis-Menten nutrient uptake kinetics. Although the sources of nutrients fueling the GASB are not yet clear, our results suggest that nitrogen and phosphorus content of Sargassum, together with its isotopic composition, can be used to identify those sources, whether they be atmospheric, oceanic, or riverine in origin.
Drivers of Antarctic sea ice advance
Authors: Himmich Kenza , Vancoppenolle Martin , Madec Gurvan , Sallée Jean-Baptiste , Holland Paul R. , Lebrun Marion
Published: October 2023

Antarctic sea ice is mostly seasonal. While changes in sea ice seasonality have been observed in recent decades, the lack of process understanding remains a key challenge to interpret these changes. To address this knowledge gap, we investigate the processes driving the ice season onset, known as sea ice advance, using remote sensing and in situ observations. Here, we find that seawater freezing predominantly drives advance in the inner seasonal ice zone. By contrast, in an outer band a few degrees wide, advance is due to the import of drifting ice into warmer waters. We show that advance dates are strongly related to the heat stored in the summer ocean mixed layer. This heat is controlled by the timing of sea ice retreat, explaining the tight link between retreat and advance dates. Such a thermodynamic linkage strongly constrains the climatology and interannual variations, albeit with less influence on the latter.
Structure determination of ζ-N2 from single-crystal X-ray diffraction and theoretical suggestion for the formation of amorphous nitrogen
Authors: Laniel Dominique , Trybel Florian , Aslandukov Andrey , Spender James , Ranieri Umbertoluca , Fedotenko Timofey , Glazyrin Konstantin , Bright Eleanor Lawrence , Chariton Stella , Prakapenka Vitali B. , Abrikosov Igor A. , Dubrovinsky Leonid , Dubrovinskaia Natalia
Published: October 2023

The allotropy of solid molecular nitrogen is the consequence of a complex interplay between fundamental intermolecular as well as intramolecular interactions. Understanding the underlying physical mechanisms hinges on knowledge of the crystal structures of these molecular phases. That is especially true for ζ-N2, key to shed light on nitrogen’s polymerization. Here, we perform single-crystal X-ray diffraction on laser-heated N2 samples at 54, 63, 70 and 86 GPa and solve and refine the hitherto unknown structure of ζ-N2. In its monoclinic unit cell (space group C2/c), 16 N2 molecules are arranged in a configuration similar to that of ε-N2. The structure model provides an explanation for the previously identified Raman and infrared lattice and vibrational modes of ζ-N2. Density functional theory calculations give an insight into the gradual delocalization of electronic density from intramolecular bonds to intermolecular space and suggest a possible pathway towards nitrogen’s polymerization.
Single-cell analysis reveals altered tumor microenvironments of relapse- and remission-associated pediatric acute myeloid leukemia
Authors: Mumme Hope , Thomas Beena E. , Bhasin Swati S. , Krishnan Upaasana , Dwivedi Bhakti , Perumalla Pruthvi , Sarkar Debasree , Ulukaya Gulay B. , Sabnis Himalee S. , Park Sunita I. , DeRyckere Deborah , Raikar Sunil S. , Pauly Melinda , Summers Ryan J. , Castellino Sharon M. , Wechsler Daniel S. , Porter Christopher C. , Graham Douglas K. , Bhasin Manoj
Published: October 2023

Acute myeloid leukemia (AML) microenvironment exhibits cellular and molecular differences among various subtypes. Here, we utilize single-cell RNA sequencing (scRNA-seq) to analyze pediatric AML bone marrow (BM) samples from diagnosis (Dx), end of induction (EOI), and relapse timepoints. Analysis of Dx, EOI scRNA-seq, and TARGET AML RNA-seq datasets reveals an AML blasts-associated 7-gene signature (CLEC11A, PRAME, AZU1, NREP, ARMH1, C1QBP, TRH), which we validate on independent datasets. The analysis reveals distinct clusters of Dx relapse- and continuous complete remission (CCR)-associated AML-blasts with differential expression of genes associated with survival. At Dx, relapse-associated samples have more exhausted T cells while CCR-associated samples have more inflammatory M1 macrophages. Post-therapy EOI residual blasts overexpress fatty acid oxidation, tumor growth, and stemness genes. Also, a post-therapy T-cell cluster associated with relapse samples exhibits downregulation of MHC Class I and T-cell regulatory genes. Altogether, this study deeply characterizes pediatric AML relapse- and CCR-associated samples to provide insights into the BM microenvironment landscape.
Claudin-23 reshapes epithelial tight junction architecture to regulate barrier function
Authors: Raya-Sandino Arturo , Lozada-Soto Kristen M. , Rajagopal Nandhini , Garcia-Hernandez Vicky , Luissint Anny-Claude , Brazil Jennifer C. , Cui Guiying , Koval Michael , Parkos Charles A. , Nangia Shikha , Nusrat Asma
Published: October 2023

Claudin family tight junction proteins form charge- and size-selective paracellular channels that regulate epithelial barrier function. In the gastrointestinal tract, barrier heterogeneity is attributed to differential claudin expression. Here, we show that claudin-23 (CLDN23) is enriched in luminal intestinal epithelial cells where it strengthens the epithelial barrier. Complementary approaches reveal that CLDN23 regulates paracellular ion and macromolecule permeability by associating with CLDN3 and CLDN4 and regulating their distribution in tight junctions. Computational modeling suggests that CLDN23 forms heteromeric and heterotypic complexes with CLDN3 and CLDN4 that have unique pore architecture and overall net charge. These computational simulation analyses further suggest that pore properties are interaction-dependent, since differently organized complexes with the same claudin stoichiometry form pores with unique architecture. Our findings provide insight into tight junction organization and propose a model whereby different claudins combine to form multiple distinct complexes that modify epithelial barrier function by altering tight junction structure.
Coherent propagation of spin-orbit excitons in a correlated metal
Authors: Zimmermann Valentin , Yogi Arvind Kumar , Wong Deniz , Schulz Christian , Bartkowiak Maciej , Habicht Klaus , Wang Lichen , Isobe Masahiko , Minola Matteo , Khaliullin Giniyat , Keimer Bernhard , Hepting Matthias
Published: October 2023

Collective excitations such as plasmons and paramagnons are fingerprints of atomic-scale Coulomb and exchange interactions between conduction electrons in metals. The strength and range of these interactions, which are encoded in the excitations’ dispersion relations, are of primary interest in research on the origin of collective instabilities such as superconductivity and magnetism in quantum materials. Here we report resonant inelastic x-ray scattering experiments on the correlated 4d-electron metal Sr2RhO4, which reveal a spin-orbit entangled collective excitation. The dispersion relation of this mode is opposite to those of antiferromagnetic insulators such as Sr2IrO4, where the spin-orbit excitons are dressed by magnons. The presence of propagating spin-orbit excitons implies that the spin-orbit coupling in Sr2RhO4 is unquenched, and that collective instabilities in 4d-electron metals and superconductors must be described in terms of spin-orbit entangled electronic states.
COVID-19 mRNA vaccine-mediated antibodies in human breast milk and their association with breast milk microbiota composition
Authors: Zhao Shilin , Lok Kris Y. W. , Sin Zhen Y. , Peng Ye , Fan Heidi S. L. , Nagesh Nitya , Choi Martha S. L. , Kwok Jojo Y. Y. , Choi Edmond P. H. , Zhang Xi , Wai Hogan Kok-Fung , Tsang Leo C. H. , Cheng Samuel S. M. , Wong Matthew K. L. , Zhu Jie , Mok Chris K. P. , Ng Siew C. , Chan Francis K. L. , Peiris Malik , Poon Leo L. M. , Tun Hein M.
Published: October 2023

Newborns can acquire immunological protection to SARS-CoV-2 through vaccine-conferred antibodies in human breast milk. However, there are some concerns around lactating mothers with regards to potential short- and long-term adverse events and vaccine-induced changes to their breast milk microbiome composition, which helps shape the early-life microbiome. Thus, we sought to explore if SARS-CoV-2 mRNA vaccine could change breast milk microbiota and how the changes impact the levels of antibodies in breast milk. We recruited 49 lactating mothers from Hong Kong who received two doses of BNT162b2 vaccine between June 2021 and August 2021. Breast milk samples were self-collected by participants pre-vaccination, one week post-first dose, one week post-second dose, and one month post-second dose. The levels of SARS-CoV-2 spike-specific IgA and IgG in breast milk peaked at one week post-second dose. Subsequently, the levels of both antibodies rapidly waned in breast milk, with IgA levels returning to baseline levels one month post-second dose. The richness and composition of human breast milk microbiota changed dynamically throughout the vaccination regimen, but the abundances of beneficial microbes such as Bifidobacterium species did not significantly change after vaccination. Additionally, we found that baseline breast milk bacterial composition can predict spike-specific IgA levels at one week post-second dose (Area Under Curve: 0.72, 95% confidence interval: 0.58–0.85). Taken together, our results identified specific breast milk microbiota markers associated with high levels of IgA in the breast milk following BNT162b2 vaccine. Furthermore, in lactating mothers, BNT162b2 vaccines did not significantly reduce probiotic species in breast milk.
Continuous wideband microwave-to-optical converter based on room-temperature Rydberg atoms
Authors: Borówka Sebastian , Pylypenko Uliana , Mazelanik Mateusz , Parniak Michał
Published: October 2023

The coupling of microwave and optical systems presents an immense challenge due to the natural incompatibility of energies, but potential applications range from optical interconnects for quantum computers to next-generation quantum microwave sensors, detectors and coherent imagers. Several of the engineered platforms that have emerged are constrained by specific conditions, such as cryogenic environments, impulse protocols or narrowband fields. Here we employ Rydberg atoms that allow the wideband coupling of optical and microwave photons at room temperature with the use of a modest set-up. We present continuous-wave conversion of a 13.9 GHz field to a near-infrared optical signal using an ensemble of Rydberg atoms via a free-space six-wave mixing process designed to minimize noise interference from any nearby frequencies. The Rydberg photonic converter exhibits a conversion dynamic range of 57 dB and a wide conversion bandwidth of 16 MHz. Using photon counting, we demonstrate the readout of photons of free-space 300 K thermal background radiation at 1.59 nV cm−1 rad−1/2 s−1/2 (3.98 nV cm−1 Hz−1/2) with a sensitivity down to 3.8 K of noise-equivalent temperature, allowing us to observe Hanbury Brown and Twiss interference of microwave photons.
Depletion of slow-cycling PDGFRα+ADAM12+ mesenchymal cells promotes antitumor immunity by restricting macrophage efferocytosis
Authors: Di Carlo Selene E. , Raffenne Jerome , Varet Hugo , Ode Anais , Granados David Cabrerizo , Stein Merle , Legendre Rachel , Tuckermann Jan , Bousquet Corinne , Peduto Lucie
Published: October 2023

The capacity to survive and thrive in conditions of limited resources and high inflammation is a major driver of tumor malignancy. Here we identified slow-cycling ADAM12+PDGFRα+ mesenchymal stromal cells (MSCs) induced at the tumor margins in mouse models of melanoma, pancreatic cancer and prostate cancer. Using inducible lineage tracing and transcriptomics, we demonstrated that metabolically altered ADAM12+ MSCs induced pathological angiogenesis and immunosuppression by promoting macrophage efferocytosis and polarization through overexpression of genes such as Gas6, Lgals3 and Csf1. Genetic depletion of ADAM12+ cells restored a functional tumor vasculature, reduced hypoxia and acidosis and normalized CAFs, inducing infiltration of effector T cells and growth inhibition of melanomas and pancreatic neuroendocrine cancer, in a process dependent on TGF-β. In human cancer, ADAM12 stratifies patients with high levels of hypoxia and innate resistance mechanisms, as well as factors associated with a poor prognosis and drug resistance such as AXL. Altogether, our data show that depletion of tumor-induced slow-cycling PDGFRα+ MSCs through ADAM12 restores antitumor immunity.
Collection of X-ray micro computed tomography images of shells of planktic foraminifera with curated taxonomy
Authors: Siccha Michael , Morard Raphaël , Meilland Julie , Iwasaki Shinya , Kucera Michal , Kimoto Katsunori
Published: October 2023

Calcite shells of planktic foraminifera (Protista, Rhizaria) constitute a large portion of deep-sea sediments. The shells are constructed by sequential addition of partly overlapping chambers with diverse shapes, resulting in complex shell architectures, which are genetically fixed and diagnostic at the species level. The characterisation of the complete architecture requires three-dimensional imaging of the shell, including the partially or entirely covered juvenile chambers. Here we provide reconstructed x-ray micro computed tomography image stacks of 179 specimens of extant planktic foraminifera collected from plankton tows, sediment traps and surface sediments. The specimens have fully resolved and curated taxonomy and represent 43 of the currently recognised 48 holoplanktic species and subspecies. The image stacks form a basis for further applications, such as the characterisation of the architectural morphospace of the extant taxa, allowing studies of species functional ecology, calcification intensity and reconstructions of phylogenetic relationships.
Long- and short-read RNA sequencing from five reproductive organs of boar
Authors: Liu Zhipeng , Zhang Xia , Huang Libin , Huo Hailong , Wang Pei , Li Weizhen , Dai Hongmei , Yang Fuhua , Fu Guowen , Zhao Guiying , Sun Yu H. , Huo Jinlong
Published: October 2023

The production of semen in boars involves multiple reproductive glands, including the testis (Tes), epididymis (Epi), vesicular gland (VG), prostate gland (PG), and bulbourethral gland (BG). However, previous studies on boar reproduction primarily focused on the testis, with little attention paid to the other glands. Here, we integrated single-molecule long-read sequencing with short-read sequencing to characterize the RNA landscape from five glands of Banna mini-pig inbred line (BMI) and Diannan small-ear pigs (DSE). We identified 110,996 full-length isoforms from 22,298 genes, and classified the alternative splicing (AS) events in these five glands. Transcriptome-wide variation analysis indicated that the number of single nucleotide polymorphisms (SNPs) in five tissues of BMI was significantly lower than that in the non-inbred pig, DSE, revealing the effect of inbreeding on BMI. Additionally, we performed small-RNA sequencing and identified 299 novel miRNAs across all glands. Overall, our findings provide a comprehensive overview of the RNA landscape within these five glands, paving the path for future investigations on reproductive biology and the impact of inbreeding on pig transcriptome.
An angiopoietin 2, FGF23, and BMP10 biomarker signature differentiates atrial fibrillation from other concomitant cardiovascular conditions
Authors: Chua Winnie , Cardoso Victor R. , Guasch Eduard , Sinner Moritz F. , Al-Taie Christoph , Brady Paul , Casadei Barbara , Crijns Harry J. G. M. , Dudink Elton A. M. P. , Hatem Stéphane N. , Kääb Stefan , Kastner Peter , Mont Lluis , Nehaj Frantisek , Purmah Yanish , Reyat Jasmeet S. , Schotten Ulrich , Sommerfeld Laura C. , Zeemering Stef , Ziegler André , Gkoutos Georgios V. , Kirchhof Paulus , Fabritz Larissa
Published: October 2023

Early detection of atrial fibrillation (AF) enables initiation of anticoagulation and early rhythm control therapy to reduce stroke, cardiovascular death, and heart failure. In a cross-sectional, observational study, we aimed to identify a combination of circulating biomolecules reflecting different biological processes to detect prevalent AF in patients with cardiovascular conditions presenting to hospital. Twelve biomarkers identified by reviewing literature and patents were quantified on a high-precision, high-throughput platform in 1485 consecutive patients with cardiovascular conditions (median age 69 years [Q1, Q3 60, 78]; 60% male). Patients had either known AF (45%) or AF ruled out by 7-day ECG-monitoring. Logistic regression with backward elimination and a neural network approach considering 7 key clinical characteristics and 12 biomarker concentrations were applied to a randomly sampled discovery cohort (n = 933) and validated in the remaining patients (n = 552). In addition to age, sex, and body mass index (BMI), BMP10, ANGPT2, and FGF23 identified patients with prevalent AF (AUC 0.743 [95% CI 0.712, 0.775]). These circulating biomolecules represent distinct pathways associated with atrial cardiomyopathy and AF. Neural networks identified the same variables as the regression-based approach. The validation using regression yielded an AUC of 0.719 (95% CI 0.677, 0.762), corroborated using deep neural networks (AUC 0.784 [95% CI 0.745, 0.822]). Age, sex, BMI and three circulating biomolecules (BMP10, ANGPT2, FGF23) are associated with prevalent AF in unselected patients presenting to hospital. Findings should be externally validated. Results suggest that age and different disease processes approximated by these three biomolecules contribute to AF in patients. Our findings have the potential to improve screening programs for AF after external validation.
Morphological analysis of three-dimensional MR images of patellofemoral joints in asymptomatic subjects
Authors: Katano Hisako , Ozeki Nobutake , Mizuno Mitsuru , Endo Kentaro , Okanouchi Noriya , Fujita Jo , Masumoto Jun , Koga Hideyuki , Sekiya Ichiro
Published: October 2023

The existing methods for analyzing patellofemoral (PF) osteoarthritis (OA) are limited. Our purpose was to clarify the frequency, localization, and morphological progression of PFOA by observing three-dimensional (3D) magnetic resonance (MR) images from a cohort population. The subjects were 561 patients aged 30–79 years from the Kanagawa Knee Study who had not visited a hospital for more than three consecutive months for knee symptoms. MR images of the PF joints, separated into the medial and lateral types, were presented in order of the highest to lowest patella cartilage area ratios. Cartilage defects in the patella were detected in 37 subjects (6.6%). Medial lesions (4.6%) were significantly more frequent than lateral lesions (2.0%) (p < 0.01). For both medial and lateral lesions, the patellar cartilage defects were divided into confined and unconfined types. The 3D MR images of the PF joint showed that the patellar cartilage defect occurred along each ridge of the femoral trochlea. The 3D MR images revealed a 6.6% prevalence of patellar cartilage defects, higher in the medial than lateral regions. The 3D MR images can easily determine PF morphology and cartilage defect location, making them useful in understanding the pathophysiology and etiology of PFOA.
Chemical analysis of pottery reveals the transition from a maritime to a plant-based economy in pre-colonial coastal Brazil
Authors: Admiraal Marjolein , Colonese Andre C. , Milheira Rafael G. , da Rocha Bandeira Dione , Demathe Alexandro , Pereira dos Santos Adriana M. , Fossile Thiago , Talbot Helen M. , Bondetti Manon , Lucquin Alexandre , Montalvo-Cabrera Javier , Prates Luciano , Serna Alejandro , Craig Oliver E.
Published: October 2023

Understanding long-term dynamics of past socio-ecological systems is essential for their future management. The southern Atlantic Forest coast of Brazil with its biodiverse littoral zone and artisanal fishing communities, is a priority for conservation. Traditional maritime knowledge is thought to have a deep-history and indeed, marine exploitation can be traced back to the middle Holocene. As part of one of South America’s largest diasporas, Guarani groups reached the southern Brazilian coast at around 1000 years ago. Their impact on the long-standing coastal economy is unknown, due to poor preservation of organic remains. Through the first organic residue study on Guarani pottery, we show that maize rather than aquatic foods was the most dominant product in pottery at this time. By developing a mixing model based on carbon isotope values of saturated and mono-unsaturated fatty acids we propose new criteria for the identification of maize, opening up avenues for future research. Our data confirms the importance of maize to the pre-colonial Guarani, even in a highly productive coastal environment. The Guarani occupation of this region marks a significant departure from previous socio-economic systems, potentially leading to loss of traditional knowledge and alleviating anthropogenic pressure, albeit temporarily, on the marine environment.
Assessment of the electro-mechanical equipment’s weight of the European hydropower fleet
Authors: Quaranta Emanuele
Published: October 2023

Hydropower structures are typically made of materials that are available in most parts of the world, such as steel, concrete, and—to a lesser extent—copper, and do not use critical materials. The weight of hydropower structures is an important input data, as it is used to perform Life Cycle Assessments and to estimate the cost and the economic value of materials, both during the design and in case of dismantling or retrofitting. The weight of material is of interest also for policy-making purposes and for strategic development planning, for example to estimate impacts on resources. In this study, available literature equations are, for the first time, applied at a regional scale (the European Union) to estimate the weight of the hydropower fleet’s electro-mechanical (steel-made) equipment. The total weight of the electro-mechanical equipment (runner, distributor, generator, draft tube and casing) amounts to 877 ktons. The average ratio of weight to installed power is R = 5.7 ton/MW and it is lower in mountainous countries (R = 4–6 in alpine areas, R = 30 in Denmark), where hydropower plants exploit high heads and low discharges.
The mental health impact of school bullying among young carers in Australia: a causal mediation analysis
Authors: Alfonzo Ludmila Fleitas , Singh Ankur , Disney George , King Tania
Published: October 2023

Informal care can exert adverse effects on the mental health of young people. Bullying victimisation is an important determinant of mental disorders. Young carers are at elevated risk of bullying. We quantify the mental health effects of informal care among Australian adolescents and the extent to which these effects are transmitted through school bullying. We used data from the Longitudinal Study of Australian Children. Participants were classified as non-carers, light carers (caring for < 10 h/week) and moderate-to-heavy carers (caring for 10 + h/week). Mental health was measured using the Kessler Psychological Distress Scale (K10). Using a counterfactual approach to mediation analysis, total effects (TE) of informal care on mental health were decomposed into natural direct effects (NDE—mental health effects not transmitted through school bullying) and natural indirect effects (NIE—mental health effects transmitted through school bullying). The TE of informal caring was 0.71 (95%CI − 0.03, 1.49) for light carers and 1.72 (95%CI 0.45, 3.02) for moderate-to-heavy carers. While school bullying explained 27% of the TE among moderate-to-heavy carers (NIE: 0.46; 95%CI 0.12, 0.91) there was weak evidence of mediation for light carers. Our findings indicate that the mental health effects of moderate-to-heavy caregiving can be reduced by school bullying interventions.
Behavior-related health risk factors, mental disorders and mortality after 20 years in a working aged general population sample
Authors: John Ulrich , Rumpf Hans-Jürgen , Hanke Monika , Meyer Christian
Published: October 2023

Mortality is predicted by the sum of behavior-related health risk factors (BRFs: tobacco smoking, alcohol drinking, body overweight, and physical inactivity). We analyzed degrees and combinations of BRFs in their relation to mortality and adjusted for mental disorders. In a random sample of the general population in northern Germany aged 18–64, BRFs and mental disorders had been assessed in 1996–1997 by the Munich Composite International Diagnostic Interview. A sum score including eight ranks of the behavior-related health risk factors was built. Death and its causes were ascertained 2017–2018 using residents’ registration files and death certificates. Relations of the sum score and combinations of the BRFs at baseline with all-cause, cancer, and cardiovascular mortality 20 years later were analyzed. The sum score and combinations predicted all-cause, cardiovascular and cancer mortality. The odds ratio of the sum score was 1.38 (95% confidence interval 1.31–1.46) after adjustment for age, gender, and mental disorder. In addition to the BRFs, mood, anxiety or somatoform disorders were not related to mortality. We concluded that the sum score and combinations of behavior-related health risk factors predicted mortality, even after adjustment for mental disorders.
Design of hypoxia responsive CRISPR-Cas9 for target gene regulation
Authors: An Yan , Talwar Chandana S. , Park Kwang-Hyun , Ahn Woo-Chan , Lee Su-Jin , Go Seong-Ryeong , Cho Jin Hwa , Kim Do Yon , Kim Yong-Sam , Cho Sayeon , Kim Jeong-Hoon , Kim Tae-Jip , Woo Eui-Jeon
Published: October 2023

The CRISPR–Cas9 system is a widely used gene-editing tool, offering unprecedented opportunities for treating various diseases. Controlling Cas9/dCas9 activity at specific location and time to avoid undesirable effects is very important. Here, we report a conditionally active CRISPR–Cas9 system that regulates target gene expression upon sensing cellular environmental change. We conjugated the oxygen-sensing transcription activation domain (TAD) of hypoxia-inducing factor (HIF-1α) with the Cas9/dCas9 protein. The Cas9-TAD conjugate significantly increased endogenous target gene cleavage under hypoxic conditions compared with that under normoxic conditions, whereas the dCas9-TAD conjugate upregulated endogenous gene transcription. Furthermore, the conjugate system effectively downregulated the expression of SNAIL, an essential gene in cancer metastasis, and upregulated the expression of the tumour-related genes HNF4 and NEUROD1 under hypoxic conditions. Since hypoxia is closely associated with cancer, the hypoxia-dependent Cas9/dCas9 system is a novel addition to the molecular tool kit that functions in response to cellular signals and has potential application for gene therapeutics.
Effects of MRI scanner manufacturers in classification tasks with deep learning models
Authors: Kushol Rafsanjany , Parnianpour Pedram , Wilman Alan H. , Kalra Sanjay , Yang Yee-Hong
Published: October 2023

Deep learning has become a leading subset of machine learning and has been successfully employed in diverse areas, ranging from natural language processing to medical image analysis. In medical imaging, researchers have progressively turned towards multi-center neuroimaging studies to address complex questions in neuroscience, leveraging larger sample sizes and aiming to enhance the accuracy of deep learning models. However, variations in image pixel/voxel characteristics can arise between centers due to factors including differences in magnetic resonance imaging scanners. Such variations create challenges, particularly inconsistent performance in machine learning-based approaches, often referred to as domain shift, where the trained models fail to achieve satisfactory or improved results when confronted with dissimilar test data. This study analyzes the performance of multiple disease classification tasks using multi-center MRI data obtained from three widely used scanner manufacturers (GE, Philips, and Siemens) across several deep learning-based networks. Furthermore, we investigate the efficacy of mitigating scanner vendor effects using ComBat-based harmonization techniques when applied to multi-center datasets of 3D structural MR images. Our experimental results reveal a substantial decline in classification performance when models trained on one type of scanner manufacturer are tested with data from different manufacturers. Moreover, despite applying ComBat-based harmonization, the harmonized images do not demonstrate any noticeable performance enhancement for disease classification tasks.
Defect engineering for enhanced optical and photocatalytic properties of ZnS nanoparticles synthesized by hydrothermal method
Authors: Jubeer E. Muhammed , Manthrammel M. Aslam , Subha P. A. , Shkir Mohd , Biju K. P. , AlFaify S. A.
Published: October 2023

Defect engineering is a promising method for improving light harvesting in photocatalytic materials like Zinc sulphide (ZnS). By altering the S/Zn molar ratio during hydrothermal processes, Zn and S defects are successfully introduced into the ZnS crystal. The band structures can be modified by adding defects to the crystal structure of ZnS samples. During the treatment process, defects are formed on the surface. XRD and Raman studies are used for the confirmation of the crystallinity and phase formation of the samples. Using an X-ray peak pattern assessment based on the Debye Scherer model, the Williamson-Hall model, and the size strain plot, it was possible to study the influence of crystal defect on the structural characteristics of ZnS nanoparticles. The band gap (Eg) values were estimated using UV–Vis diffuse spectroscopy (UV–Vis DRS) and found that the Eg is reduced from 3.28 to 3.49 eV by altering the S/Zn molar ratio. Photoluminescence study (PL) shows these ZnS nanoparticles emit violet and blue radiations. In keeping with the results of XRD, TEM demonstrated the nanoscale of the prepared samples and exhibited a small agglomeration of homogenous nanoparticles. Scanning electron microscopy (SEM) was used to examine the surface morphology of the ZnS particles. Inductively Coupled Plasma Optical Emission Spectroscopy (ICP-OES) and X-ray photoelectron spectroscopy (XPS) were used to evaluate and validate the elemental composition. XPS results indicate the presence of defects on the prepared ZnS nanoparticles. For the investigation of vacancy-dependent catalytic activity under exposure to visible light, defective ZnS with different quantities of Zn and S voids are used as catalysts. The lowest S/Zn sample, ZnS0.67 and the highest S/Zn sample, ZnS3, show superior photocatalytic activity.
Advancing chirality analysis through enhanced enantiomer characterization and quantification via fast Fourier transform capacitance voltammetry
Authors: Ebrahimi Mehrnaz , Norouzi Parviz , Ghasemi Jahan B. , Moosavi-Movahedi Ali Akbar , Noroozifar Meissam , Salahandish Razieh
Published: October 2023

The exploration of the chiral configurations of enantiomers represents a highly intriguing realm of scientific inquiry due to the distinct roles played by each enantiomer (D and L) in chemical reactions and their practical utilities. This study introduces a pioneering analytical methodology, termed fast Fourier transform capacitance voltammetry (FFT-CPV), in conjunction with principal component analysis (PCA), for the identification and quantification of the chiral forms of tartaric acid (TA), serving as a representative model system for materials exhibiting pronounced chiral characteristics. The proposed methodology relies on the principle of chirality, wherein the capacitance signal generated by the adsorption of D-TA and L-TA onto the surface of a platinum electrode (Pt-electrode) in an acidic solution is harnessed. The capacitance voltammograms were meticulously recorded under optimized experimental conditions. To compile the final dataset for the analyte, the average of the FFT capacitance voltammograms of the acidic solution (without the presence of the analyte) was subtracted from those containing the analyte. A distinct arrangement was obtained by employing PCA as a linear data transformation method, representing D-TA and L-TA in a two/three-dimensional space. The outcomes of the study reveal the successful detection of the two chiral forms of TA with a considerable degree of precision and reproducibility. Moreover, the proposed method facilitated the establishment of two linear response ranges for the concentration values of each enantiomer, spanning from 1 to 20 µM, and 50 to 500 µM. The respective detection limits were also determined to be 0.4 µM for L-TA and 1.3 µM for D-TA. These findings underscore the satisfactory sensitivity and efficiency of the proposed method in both qualitative and quantitative assessments of the chiral forms of TA.
Characterization and application of tannase and gallic acid produced by co-fungi of Aspergillus niger and Trichoderma viride utilizing agro-residues substrates
Authors: Ahmed Alshaymaa I. , Abou-Taleb Khadiga A. A. , Abd-Elhalim Basma T.
Published: October 2023

Bioconversion using fungi, as natural factory of many applicable bioactive compounds, as enzymes utilizing agro-residue substrates as a solid, abundant, low-cost growth and enzyme production media. This study characterized and applied a tannase enzyme (308 U/mg) from Aspergillus niger A8 + Trichoderma viride co-cultures utilizing pomegranate peels. The partially purified enzyme showed maximal relative activity at 37–65 °C for 10 min and kinetics of thermal inactivation energy at a high point at 60 °C for 0.040/min. The half-life was 37 °C for 58.6 min, temperature coefficient Q10 of tannase was maximal for 1.38 between 40 and 50 °C, and the activation energy was 17.42 kJ/mol. The enzyme activity peaked in the pH range of 4–8, and the maximum relative activity (100.6%) for tannase was achieved at pH 6. The Km and Vmax values for purified enzymes using tannic acid were 7.3 mg/mL and 3333.33 U/mL, respectively. The enzyme reduced the total tannin content in all tannin-rich substrates after 12h. The gallic acid (GA) had total phenols of 77.75 ppm and antioxidant activity of 82.91%. It was observed that the GA as antimicrobial influencer exhibited the largest inhibitory zone diameter (IZD) of 31 ± 1.0 mm against Pseudomonas aeruginosa ATCC27853. The GA minimum inhibitory concentration value was ranged from 7770.0–121.41 µg/mL. The obtained GA showed a bactericidal effect against all bacterial strains except Shigella sonnei DSM5570 and Salmonella typhi DSM17058, which showed bacteriostatic behavior.
Zn salts incorporated polyurethane/polyacrylonitrile electrospinning fiber membrane for high porosity polymer electrolyte in Zn ion battery
Authors: Likitaporn Chutiwat , Okhawilai Manunya , Senthilkumar Nangan , Wongsalam Tawan , Tanalue Nattapon , Kasemsiri Pornnapa , Qin Jiaqian , Uyama Hiroshi
Published: October 2023

So far, a large variety of polymer molecule architectures have been explored in the electrolyte field. Polymer electrolytes have gathered research efforts as an interesting alternative to conventional liquid electrolytes due to their advantages of low probability of leakage and low volatility of liquid solvent, lightweight, flexibility, inertness, high durability, and thermal stability. In this work, a polymer electrolyte developed from a polyurethane/polyacrylonitrile (PU/PAN) electrospinning fiber membrane was added with different zinc (Zn) salts, namely, Zn(CH3CO2)2, ZnSO4, and Zn(OTf)2. The samples with the Zn salt presented many different properties; especially, the high Zn(OTf)2 sample showed gradually bundle morphology in its structure. Characterization revealed improved properties in contact angle, water uptake, and thermal resistance. Namely, the 15 wt% Zn(OTf)2) sample exhibited an outstandingly high ionic conductivity of 3.671 mS cm−1, which is 10 times higher than that of the neat PU/PAN membrane.
Efficient oxidation of sulfides to sulfoxides catalyzed by heterogeneous Zr-containing polyoxometalate grafted on graphene oxide
Authors: Yekke-Ghasemi Zahra , Heravi Majid M. , Malmir Masoume , Mirzaei Masoud
Published: October 2023

In this study, a tri-component composite named Zr/SiW12/GO was meticulously prepared through an ultrasonic-assisted method. This composite incorporates zirconium nanoparticles (Lewis acid), a negatively charged Keggin type polyoxometalate, and graphene oxide, and serves as a remarkable heterogeneous catalyst. The Keggin component plays multiple roles as reducing, encapsulating, and bridging agents, resulting in a cooperative effect among the three components that significantly enhances the catalytic activity. The catalytic performance of Zr/SiW12/GO was thoroughly investigated in the oxidation of sulfides to sulfoxides under mild conditions, employing H2O2 as the oxidant. Remarkably, this composite exhibited exceptional stability and could be effortlessly recovered and reused up to four times without any noticeable loss in its catalytic activity.
A sensorless, Big Data based approach for phenology and meteorological drought forecasting in vineyards
Authors: Canavera Ginevra , Magnanini Eugenio , Lanzillotta Simone , Malchiodi Claudio , Cunial Leonardo , Poni Stefano
Published: October 2023

A web-based app was developed and tested to provide predictions of phenological stages of budburst, flowering and veraison, as well as warnings for meteorological drought. Such predictions are especially urgent under a climate change scenario where earlier phenology and water scarcity are increasingly frequent. By utilizing a calibration data set provided by 25 vineyards observed in the Emilia Romagna Region for two years (2021–2022), the above stages were predicted as per the binary event classification paradigm and selection of the best fitting algorithm based on the comparison between several metrics. The seasonal vineyard water balance was calculated by subtracting daily bare or grassed soil evapotranspiration (ETs) and canopy transpiration (Tc) from the initial water soil reservoir. The daily canopy water use was estimated through a multiple, non-linear (quadratic) regression model employing three independent variables defined as total direct light, vapor pressure deficit and total canopy light interception, whereas ETSwas entered as direct readings taken with a closed-type chamber system. Regardless of the phenological stage, the eXtreme Gradient Boosting (XGBoost) model minimized the prediction error, which was determined as the root mean square error (RMSE) and found to be 5.6, 2.3 and 8.3 days for budburst, flowering and veraison, respectively. The accuracy of the drought warnings, which were categorized as mild (yellow code) or severe (red code), was assessed by comparing them to in situ readings of leaf gas exchange and water status, which were found to be correct in 9 out of a total of 14 case studies. Regardless of the geolocation of a vineyard and starting from basic in situ or online weather data and elementary vineyard and soil characteristics, the tool can provide phenology forecasts and early warnings of meteorological drought with no need for fixed, bulky and expensive sensors to measure soil or plant water status.
Electro-oxidation sensing of sumatriptan in aqueous solutions and human blood serum by Zn(II)-MOF modified electrochemical delaminated pencil graphite electrode
Authors: Saghatforoush Lotfali , Mahmoudi Tohid , Khorablou Zeynab , Nasiri Hassan , Bakhtiari Akbar , Sajadi Seyed Ali Akbar
Published: October 2023

An electrochemical sensory platform is presented for determination of sumatriptan (SUM) in aqueous solutions and human blood serum. A pencil graphite electrode (PGE) was electrochemically delaminated by cyclic voltammetry technique, and then further modified using nanoparticles of a zinc-based metal–organic framework (Zn(II)-MOF). The fabricated Zn(II)-MOF/EDPGE electrode was utilized for sensitive electrochemical detection of SUM via an electro-oxidation reaction. The Zn(II)-MOF was hydrothermally synthesized and characterized by various techniques. The electrochemical delamination of PGE results in a porous substrate, facilitating the effective immobilization of the modifier. The designed sensor benefits from both enhanced surface area and an accelerated electron transfer rate, as evidenced by the chronocoulogram and Nyquist plots. Under optimized conditions, the developed sensor exhibited a linear response for 0.99–9.52 µM SUM solutions. A short response time of 5 s was observed for the fabricated sensor and the detection limit was found to be 0.29 μM. Selectivity of Zn(II)-MOF/EDPGE towards SUM was evaluated by examining the interference effect of codeine, epinephrine, acetaminophen, ascorbic acid, and uric acid, which are commonly found in biological samples. The developed sensor shows excellent performance with recovery values falling within the range of 96.6 to 111% for the analysis of SUM in human blood serum samples.
Human peripheral blood mononuclear cells display a temporal evolving inflammatory profile after myocardial infarction and modify myocardial fibroblasts phenotype
Authors: Miquelestorena-Standley Elodie , da Silva Ana Valéria Vinhais , Monnier Marina , Chadet Stéphanie , Piollet Marie , Héraud Audrey , Lemoine Roxane , Bochaton Thomas , Derumeaux Geneviève , Roger Sébastien , Ivanes Fabrice , Angoulvant Denis
Published: October 2023

Pathophysiological response after acute myocardial infarction (AMI) is described as a three-stage model involving temporal phenotypic modifications of both immune cells and fibroblasts: a primary inflammatory phase, followed by a reparative phase and a fibrous scar maturation phase. Purinergic receptors, particularly the P2Y11 receptor, have been reported to be involved in the regulation of inflammation after ischemia and could act for the resolution of inflammation after AMI. For the first time, we characterized the immuno-inflammatory and P2Y11 expression profiles of peripheral blood mononuclear cells (PBMC) from AMI patients and analyzed the consequences of presenting these cells to cardiac fibroblasts in vitro. PBMC from 178 patients were collected at various times after reperfused ST-segment elevation AMI, from H0 to M12. Expression level of P2RY11 and genes involved in tolerogenic profile of dendritic cells and T cell polarization were evaluated by RT-PCR. P2Y11 protein expression was assessed by flow cytometry. PBMC and human cardiac fibroblasts (HCF) were cocultured and α-SMA/vimentin ratio was analyzed by flow cytometry. Within the first 48 h after AMI, expression levels of HMOX1, STAT3 and CD4 increased while IDO1 and TBX21/GATA3 ratio decreased. Concomitantly, the expression of P2RY11 increased in both T and B cells. In vitro, PBMC collected at H48 after AMI induced an increase in α-SMA/vimentin ratio in HCF. Our results suggest that human PBMC display an evolving inflammatory profile with reparative characteristics the first two days after AMI and secrete soluble mediators leading to the fibroblastic proteins modification, thus participating to myocardial fibrosis.
Genetic variability in cisplatin metabolic pathways and outcome of locally advanced head and neck squamous cell carcinoma patients
Authors: Ferreira Ana Maria Castro , Altemani João Maurício Carrasco , Macedo Ligia Traldi , Lourenço Gustavo Jacob , Lima Carmen Silvia Passos
Published: October 2023

Advanced head and neck squamous cell carcinoma (HNSCC) patients have been treated with cisplatin (CDDP) chemoradiation, and the variability of treatment effects has been attributed to single nucleotide variants (SNVs) in genes of metabolic pathways. This study investigated the roles of GSTM1, GSTT1, GSTP1 c.313A>G, XPC c.2815A>C, XPD c.934G>A and c.2251A>C, XPF c.2505T>C, ERCC1 c.354C>T, MLH1 c.93G>A, MSH2 c.211+9C>G, MSH3 c.3133G>A, EXO1 c.1765G>A, TP53 c.215G>C, CASP3 c.-1191A>G and c.-182-247G>T, FAS c.-1378G>A and c.-671A>G and FASL c.-844C>T SNVs in outcome of 109 patients treated with CDDP chemoradiation. Genotypes were identified in genomic DNA by PCR-based methods. Conventional criteria and tests analyzed response and survival. Patients with XPC c.2815AC or CC had 3.43 times more chances of presenting partial response or stable disease. Patients with FAS c.-671GG, GSTM1 present plus XPC c.2815AA, or plus XPD c.934GG, or plus XPD c.2251AA, or plus TP53 c.215GC or CC, and XPD c.2251AA plus XPF c.2505TT had up to 2.70 and 2.37 times more chances of presenting tumor progression and evolving to death, respectively. Our data indicate, for the first time, preliminary evidence that combined SNVs of CDDP metabolism act as independent prognostic factors and can be used to select patients for distinct treatments.