bluuebunny/crossref_metadata_2025 huggingface dataset:
Maternal diabetes and risk of attention-deficit/hyperactivity disorder in offspring in a multinational cohort of 3.6 million mother–child pairs
Authors: Chan Adrienne Y. L. , Gao Le , Hsieh Miyuki Hsing-Chun , Kjerpeseth Lars J. , Avelar Raquel , Banaschewski Tobias , Chan Amy Hai Yan , Coghill David , Cohen Jacqueline M. , Gissler Mika , Harrison Jeff , Ip Patrick , Karlstad Øystein , Lau Wallis C. Y. , Leinonen Maarit K. , Leung Wing Cheong , Liao Tzu-Chi , Reutfors Johan , Shao Shih-Chieh , Simonoff Emily , Tan Kathryn Choon Beng , Taxis Katja , Tomlin Andrew , Cesta Carolyn E. , Lai Edward Chia-Cheng , Zoega Helga , Man Kenneth K. C. , Wong Ian C. K.
Published: April 2024

Previous studies report an association between maternal diabetes mellitus (MDM) and attention-deficit/hyperactivity disorder (ADHD), often overlooking unmeasured confounders such as shared genetics and environmental factors. We therefore conducted a multinational cohort study with linked mother–child pairs data in Hong Kong, New Zealand, Taiwan, Finland, Iceland, Norway and Sweden to evaluate associations between different MDM (any MDM, gestational diabetes mellitus (GDM) and pregestational diabetes mellitus (PGDM)) and ADHD using Cox proportional hazards regression. We included over 3.6 million mother–child pairs between 2001 and 2014 with follow-up until 2020. Children who were born to mothers with any type of diabetes during pregnancy had a higher risk of ADHD than unexposed children (pooled hazard ratio (HR) = 1.16, 95% confidence interval (CI) = 1.08-1.24). Higher risks of ADHD were also observed for both GDM (pooled HR = 1.10, 95% CI = 1.04-1.17) and PGDM (pooled HR = 1.39, 95% CI = 1.25-1.55). However, siblings with discordant exposure to GDM in pregnancy had similar risks of ADHD (pooled HR = 1.05, 95% CI = 0.94-1.17), suggesting potential confounding by unmeasured, shared familial factors. Our findings indicate that there is a small-to-moderate association between MDM and ADHD, whereas the association between GDM and ADHD is unlikely to be causal. This finding contrast with previous studies, which reported substantially higher risk estimates, and underscores the need to reevaluate the precise roles of hyperglycemia and genetic factors in the relationship between MDM and ADHD.
Single-cell RNA-sequencing of virus-specific cellular immune responses in chronic hepatitis B patients
Authors: Hatje Klas , Kam-Thong Tony , Giroud Nicolas , Saviano Antonio , Simo-Noumbissie Pauline , Kumpesa Nadine , Nilsson Tobias , Habersetzer François , Baumert Thomas F. , Pelletier Nadege , Forkel Marianne
Published: April 2024

Chronic hepatitis B (CHB) is a major global health challenge. CHB can be controlled by antivirals but a therapeutic cure is lacking. CHB is characterized by limited HBV-specific T cell reactivity and functionality and expression of inhibitory receptors. The mechanisms driving these T cell phenotypes are only partially understood. Here, we created a single-cell RNA-sequencing dataset of HBV immune responses in patients to contribute to a better understanding of the dysregulated immunity. Blood samples of a well-defined cohort of 21 CHB and 10 healthy controls, including a subset of 5 matched liver biopsies, were collected. scRNA-seq data of total immune cells (55,825) plus sorted HBV-specific (1,963), non-naive (32,773) and PD1+ T cells (96,631) was generated using the 10X Genomics platform (186,123 cells) or the full-length Smart-seq2 protocol (1,069 cells). The shared transcript count matrices of single-cells serve as a valuable resource describing transcriptional changes underlying dysfunctional HBV-related T cell responses in blood and liver tissue and offers the opportunity to identify targets or biomarkers for HBV-related immune exhaustion.
The impact of policing and homelessness on violence experienced by women who sell sex in London: a modelling study
Authors: Walker Josephine G. , Elmes Jocelyn , Grenfell Pippa , Eastham Janet , Hill Kathleen , Stuart Rachel , Boily Marie-Claude , Platt Lucy , Vickerman Peter
Published: April 2024

Street-based sex workers experience considerable homelessness, drug use and police enforcement, making them vulnerable to violence from clients and other perpetrators. We used a deterministic compartmental model of street-based sex workers in London to estimate whether displacement by police and unstable housing/homelessness increases client violence. The model was parameterized and calibrated using data from a cohort study of sex workers, to the baseline percentage homeless (64%), experiencing recent client violence (72%), or recent displacement (78%), and the odds ratios of experiencing violence if homeless (1.97, 95% confidence interval 0.88–4.43) or displaced (4.79, 1.99–12.11), or of experiencing displacement if homeless (3.60, 1.59–8.17). Ending homelessness and police displacement reduces violence by 67% (95% credible interval 53–81%). The effects are non-linear; halving the rate of policing or becoming homeless reduces violence by 5.7% (3.5–10.3%) or 6.7% (3.7–10.2%), respectively. Modelled interventions have small impact with violence reducing by: 5.1% (2.1–11.4%) if the rate of becoming housed increases from 1.4 to 3.2 per person-year (Housing First initiative); 3.9% (2.4–6.9%) if the rate of policing reduces by 39% (level if recent increases had not occurred); and 10.2% (5.9–19.6%) in combination. Violence reduces by 26.5% (22.6–28.2%) if half of housed sex workers transition to indoor sex work. If homelessness decreased and policing increased as occurred during the COVID-19 pandemic in 2020, the impact on violence is negligible, decreasing by 0.7% (8.7% decrease-4.1% increase). Increasing housing and reducing policing among street-based sex workers could substantially reduce violence, but large changes are needed.
Synthesis and characterization of magnesium ferrite-activated carbon composites derived from orange peels for enhanced supercapacitor performance
Authors: Salama Reda.S. , Gouda Mostafa S. , Aboud Mohamed F. Aly , Alshorifi Fares T. , El-Hallag A. A. , Badawi Ahmad K.
Published: April 2024

Supercapacitors have emerged as highly efficient energy storage devices, relying on electrochemical processes. The performance of these devices can be influenced by several factors, with key considerations including the selection of electrode materials and the type of electrolyte utilized. Transition metal oxide electrodes are commonly used in supercapacitors, as they greatly influence the electrochemical performance of these devices. Nonetheless, ferrites' low energy density poses a limitation. Hence, it is crucial to create electrode materials featuring unique and distinct structures, while also exploring the ideal electrolyte types, to enhance the electrochemical performance of supercapacitors incorporating magnesium ferrites (MF). In this study, we effectively prepared magnesium ferrites (MgFe2O4) supported on activated carbon (AC) derived from orange peels (OP) using a simple hydrothermal method. The resulting blends underwent comprehensive characterization employing various methods, including FTIR, XRD, TEM, SEM, EDX, and mapping analysis. Moreover, the electrochemical performance of MgFe2O4@AC composites was evaluated using GCD and CV techniques. Remarkably, the MF45-AC electrode material showed exceptional electrochemical behavior, demonstrating a specific capacitance of 870 F·g−1 within current density of 1.0 A g−1 and potential windows spanning from 0 to 0.5 V. Additionally, the prepared electrodes displayed exceptional cycling stability, with AC, MF, and MF45-AC retaining 89.6%, 94.2%, and 95.1% of their initial specific capacitance, respectively, even after 5000 cycles. These findings underscore the potential of MF-AC composites as superior electrode materials for supercapacitors. The development of such composites, combined with tailored electrolyte concentrations, holds significant promise for advancing the electrochemical performance and energy density of supercapacitor devices.
Changes in responses of the amygdala and hippocampus during fear conditioning are associated with persecutory beliefs
Authors: Deng Wisteria , Tuominen Lauri , Sussman Rachel , Leathem Logan , Vinke Louis N. , Holt Daphne J.
Published: April 2024

The persecutory delusion is the most common symptom of psychosis, yet its underlying neurobiological mechanisms are poorly understood. Prior studies have suggested that abnormalities in medial temporal lobe-dependent associative learning may contribute to this symptom. In the current study, this hypothesis was tested in a non-clinical sample of young adults without histories of psychiatric treatment (n = 64), who underwent classical Pavlovian fear conditioning while fMRI data were collected. During the fear conditioning procedure, participants viewed images of faces which were paired (the CS+) or not paired (the CS−) with an aversive stimulus (a mild electrical shock). Fear conditioning-related neural responses were measured in two medial temporal lobe regions, the amygdala and hippocampus, and in other closely connected brain regions of the salience and default networks. The participants without persecutory beliefs (n = 43) showed greater responses to the CS− compared to the CS+ in the right amygdala and hippocampus, while the participants with persecutory beliefs (n = 21) failed to exhibit this response. These between-group differences were not accounted for by symptoms of depression, anxiety or a psychosis risk syndrome. However, the severity of subclinical psychotic symptoms overall was correlated with the level of this aberrant response in the amygdala (p = .013) and hippocampus (p = .033). Thus, these findings provide evidence for a disruption of medial temporal lobe-dependent associative learning in young people with subclinical psychotic symptoms, specifically persecutory thinking.
An optical system to detect, surveil, and kill flying insect vectors of human and crop pathogens
Authors: Patt Joseph M. , Makagon Arty , Norton Bryan , Marvit Maclen , Rutschman Phillip , Neligeorge Matt , Salesin Jeremy
Published: April 2024

Sustainable and effective means to control flying insect vectors are critically needed, especially with widespread insecticide resistance and global climate change. Understanding and controlling vectors requires accurate information about their movement and activity, which is often lacking. The Photonic Fence (PF) is an optical system that uses machine vision, infrared light, and lasers to identify, track, and interdict vectors in flight. The PF examines an insect’s outline, flight speed, and other flight parameters and if these match those of a targeted vector species, then a low-power, retina-safe laser kills it. We report on proof-of-concept tests of a large, field-sized PF (30 mL × 3 mH) conducted withAedes aegypti, a mosquito that transmits dangerous arboviruses, andDiaphorina citri, a psyllid which transmits the fatal huanglongbing disease of citrus. In tests with the laser engaged, < 1% and 3% ofA.aegyptiandD.citri, respectfully, were recovered versus a 38% and 19% recovery when the lacer was silenced. The PF tracked, but did not intercept the orchid bee,Euglossa dilemma. The system effectively intercepted flying vectors, but not bees, at a distance of 30 m, heralding the use of photonic energy, rather than chemicals, to control flying vectors.
Evaluation of sensitivity and specificity of Kato-Katz and circulating cathodic antigen in terms of Schistosoma japonicum using latent class analysis
Authors: Moon Mugyeom , Wu Hannah W. , Jiz Mario , Maldonado Stephanie , Kurtis Jonathan D. , Friedman Jennifer F. , Jarilla Blanca , Park Sangshin
Published: April 2024

Schistosoma japonicum is endemic in the Philippines. The Kato-Katz (KK) method was used to diagnose S. japonicum. This is impractical, particularly when the sample size is limited. Knowledge on point-of-care circulating cathodic antigen (CCA) test performance for S. japonicum is limited. Determining the sensitivity and specificity of new diagnostics is difficult when the gold standard test is less effective or absent. Latent class analysis (LCA) can address some limitations. A total of 484 children and 572 adults from the Philippines were screened for S. japonicum. We performed Bayesian LCA to estimate the infection prevalence, sensitivity and specificity of each test by stratifying them into two age groups. Observed prevalence assessed by KK was 50.2% and 31.8%, and by CCA was 89.9% and 66.8%, respectively. Using Bayesian LCA, among children, the sensitivity and specificity of CCA were 94.8% (88.7–99.4) and 21.5% (10.5–36.1) while those of KK were 66.0% (54.2–83.3) and 78.1% (61.1–91.3). Among adults, the sensitivity and specificity of CCA were 86.4% (76.6–96.9) and 62.8% (49.1–81.1) while those of KK were 43.6% (35.1–53.9) and 85.5% (75.8–94.6). Overall, CCA was more sensitive than KK, regardless of the age group at diagnosis, as KK was more specific. KK and CCA have different diagnostic performance, which should inform their use in the planning and implementation of S. japonicum control programs.
Machine learning accelerates pharmacophore-based virtual screening of MAO inhibitors
Authors: Cieślak Marcin , Danel Tomasz , Krzysztyńska-Kuleta Olga , Kalinowska-Tłuścik Justyna
Published: April 2024

Nowadays, an efficient and robust virtual screening procedure is crucial in the drug discovery process, especially when performed on large and chemically diverse databases. Virtual screening methods, like molecular docking and classic QSAR models, are limited in their ability to handle vast numbers of compounds and to learn from scarce data, respectively. In this study, we introduce a universal methodology that uses a machine learning-based approach to predict docking scores without the need for time-consuming molecular docking procedures. The developed protocol yielded 1000 times faster binding energy predictions than classical docking-based screening. The proposed predictive model learns from docking results, allowing users to choose their preferred docking software without relying on insufficient and incoherent experimental activity data. The methodology described employs multiple types of molecular fingerprints and descriptors to construct an ensemble model that further reduces prediction errors and is capable of delivering highly precise docking score values for monoamine oxidase ligands, enabling faster identification of promising compounds. An extensive pharmacophore-constrained screening of the ZINC database resulted in a selection of 24 compounds that were synthesized and evaluated for their biological activity. A preliminary screen discovered weak inhibitors of MAO-A with a percentage efficiency index close to a known drug at the lowest tested concentration. The approach presented here can be successfully applied to other biological targets as target-specific knowledge is not incorporated at the screening phase.
Acoustic stimulation of the human round window by laser-induced nonlinear optoacoustics
Authors: Lengert Liza , Tomanek Michael , Ghoncheh Mohammad , Lohmann Hinnerk , Prenzler Nils , Kalies Stefan , Johannsmeier Sonja , Ripken Tammo , Heisterkamp Alexander , Maier Hannes
Published: April 2024

The feasibility of low frequency pure tone generation in the inner ear by laser-induced nonlinear optoacoustic effect at the round window was demonstrated in three human cadaveric temporal bones (TB) using an integral pulse density modulation (IPDM). Nanosecond laser pulses with a wavelength in the near-infrared (NIR) region were delivered to the round window niche by an optical fiber with two spherical lenses glued to the end and a viscous gel at the site of the laser focus. Using IPDM, acoustic tones with frequencies between 20 Hz and 1 kHz were generated in the inner ear. The sound pressures in scala tympani and vestibuli were recorded and the intracochlear pressure difference (ICPD) was used to calculate the equivalent sound pressure level (eq. dB SPL) as an equivalent for perceived loudness. The results demonstrate that the optoacoustic effect produced sound pressure levels ranging from 140 eq. dB SPL at low frequencies ≤ 200 Hz to 90 eq. dB SPL at 1 kHz. Therefore, the produced sound pressure level is potentially sufficient for patients requiring acoustic low frequency stimulation. Hence, the presented method offers a potentially viable solution in the future to provide the acoustic stimulus component in combined electro-acoustic stimulation with a cochlear implant.
Psychoacoustic and electroencephalographic responses to changes in amplitude modulation depth and frequency in relation to speech recognition in cochlear implantees
Authors: Aldag Nina , Nogueira Waldo
Published: April 2024

Temporal envelope modulations (TEMs) are one of the most important features that cochlear implant (CI) users rely on to understand speech. Electroencephalographic assessment of TEM encoding could help clinicians to predict speech recognition more objectively, even in patients unable to provide active feedback. The acoustic change complex (ACC) and the auditory steady-state response (ASSR) evoked by low-frequency amplitude-modulated pulse trains can be used to assess TEM encoding with electrical stimulation of individual CI electrodes. In this study, we focused on amplitude modulation detection (AMD) and amplitude modulation frequency discrimination (AMFD) with stimulation of a basal versus an apical electrode. In twelve adult CI users, we (a) assessed behavioral AMFD thresholds and (b) recorded cortical auditory evoked potentials (CAEPs), AMD-ACC, AMFD-ACC, and ASSR in a combined 3-stimulus paradigm. We found that the electrophysiological responses were significantly higher for apical than for basal stimulation. Peak amplitudes of AMFD-ACC were small and (therefore) did not correlate with speech-in-noise recognition. We found significant correlations between speech-in-noise recognition and (a) behavioral AMFD thresholds and (b) AMD-ACC peak amplitudes. AMD and AMFD hold potential to develop a clinically applicable tool for assessing TEM encoding to predict speech recognition in CI users.
How to experimentally evaluate the adiabatic condition for quantum annealing
Authors: Mori Yuichiro , Kawabata Shiro , Matsuzaki Yuichiro
Published: April 2024

We propose an experimental method for evaluating the adiabatic condition during quantum annealing (QA), which will be essential for solving practical problems. The adiabatic condition consists of the transition matrix element and the energy gap, and our method simultaneously provides information about these components without diagonalizing the Hamiltonian. The key idea is to measure the power spectrum of a time domain signal by adding an oscillating field during QA, and we can estimate the values of the transition matrix element and energy gap from the measurement output. Our results provides a powerful experimental basis for analyzing the performance of QA.
Plasmodium falciparum pfhrp2 and pfhrp3 gene deletions among patients enrolled at 100 health facilities throughout Tanzania: February to July 2021
Authors: Rogier Eric , Battle Nastassia , Bakari Catherine , Seth Misago D. , Nace Douglas , Herman Camelia , Barakoti Achut , Madebe Rashid A. , Mandara Celine I. , Lyimo Beatus M. , Giesbrecht David J. , Popkin-Hall Zachary R. , Francis Filbert , Mbwambo Daniel , Garimo Issa , Aaron Sijenunu , Lusasi Abdallah , Molteni Fabrizio , Njau Ritha , Cunningham Jane A. , Lazaro Samwel , Mohamed Ally , Juliano Jonathan J. , Bailey Jeffrey A. , Udhayakumar Venkatachalam , Ishengoma Deus S.
Published: April 2024

Plasmodium falciparum with the histidine rich protein 2 gene (pfhrp2) deleted from its genome can escape diagnosis by HRP2-based rapid diagnostic tests (HRP2-RDTs). The World Health Organization (WHO) recommends switching to a non-HRP2 RDT for P. falciparum clinical case diagnosis when pfhrp2 deletion prevalence causes ≥ 5% of RDTs to return false negative results. Tanzania is a country of heterogenous P. falciparum transmission, with some regions approaching elimination and others at varying levels of control. In concordance with the current recommended WHO pfhrp2 deletion surveillance strategy, 100 health facilities encompassing 10 regions of Tanzania enrolled malaria-suspected patients between February and July 2021. Of 7863 persons of all ages enrolled and providing RDT result and blood sample, 3777 (48.0%) were positive by the national RDT testing for Plasmodium lactate dehydrogenase (pLDH) and/or HRP2. A second RDT testing specifically for the P. falciparum LDH (Pf-pLDH) antigen found 95 persons (2.5% of all RDT positives) were positive, though negative by the national RDT for HRP2, and were selected for pfhrp2 and pfhrp3 (pfhrp2/3) genotyping. Multiplex antigen detection by laboratory bead assay found 135/7847 (1.7%) of all blood samples positive for Plasmodium antigens but very low or no HRP2, and these were selected for genotyping as well. Of the samples selected for genotyping based on RDT or laboratory multiplex result, 158 were P. falciparum DNA positive, and 140 had sufficient DNA to be genotyped for pfhrp2/3. Most of these (125/140) were found to be pfhrp2+/pfhrp3+, with smaller numbers deleted for only pfhrp2 (n = 9) or only pfhrp3 (n = 6). No dual pfhrp2/3 deleted parasites were observed. This survey found that parasites with these gene deletions are rare in Tanzania, and estimated that 0.24% (95% confidence interval: 0.08% to 0.39%) of false-negative HRP2-RDTs for symptomatic persons were due to pfhrp2 deletions in this 2021 Tanzania survey. These data provide evidence for HRP2-based diagnostics as currently accurate for P. falciparum diagnosis in Tanzania.
Applications of Nano-biofuel cells for Reiner-Philippoff nanoparticles with higher order slip effects
Authors: Aldabesh Abdulmajeed D. , Tlili Iskander
Published: April 2024

Owing to advanced thermal features and stable properties, scientists have presented many novel applications of nanomaterials in the energy sectors, heat control devices, cooling phenomenon and many biomedical applications. The suspension between nanomaterials with microorganisms is important in biotechnology and food sciences. With such motivations, the aim of current research is to examine the bioconvective thermal phenomenon due to Reiner–Philippoff nanofluid under the consideration of multiple slip effects. The assessment of heat transfer is further predicted with temperature dependent thermal conductivity. The radiative phenomenon and chemical reaction is also incorporated. The stretched surface with permeability of porous space is assumed to be source of flow. With defined flow constraints, the mathematical model is developed. For solution methodology, the numerical simulations are worked out via shooting technique. The physical aspects of parameters are discussed. It is claimed that suggested results claim applications in the petroleum sciences, thermal systems, heat transfer devices etc. It has been claimed that the velocity profile increases due to Bingham parameter and Philippoff constant. Lower heat and mass transfer impact is observed due to Philippoff parameter.
Synthesis and characterization of an innovative sodium alginate/polyvinyl alcohol bioartificial hydrogel for forward-osmosis desalination
Authors: Saad Menatalla Ashraf , Sadik Eman Radi , Eldakiky Basma Mohamed , Moustafa Hanan , Fadl Eman , He Zhen , Elashtoukhy Elsayed Zakaria , Khalifa Randa Eslah , Zewail Taghreed Mohamed Mohamed
Published: April 2024

Recently, hydrogels have been widely applied as draw agents in forward osmosis (FO) desalination. This work aims to synthesize bioartificial hydrogel from a blend of sodium alginate (SA) and polyvinyl alcohol (PVA) using epichlorohydrin (ECH) as a crosslinker. Then this prepared hydrogel was applied as a draw agent with cellulose triacetate membrane in a batch (FO) cell. The effects of the PVA content in the polymer blend and the crosslinker dose on the hydrogel’s swelling capacity were investigated to optimize the hydrogel’s composition. Furthermore, the water flux and the reverse solute flux of the optimum SA/PVA hydrogel were evaluated in a batch (FO) unit under the effect of the hydrogel’s particle size, feed solution (FS) temperature, FS concentration, and membrane orientation. Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), X-ray diffraction (XRD) and compression strength tests were used to characterize the prepared hydrogel. Results revealed that the equilibrium swelling ratio (%) of 5228 was achieved with a hydrogel that had 25% PVA and a crosslinking ratio of 0.8. FO experiments revealed that the maximum water flux of 0.845 LMH achieved, when distilled water was used as FS, average hydrogel’s particle size was 60 µm, and the FS temperature was 40 °C.
Psychological flexibility and cognitive-affective processes in young adults’ daily lives
Authors: Westhoff Marlon , Heshmati Saida , Siepe Björn , Vogelbacher Christoph , Ciarrochi Joseph , Hayes Steven C. , Hofmann Stefan G.
Published: April 2024

Psychological flexibility plays a crucial role in how young adults adapt to their evolving cognitive and emotional landscapes. Our study investigated a core aspect of psychological flexibility in young adults: adaptive variability and maladaptive rigidity in the capacity for behavior change. We examined the interplay of these elements with cognitive-affective processes within a dynamic network, uncovering their manifestation in everyday life. Through an Ecological Momentary Assessment design, we collected intensive longitudinal data over 3 weeks from 114 young adults ages 19 to 32. Using a dynamic network approach, we assessed the temporal dynamics and individual variability in flexibility in relation to cognitive-affective processes in this sample. Rigidity exhibited the strongest directed association with other variables in the temporal network as well as highest strength centrality, demonstrating particularly strong associations to other variables in the contemporaneous network. In conclusion, the results of this study suggest that rigidity in young adults is associated with negative affect and cognitions at the same time point and the immediate future.
DFT/TDDFT calculations of geometry optimization, electronic structure and spectral properties of clevudine and telbivudine for treatment of chronic hepatitis B
Authors: Tegegn Dereje Fedasa , Belachew Habtamu Zewude , Salau Ayodeji Olalekan
Published: April 2024

Chronic hepatitis B remains a worldwide health concern. Presently, many drugs, such as Clevudine and Telbivudine, are recommended for the treatment of chronic hepatitis B disease. For this purpose, the quantum chemical analysis of ELUMO-HOMO (Egap), ionization potential (IP), electron affinity (EA), electronegativity (EN), chemical hardness (η), chemical potential (μ), chemical softness (S), electrophilicity index (ω), electron accepting capability (ω+), electron-donating capability (ω-), Nucleophilicity index (N), additional electronic charge (∆Nmax), Optical softness (σ0) and Dipole Moment, IR and UV–Vis spectra, molecular electrostatic potential (MEP) profile, Mulliken charge analysis, natural bond orbital (NBO) were examined in this study. The dipole moment of the compounds suggests their binding pose and predicted binding affinity. The electrophilic and nucleophilic regions were identified, and techniques such as NBO, UV–Vis, and IR were used to gain insights into the molecular structure, electronic transitions, and potential drug design for Hepatitis B treatment. Calculations for this study were carried out using the Gaussian 09 program package coupled with the DFT/TDDFT technique. The hybrid B3LYP functional method and the 6-311++G(d, p) basis set were used for the calculations.
Influence of autistic traits and communication role on eye contact behavior during face-to-face interaction
Authors: Thorsson Max , Galazka Martyna A. , Åsberg Johnels Jakob , Hadjikhani Nouchine
Published: April 2024

Eye contact is a central component in face-to-face interactions. It is important in structuring communicative exchanges and offers critical insights into others' interests and intentions. To better understand eye contact in face-to-face interactions, we applied a novel, non-intrusive deep-learning-based dual-camera system and investigated associations between eye contact and autistic traits as well as self-reported eye contact discomfort during a referential communication task, where participants and the experimenter had to guess, in turn, a word known by the other individual. Corroborating previous research, we found that participants’ eye gaze and mutual eye contact were inversely related to autistic traits. In addition, our findings revealed different behaviors depending on the role in the dyad: listening and guessing were associated with increased eye contact compared with describing words. In the listening and guessing condition, only a subgroup who reported eye contact discomfort had a lower amount of eye gaze and eye contact. When describing words, higher autistic traits were associated with reduced eye gaze and eye contact. Our data indicate that eye contact is inversely associated with autistic traits when describing words, and that eye gaze is modulated by the communicative role in a conversation.
CircSNX6 promotes proliferation, metastasis, and angiogenesis in hepatocellular carcinoma via miR-383-5p/VEGFA signaling pathway
Authors: Tian Yuan , Han Wenwen , Lv Kaiji , Fu Long , Zhou Xinhua
Published: April 2024

The role of circular RNA (circRNAs) in hepatocellular carcinoma (HCC) has been extensively studied. Previous research has highlighted the regulatory role of circSNX6 in HCC cells and tissues. However, the precise mechanism underlying HCC progression still requires comprehensive investigation. The study initially utilized quantitative reverse transcription-polymerase chain reaction (qRT-PCR) to assess circSNX6 expression levels in HCC cell lines and tissues. Subsequently, the stability of circRNA was evaluated through Ribonuclease R and actinomycin D treatment assays. The impact of circSNX6 knockdown on proliferation, migration, invasion, and angiogenesis abilities was determined using various assays including colony formation, Transwell culture system, tube formation assay, and cell counting kit (CCK)-8 assays. Additionally, RNA immunoprecipitation chip and dual-luciferase reporter assays were employed to investigate the interactions between circSNX6 and miR-383-5p. Finally, an HCC xenograft tumor model in mice was established to assess the in vivo expression of circSNX6 and its functional role in HCC. Our findings revealed an elevated circSNX6 expression in HCC tissues, which was correlated with poor patient prognosis. Knockdown of circSNX6 suppressed HCC cell growth, invasion, metastasis, and angiogenesis. The downregulation of miR-383-5p, a target of circSNX6, significantly attenuated the tumor-suppressive effects induced by circSNX6 knockdown. Moreover, circSNX6 was found to modulate VEGFA expression by targeting miR-383-5p. The inhibition of HCC cell proliferation by miR-383-5p could be partially reversed by overexpressing VEGFA. Silencing circSNX6 also suppressed tumor formation and the metastasis of HCC cells in a mouse model. In summary, our findings suggest that circSNX6 promotes cell proliferation, metastasis, and angiogenesis in HCC by regulating the miR-383-5p/VEGFA pathway.
Effect of an exercise-based cardiac rehabilitation program on quality of life of patients with chronic Chagas cardiomyopathy: results from the PEACH randomized clinical trial
Authors: Vieira Marcelo Carvalho , Mendes Fernanda de Souza Nogueira Sardinha , da Silva Paula Simplício , da Silva Gilberto Marcelo Sperandio , Mazzoli-Rocha Flavia , de Sousa Andrea Silvestre , Saraiva Roberto Magalhães , de Holanda Marcelo Teixeira , Kasal Daniel Arthur Barata , Costa Henrique Silveira , Borges Juliana Pereira , Reis Michel Silva , Rodrigues Junior Luiz Fernando , Hasslocher-Moreno Alejandro Marcel , do Brasil Pedro Emmanuel Alvarenga Americano , Mediano Mauro Felippe Felix
Published: April 2024

To investigate the effect of an exercise-based cardiac rehabilitation program on the quality of life (QoL) of patients with chronic Chagas cardiomyopathy (CCC). PEACH study was a single-center, superiority randomized clinical trial of exercise training versus no exercise (control). The sample comprised Chagas disease patients with CCC, left ventricular ejection fraction < 45%, without or with HF symptoms (CCC stages B2 or C, respectively). QoL was assessed at baseline, after three months, and at the end of six months of follow-up using the SF-36 questionnaire. Patients randomized for the exercise group (n = 15) performed exercise training (aerobic, strength and stretching exercises) for 60 min, three times a week, during six months. Patients in the control group (n = 15) were not provided with a formal exercise prescription. Both groups received identical nutritional and pharmaceutical counseling during the study. Longitudinal analysis of the effects of exercise training on QoL, considering the interaction term (group × time) to estimate the rate of changes between groups in the outcomes (represented as beta coefficient), was performed using linear mixed models. Models were fitted adjusting for each respective baseline QoL value. There were significant improvements in physical functioning (β =  + 10.7; p = 0.02), role limitations due to physical problems (β =  + 25.0; p = 0.01), and social functioning (β =  + 19.2; p < 0.01) scales during the first three months in the exercise compared to the control group. No significant differences were observed between groups after six months. Exercise-based cardiac rehabilitation provided short-term improvements in the physical and mental aspects of QoL of patients with CCC.

Trial registration: ClinicalTrials.gov Identifier: NCT02517632; August 7, 2015.
Mapping the race between crop phenology and climate risks for wheat in France under climate change
Authors: Le Roux Renan , Furusho-Percot Carina , Deswarte Jean-Charles , Bancal Marie-Odile , Chenu Karine , de Noblet-Ducoudré Nathalie , de Cortázar-Atauri Iñaki García , Durand Alexis , Bulut Burak , Maury Olivier , Décome Jérémie , Launay Marie
Published: April 2024

Climate change threatens food security by affecting the productivity of major cereal crops. To date, agroclimatic risk projections through indicators have focused on expected hazards exposure during the crop’s current vulnerable seasons, without considering the non-stationarity of their phenology under evolving climatic conditions. We propose a new method for spatially classifying agroclimatic risks for wheat, combining high-resolution climatic data with a wheat’s phenological model. The method is implemented for French wheat involving three GCM-RCM model pairs and two emission scenarios. We found that the precocity of phenological stages allows wheat to avoid periods of water deficit in the near future. Nevertheless, in the coming decades the emergence of heat stress and increasing water deficit will deteriorate wheat cultivation over the French territory. Projections show the appearance of combined risks of heat and water deficit up to 4 years per decade under the RCP 8.5 scenario. The proposed method provides a deep level of information that enables regional adaptation strategies: the nature of the risk, its temporal and spatial occurrence, and its potential combination with other risks. It’s a first step towards identifying potential sites for breeding crop varieties to increase the resilience of agricultural systems.
Succession of medico-legal important flesh flies (Diptera: Sarcophagidae) in the temporal gradient of pig decomposition in the Brazilian Cerrado
Authors: de Almeida Silva José Orlando , da Silva Carvalho-Filho Fernando , Brasil Leandro Schlemmer
Published: April 2024

Flies belonging to the Sarcophagidae family play a significant role in forensic investigations by aiding in the estimation of post-mortem interval through the assessment of the developmental time of their immature stages and/or the succession patterns of species on carcasses and cadavers. In this regard, this study aimed to investigate the ecological succession of these flies on pig carcasses within Cerrado of Brazil. The progression of fly succession was examined over a 10-day period using the Threshold Indicator Taxa Analysis (TITAN) approach. Six Z + species (Oxysarcodexia thornax (Walker), Peckia (Sarcodexia) lambens (Wiedemann), Peckia (Euboettcheria) collusor (Curran & Walley), Ravinia belforti (Prado & Fonseca), Tricharaea (Sarcophagula) canuta (Wulp) and Tricharaea (Sarcophagula) occidua (Fabricius)) were identified, with change points ranging from 2.5 to 3 days during the dry season and 2.5 to 5.5 days during the rainy season. Two Z−  species (Dexosarcophaga carvalhoi (Lopes) and Peckia (Sarcodexia) tridentata (Hall)) were present, with a change point of 6.5 days during the rainy season. This study provides a continuous analysis of the temporal succession of flies, enabling an investigation into species progression based on their change points and directions (Z + and Z− ), thereby offering methodological advancements to avoid the arbitrary categorization of inherently continuous data.
A solar cycle clock for extreme space weather
Authors: Chapman S. C. , Dudok de Wit T.
Published: April 2024

The variable solar cycle of activity is a long-standing problem in physics. It modulates the overall level of space weather activity at earth, which in turn can have significant societal impact. The Hilbert transform of the sunspot number is used to map the variable length, approximately 11 year Schwabe cycle onto a uniform clock. The clock is used to correlate extreme space weather seen in the aa index, the longest continuous geomagnetic record at earth, with the record of solar active region areas and latitudes since 1874. This shows that a clear switch-off of the most extreme space weather events occurs when $$>90$$

>
90

% of solar active region areas have moved to within about 15° of the solar equator, from regions of high gradient in solar differential rotation which can power coronal mass ejections, to a region where solar differential rotation is almost constant with latitude. More moderate space weather events which coincide with 27 day solar rotation recurrences in the aa index, consistent with stable, persistent source regions of high speed streams, commence when the centroid of solar active region areas moves to within 15° of the solar equator. This offers a physical explanation for the longstanding identification of a two component cycle of activity in the aa index.
Tubulin alpha-1b chain was identified as a prognosis and immune biomarker in pan-cancer combing with experimental validation in breast cancer
Authors: Wang Yiyang , Li Yongxiang , Jing Yubo , Yang Yuqi , Wang Haiyan , Ismtula Dilimulati , Guo Chenming
Published: April 2024

The α-tubulin subtype, Tubulin α-1b chain (TUBA1B), has been shown to influence immune cell infiltration, cancer growth, and survival across various malignancies. However, a comprehensive study has not yet been undertaken examining the immunological and predictive effects of TUBA1B in a pan-carcinoma context. Using data from TCGA, GEO, and other databases, we analyzed TUBA1B expression across various carcinoma types using transcriptional profiling, prognostic implications, genetic and epigenetic alterations, methylation patterns, and immunological significance. To validate our findings, we conducted Western blot analysis to assess TUBA1B protein levels in matched breast cancer tissue samples and performed CCK-8 proliferation assay, flow cytometry, transwell invasion, and migration assays to comprehensively examine the functional impact of TUBA1B on breast cancer cells. Our pan-cancer analysis found TUBA1B upregulation across most tumor types, with varying expression patterns in distinct immune and molecular subtypes. High TUBA1B expression was an independent risk factor and associated with poor prognoses in several cancers, including BRCA, KICH, LGG, LUAD, and MESO. TUBA1B also demonstrates moderate to high diagnostic accuracy in most tumor types. Increased m6A methylation levels were observed in the TUBA1B gene, while its promoter region displayed low methylation levels. TUBA1B's expression impacted some cancers by elevating tumor mutation burden, microsatellite instability, neoantigen formation, immune cell infiltration, and the modulation of immune checkpoints. Functional enrichment analysis highlights TUBA1B’s involvement in important cellular processes such as the cell cycle, p53 signaling, cell senescence, programmed cell death, and the regulation of immune-related pathways. Moreover, our study reveals higher TUBA1B protein expression in breast cancer tissues compared to adjacent tissues. In vitro experiments confirm that TUBA1B deletion reduces breast cancer cell proliferation, invasion, and migration while increasing apoptosis. In conclusion, our study suggests that TUBA1B could potentially serve as a diagnostic marker for predicting cancer immunological profiles and survival outcomes and shed light on the expression and role of TUBA1B in breast cancer, providing a solid foundation for considering it as a promising therapeutic target for breast cancer patient treatment.
Predicting the effect of chemicals on fruit using graph neural networks
Authors: Han Junming , Li Tong , He Yun , Yang Ziyi
Published: April 2024

The neural network method is a type of machine learning that has made significant advances over the past few years in a variety of fields, particularly text, speech, images, videos, etc. In areas where data is unstructured, traditional machine learning has not been able to surpass the ’glass ceiling’; therefore, researchers have turned to neural networks as auxiliary tools to achieve significant breakthroughs or develop new research methods. An array of computational chemistry challenges can be addressed using neural networks, including virtual screening, quantitative structure-activity relationships, protein structure prediction, materials design, quantum chemistry, and property prediction, among others. This paper proposes a strategy for predicting the chemical properties of fruits by using graph neural networks, and it aims to provide some guidance to researchers and streamline the identification process.
Selective impact of ALK and MELK inhibition on ERα stability and cell proliferation in cell lines representing distinct molecular phenotypes of breast cancer
Authors: Bartoloni Stefania , Pescatori Sara , Bianchi Fabrizio , Cipolletti Manuela , Acconcia Filippo
Published: April 2024

Breast cancer (BC) is a leading cause of global cancer-related mortality in women, necessitating accurate tumor classification for timely intervention. Molecular and histological factors, including PAM50 classification, estrogen receptor α (ERα), breast cancer type 1 susceptibility protein (BRCA1), progesterone receptor (PR), and HER2 expression, contribute to intricate BC subtyping. In this work, through a combination of bioinformatic and wet lab screenings, followed by classical signal transduction and cell proliferation methods, and employing multiple BC cell lines, we identified enhanced sensitivity of ERα-positive BC cell lines to ALK and MELK inhibitors, inducing ERα degradation and diminishing proliferation in specific BC subtypes. MELK inhibition attenuated ERα transcriptional activity, impeding E2-induced gene expression, and hampering proliferation in MCF-7 cells. Synergies between MELK inhibition with 4OH-tamoxifen (Tam) and ALK inhibition with HER2 inhibitors revealed potential therapeutic avenues for ERα-positive/PR-positive/HER2-negative and ERα-positive/PR-negative/HER2-positive tumors, respectively. Our findings propose MELK as a promising target for ERα-positive/PR-positive/HER2-negative BC and highlight ALK as a potential focus for ERα-positive/PR-negative/HER2-positive BC. The synergistic anti-proliferative effects of MELK with Tam and ALK with HER2 inhibitors underscore kinase inhibitors’ potential for selective treatment in diverse BC subtypes, paving the way for personalized and effective therapeutic strategies in BC management.
Machine learning-based detection of acute psychosocial stress from body posture and movements
Authors: Richer Robert , Koch Veronika , Abel Luca , Hauck Felicitas , Kurz Miriam , Ringgold Veronika , Müller Victoria , Küderle Arne , Schindler-Gmelch Lena , Eskofier Bjoern M. , Rohleder Nicolas
Published: April 2024

Investigating acute stress responses is crucial to understanding the underlying mechanisms of stress. Current stress assessment methods include self-reports that can be biased and biomarkers that are often based on complex laboratory procedures. A promising additional modality for stress assessment might be the observation of body movements, which are affected by negative emotions and threatening situations. In this paper, we investigated the relationship between acute psychosocial stress induction and body posture and movements. We collected motion data from N = 59 individuals over two studies (Pilot Study: N = 20, Main Study: N = 39) using inertial measurement unit (IMU)-based motion capture suits. In both studies, individuals underwent the Trier Social Stress Test (TSST) and a stress-free control condition (friendly-TSST; f-TSST) in randomized order. Our results show that acute stress induction leads to a reproducible freezing behavior, characterized by less overall motion as well as more and longer periods of no movement. Based on these data, we trained machine learning pipelines to detect acute stress solely from movement information, achieving an accuracy of $${75.0 \pm 17.7}{\%}$$

75.0
±
17.7

%

(Pilot Study) and $${73.4 \pm 7.7}{\%}$$

73.4
±
7.7

%

(Main Study). This, for the first time, suggests that body posture and movements can be used to detect whether individuals are exposed to acute psychosocial stress. While more studies are needed to further validate our approach, we are convinced that motion information can be a valuable extension to the existing biomarkers and can help to obtain a more holistic picture of the human stress response. Our work is the first to systematically explore the use of full-body body posture and movement to gain novel insights into the human stress response and its effects on the body and mind.
Bacteriophages from human skin infecting coagulase-negative Staphylococcus: diversity, novelty and host resistance
Authors: Alsaadi Samah E. , Lu Hanshuo , Zhang Minxing , Dykes Gregory F. , Allison Heather E. , Horsburgh Malcolm J.
Published: April 2024

The human skin microbiome comprises diverse populations that differ temporally between body sites and individuals. The virome is a less studied component of the skin microbiome and the study of bacteriophages is required to increase knowledge of the modulation and stability of bacterial communities. Staphylococcus species are among the most abundant colonisers of skin and are associated with both health and disease yet the bacteriophages infecting the most abundant species on skin are less well studied. Here, we report the isolation and genome sequencing of 40 bacteriophages from human skin swabs that infect coagulase-negative Staphylococcus (CoNS) species, which extends our knowledge of phage diversity. Six genetic clusters of phages were identified with two clusters representing novel phages, one of which we characterise and name Alsa phage. We identified that Alsa phages have a greater ability to infect the species S. hominis that was otherwise infected less than other CoNS species by the isolated phages, indicating an undescribed barrier to phage infection that could be in part due to numerous restriction-modification systems. The extended diversity of Staphylococcus phages here enables further research to define their contribution to skin microbiome research and the mechanisms that limit phage infection.