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Nature Communications May 2024The fundamental properties of an exciton are determined by the spin, valley, energy, and spatial wavefunctions of the Coulomb-bound electron and hole. In van der Waals...
The fundamental properties of an exciton are determined by the spin, valley, energy, and spatial wavefunctions of the Coulomb-bound electron and hole. In van der Waals materials, these attributes can be widely engineered through layer stacking configuration to create highly tunable interlayer excitons with static out-of-plane electric dipoles, at the expense of the strength of the oscillating in-plane dipole responsible for light-matter coupling. Here we show that interlayer excitons in bi- and tri-layer 2H-MoSe crystals exhibit electric-field-driven coupling with the ground (1s) and excited states (2s) of the intralayer A excitons. We demonstrate that the hybrid states of these distinct exciton species provide strong oscillator strength, large permanent dipoles (up to 0.73 ± 0.01 enm), high energy tunability (up to ~200 meV), and full control of the spin and valley characteristics such that the exciton g-factor can be manipulated over a large range (from -4 to +14). Further, we observe the bi- and tri-layer excited state (2s) interlayer excitons and their coupling with the intralayer excitons states (1s and 2s). Our results, in good agreement with a coupled oscillator model with spin (layer)-selectivity and beyond standard density functional theory calculations, promote multilayer 2H-MoSe as a highly tunable platform to explore exciton-exciton interactions with strong light-matter interactions.
PubMed: 38782967
DOI: 10.1038/s41467-024-48476-x -
PloS One 2024This study examines the socioeconomic impact of the COVID-19 pandemic and the sufficiency of government support. Based on an online survey with 920 respondents, the...
This study examines the socioeconomic impact of the COVID-19 pandemic and the sufficiency of government support. Based on an online survey with 920 respondents, the cross-tabulation and binary logistic regression results show: firstly, in terms of loss of income, male respondents are more likely to have a loss of income as compared to female counterparts, and secondly, among different categories of employment status, the self-employed respondents are the most vulnerable group, given that more than 20 percent of them experienced loss of income due to the COVID-19 pandemic. Moreover, respondents working in small-and-medium enterprises (SMEs) and the informal sector are more likely to face loss of income as compared to respondents working in other sectors of employment. Likewise, respondents without tertiary education level are more likely to have a loss of income as compared to respondents with university certification. The baseline results highlight the insufficiency of government financial support programs based on the perspective of Malaysians from different demographic backgrounds. As a policy implication, the findings could guide the State in formulating the right policies for target groups who need more assistance than others in the community.
Topics: Humans; COVID-19; Male; Female; Adult; Retrospective Studies; Middle Aged; Pandemics; Socioeconomic Factors; Government; Income; Employment; Financial Support; SARS-CoV-2; Surveys and Questionnaires; Financing, Government; Young Adult
PubMed: 38781248
DOI: 10.1371/journal.pone.0302979 -
Frontiers in Oncology 2024Detailed and invasive clinical investigations are required to identify the causes of haematuria. Highly unbalanced patient population (predominantly male) and a wide...
BACKGROUND
Detailed and invasive clinical investigations are required to identify the causes of haematuria. Highly unbalanced patient population (predominantly male) and a wide range of potential causes make the ability to correctly classify patients and identify patient-specific biomarkers a major challenge. Studies have shown that it is possible to improve the diagnosis using multi-marker analysis, even in unbalanced datasets, by applying advanced analytical methods. Here, we applied several machine learning algorithms to classify patients from the haematuria patient cohort (HaBio) by analysing multiple biomarkers and to identify the most relevant ones.
MATERIALS AND METHODS
We applied several classification and feature selection methods (k-means clustering, decision trees, random forest with LIME explainer and CACTUS algorithm) to stratify patients into two groups: healthy (with no clear cause of haematuria) or sick (with an identified cause of haematuria e.g., bladder cancer, or infection). The classification performance of the models was compared. Biomarkers identified as important by the algorithms were also analysed in relation to their involvement in the pathological processes.
RESULTS
Results showed that a high unbalance in the datasets significantly affected the classification by random forest and decision trees, leading to the overestimation of the sick class and low model performance. CACTUS algorithm was more robust to the unbalance in the dataset. CACTUS obtained a balanced accuracy of 0.747 for both genders, 0.718 for females and 0.803 for males. The analysis showed that in the classification process for the whole dataset: microalbumin, male gender, and tPSA emerged as the most informative biomarkers. For males: age, microalbumin, tPSA, cystatin C, BTA, HAD and S100A4 were the most significant biomarkers while for females microalbumin, IL-8, pERK, and CXCL16.
CONCLUSIONS
CACTUS algorithm demonstrated improved performance compared with other methods such as decision trees and random forest. Additionally, we identified the most relevant biomarkers for the specific patient group, which could be considered in the future as novel biomarkers for diagnosis. Our results have the potential to inform future research and provide new personalised diagnostic approaches tailored directly to the needs of the individuals.
PubMed: 38779086
DOI: 10.3389/fonc.2024.1401071 -
JACC. Advances Feb 2024Takotsubo syndrome is an increasingly common cardiac emergency with no known evidence-based treatment.
BACKGROUND
Takotsubo syndrome is an increasingly common cardiac emergency with no known evidence-based treatment.
OBJECTIVES
The purpose of this study was to investigate cardiovascular mortality and medication use after takotsubo syndrome.
METHODS
In a case-control study, all patients with takotsubo syndrome in Scotland between 2010 and 2017 (n = 620) were age, sex, and geographically matched to individuals in the general population (1:4, n = 2,480) and contemporaneous patients with acute myocardial infarction (1:1, n = 620). Electronic health record data linkage of mortality outcomes and drug prescribing were analyzed using Cox proportional hazard regression models.
RESULTS
Of the 3,720 study participants (mean age, 66 years; 91% women), 153 (25%) patients with takotsubo syndrome died over the median of 5.5 years follow-up. This exceeded mortality rates in the general population (N = 374 [15%]; HR: 1.78 [95% CI: 1.48-2.15], < 0.0001), especially for cardiovascular (HR: 2.47 [95% CI: 1.81-3.39], < 0.001) but also noncardiovascular (HR: 1.48 [95% CI: 1.16-1.87], = 0.002) deaths. Mortality rates were lower for patients with takotsubo syndrome than those with myocardial infarction (31%, 195/620; HR: 0.76 [95% CI: 0.62-0.94], = 0.012), which was attributable to lower rates of cardiovascular (HR: 0.61 [95% CI: 0.44-0.84], = 0.002) but not non-cardiovascular (HR: 0.92 [95% CI: 0.69-1.23], = 0.59) deaths. Despite comparable medications use, cardiovascular therapies were consistently associated with better survival in patients with myocardial infarction but not in those with takotsubo syndrome. Diuretic ( = 0.01), anti-inflammatory ( = 0.002), and psychotropic ( < 0.001) therapies were all associated with worse outcomes in patients with takotsubo syndrome.
CONCLUSIONS
In patients with takotsubo syndrome, cardiovascular mortality is the leading cause of death, and this is not associated with cardiovascular therapy use.
PubMed: 38774915
DOI: 10.1016/j.jacadv.2023.100797 -
Case Reports in Veterinary Medicine 2024Sternal luxation/dislocation is a rare condition and is most often the result of trauma. Medical and surgical management have been described, with scarce information...
Sternal luxation/dislocation is a rare condition and is most often the result of trauma. Medical and surgical management have been described, with scarce information regarding the best treatment option for these cases. A 1-year-old domestic shorthair cat was presented for severe sternal dislocation and a left humeral fracture. Given the displacement observed at the level of the sternum and pain associated, surgical stabilization was elected. A partial lung lobe hernia was identified during the open stabilization of the sternum. Management of the hernia and sternal luxation stabilization were performed with the aid of video-assisted thoracoscopy. The cat recovered uneventfully, and no postoperative complications were reported.
PubMed: 38774560
DOI: 10.1155/2024/3719641 -
PloS One 2024To describe the implementation of a test-negative design case-control study in California during the Coronavirus Disease 2019 (COVID-19) pandemic.
OBJECTIVE
To describe the implementation of a test-negative design case-control study in California during the Coronavirus Disease 2019 (COVID-19) pandemic.
STUDY DESIGN
Test-negative case-control study.
METHODS
Between February 24, 2021 - February 24, 2022, a team of 34 interviewers called 38,470 Californians, enrolling 1,885 that tested positive for SARS-CoV-2 (cases) and 1,871 testing negative for SARS-CoV-2 (controls) for 20-minute telephone survey. We estimated adjusted odds ratios for answering the phone and consenting to participate using mixed effects logistic regression. We used a web-based anonymous survey to compile interviewer experiences.
RESULTS
Cases had 1.29-fold (95% CI: 1.24-1.35) higher adjusted odds of answering the phone and 1.69-fold (1.56-1.83) higher adjusted odds of consenting to participate compared to controls. Calls placed from 4pm to 6pm had the highest adjusted odds of being answered. Some interviewers experienced mental wellness challenges interacting with participants with physical (e.g., food, shelter, etc.) and emotional (e.g., grief counseling) needs, and enduring verbal harassment from individuals called.
CONCLUSIONS
Calls placed during afternoon hours may optimize response rate when enrolling controls to a case-control study during a public health emergency response. Proactive check-ins and continual collection of interviewer experience(s) and may help maintain mental wellbeing of investigation workforce. Remaining adaptive to the dynamic needs of the investigation team is critical to a successful study, especially in emergent public health crises, like that represented by the COVID-19 pandemic.
Topics: Humans; COVID-19; Case-Control Studies; California; Male; Female; Adult; SARS-CoV-2; Middle Aged; Telephone; Surveys and Questionnaires; Pandemics; Adolescent; Aged; Young Adult; COVID-19 Testing
PubMed: 38771784
DOI: 10.1371/journal.pone.0301070 -
Frontiers in Robotics and AI 2024
PubMed: 38770438
DOI: 10.3389/frobt.2024.1407421 -
Industrial & Engineering Chemistry... May 2024This study introduces a machine learning (ML)-assisted image segmentation method for automatic bubble identification in gas-solid quasi-2D fluidized beds, offering...
This study introduces a machine learning (ML)-assisted image segmentation method for automatic bubble identification in gas-solid quasi-2D fluidized beds, offering enhanced accuracy in bubble recognition. Binary images are segmented by the ML method, and an in-house Lagrangian tracking technique is developed to track bubble evolution. The ML-assisted segmentation method requires few training data, achieves an accuracy of 98.75%, and allows for filtering out common sources of uncertainty in hydrodynamics, such as varying illumination conditions and out-of-focus regions, thus providing an efficient tool to study bubbling in a standard, consistent, and repeatable manner. In this work, the ML-assisted methodology is tested in a particularly challenging case: structured oscillating fluidized beds, where the spatial and time evolution of the bubble position, velocity, and shape are characteristics of the nucleation-propagation-rupture cycle. The new method is validated across various operational conditions and particle sizes, demonstrating versatility and effectiveness. It shows the ability to capture challenging bubbling dynamics and subtle changes in velocity and size distributions observed in beds of varying particle size. New characteristic features of oscillating beds are identified, including the effect of frequency and particle size on the bubble morphology, aspect, and shape factors and their relationship with the stability of the flow, quantified through the rate of coalescence and splitting events. This type of combination of classic analysis with the application of the ML assisted techniques provides a powerful tool to improve standardization and address the reproducibility of hydrodynamic studies, with the potential to be extended from gas-solid fluidization to other multiphase flow systems.
PubMed: 38765275
DOI: 10.1021/acs.iecr.4c00631 -
Regulatory Toxicology and Pharmacology... Jun 2024ICH Q3A/B guidelines provide qualification thresholds for impurities or degradation products in new drug substances and products. However, the guidelines note that...
ICH Q3A/B guidelines provide qualification thresholds for impurities or degradation products in new drug substances and products. However, the guidelines note that certain impurities/degradation products may warrant further safety evaluation for being unusually potent or toxic. The purpose of this study was to confirm that especially toxic non-mutagenic compounds are rare and to identify classes of compounds that could warrant lower qualification thresholds. A total of 2815 compounds were evaluated, of which 2213 were assessed as non-mutagenic. For the purpose of this analysis, compounds were considered potent when the point of departure was ≤0.2 mg/kg/day based on the qualification threshold (1 mg/day or 0.02 mg/kg/day for a 50 kg human) in a new drug substance, with an additional 10-fold margin. Only 54 of the entire set (2.4%) would be considered potent based on this conservative potency analysis, confirming that the existing ICH Q3A/B qualification thresholds are appropriate for the majority of impurities. If the Q3A/B threshold, without the additional 10-fold margin is used, 14 compounds (0.6%) are considered "highly potent". Very few non-mutagenic structural classes were identified, including organothiophosphates and derivatives, polychlorinated benzenes and polychlorinated polycyclic aliphatics, that correlate with potential high potency, consistent with prior publications.
Topics: Drug Contamination; Humans; Animals; Risk Assessment; Pharmaceutical Preparations
PubMed: 38761967
DOI: 10.1016/j.yrtph.2024.105645 -
Organometallics May 2024In order to establish design criteria for Rh C-H borylation catalysts, analogues of the successful catalyst [Rh(Ind)(SIDipp)(COE)] (Ind = η-indenyl, SIDipp =...
In order to establish design criteria for Rh C-H borylation catalysts, analogues of the successful catalyst [Rh(Ind)(SIDipp)(COE)] (Ind = η-indenyl, SIDipp = 1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene, and COE = -cyclooctene) were synthesized by changing the indenyl and carbene ligands. [RhCp(SIDipp)(COE)] () formed alongside the C-C activated, cyclometalated byproduct [RhCp(κC,C-SIDipp')(Pr)] (; SIDipp' = 1-(6-isopropylphenyl)-3-(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene). Computational modeling of COE dissociation showed that both C-C and C-H activation of the SIDipp aryl group is thermally attainable and reversible under experimental conditions, with the C-C activation products being the more thermodynamically stable species. Oxidative addition of with SiH(OEt) gave the Rh silyl hydride [RhCp(H){Si(OEt)}(SIDipp)] (). [Rh(Ind)(IDipp)(COE)] (; IDipp = 1,3-bis(2,6-diisopropylphenyl)-imidazole-2-ylidene), the carbonyl analogue [Rh(Ind)(IDipp)(CO)] (; ν = 1940 cm, cf. 1944 cm for [Rh(Ind)(SIDipp)(COE)]), and [Rh(Ind)(IMe)(COE)] (; IMe = 1,3,4,5-tetramethylimidazol-2-ylidene) were also characterized, but attempts to synthesize Rh carbene complexes with fluorenyl or 1,2,3,4-tetrahydrofluorenyl ligands were not successful. For the catalytic C-H borylation of benzene using Bpin, was inactive at 80 °C, and [Rh(Ind)(SIDipp)(COE)] was superior to all other complexes tested due to the shortest induction period. However, the addition of HBpin to precatalyst eliminated the induction period. Catalytic -alkane C-H borylation using [Rh(Ind)(NHC)(COE)] gave yields of up to 21% alkylBpin, but [RhCp*(CH)] was the better catalyst.
PubMed: 38756993
DOI: 10.1021/acs.organomet.4c00025