Tag: statistics

J Chem Theory Comput. 2024 May 31. doi: 10.1021/acs.jctc.4c00287. Online ahead of print.

ABSTRACT

Comparisons between simulated and experimental adsorption isotherms in MOFs are fraught with challenges. On the experimental side, there is significant variation between isotherms measured on the same system, with a significant percentage (∼20%) of published data being considered outliers. On the simulation side, force fields are often chosen “off-the-shelf” with little or no validation. The effect of this choice on the reliability of simulated adsorption predictions has not yet been rigorously quantified. In this work, we fill this gap by systematically quantifying the uncertainty arising from force field selection on adsorption isotherm predictions. We choose methane adsorption, where electrostatic interactions are negligible, to independently study the effect of the framework Lennard-Jones parameters on a series of prototypical materials that represent the most widely studied MOF “families”. Using this information, we compute an adsorption “consensus isotherm” from simulations, including a quantification of uncertainty, and compare it against a manually curated set of experimental data from the literature. By considering many experimental isotherms measured by different groups and eliminating outliers in the data using statistical analysis, we conduct a rigorous comparison that avoids the pitfalls of the standard approach of comparing simulation predictions to a single experimental data set. Our results show that (1) the uncertainty in simulated isotherms can be as large as 15% and (2) standard force fields can provide reliable predictions for some systems but can fail dramatically for others, highlighting systematic shortcomings in those models. Based on this, we offer recommendations for future simulation studies of adsorption, including high-throughput computational screening of MOFs.

PMID:38818701 | DOI:10.1021/acs.jctc.4c00287

Int J Cosmet Sci. 2024 May 31. doi: 10.1111/ics.12979. Online ahead of print.

ABSTRACT

OBJECTIVE: European Commission Regulation (EU) n°2023/1545 introduced the concept of grouping names in the cosmetics sector in July 2023. These groups bring together allergenic substances with the same level of skin sensitization. Their purpose is to lighten the list of ingredients on cosmetic packaging, by grouping together substances deemed to be similar under the same name. As this classification is based on a single toxic effect – skin sensitization – the present study aims to analyse the relevance of these groupings with regard to other toxic effects of substances in the same group.

METHODS: This study was carried out by consulting an available database, various reports from 5 committees, 2 books and 5 articles in order to complete the toxicological profile of each substance. Then, in order to highlight any discrepancies within the classification, the worst cases were identified. For this purpose, the data for each substance in a group were compared, and in the event of greater criticality for a toxic effect, this was qualified as a worst case. In addition, similar toxic effects between several substances within the same group were also recorded. The aim of this additional research was to validate the definition of the grouping name and the similarities between substances in the same group.

RESULTS: From the 17 grouping names, 5 presented worst cases. Two groups had 2 worst cases and the others only one. In total, from the 7 worst cases detected, 3 were due to the toxic effect “skin irritation”. In most cases, the substances in the groupings shared the presence or absence of risk. Only the degree of risk criticality varied.

CONCLUSION: Classification by grouping names appears justified regarding the similarities between substances, particularly in terms of skin sensitization. However, the presence of worst cases qualifies it and highlights the importance of being vigilant when assessing the risk of cosmetic products including these grouping names in their list of ingredients.

PMID:38818677 | DOI:10.1111/ics.12979

J Glob Health. 2024 May 31;14:04121. doi: 10.7189/jogh.14.04121.

ABSTRACT

BACKGROUND: Non-communicable diseases (NCDs) cause long-term impacts on health and can substantially affect people’s ability to work. Little is known about how such impacts vary by gender, particularly in low- and middle-income countries (LMICs), where productivity losses may affect economic development. This study assessed the long-term productivity loss caused by major NCDs among adult women and men (20-76 years) in Mexico because of premature death and hospitalisations, between 2005 and 2021.

METHODS: We conducted an economic valuation based on the Human Capital Approach. We obtained population-based data from the National Employment Survey from 2005 to 2021 to estimate the expected productivity according to age and gender using a two-part model. We utilised expected productivity based on wage rates to calculate the productivity loss, employing Mexican official mortality registries and hospital discharge microdata for the same period. To assess the variability in our estimations, we performed sensitivity analyses under two different scenarios.

RESULTS: Premature mortality by cancers, diabetes, chronic cardiovascular diseases (CVD), chronic respiratory diseases (CRD) and chronic kidney disease (CKD) caused a productivity loss of 102.6 billion international US dollars (Intl. USD) from 2.8 million premature deaths. Seventy-three percent of this productivity loss was observed among men. Cancers caused 38.3% of the productivity loss (mainly among women), diabetes 38.1, CVD 15.1, CRD 3.2, and CKD 5.3%. Regarding hospitalisations, the estimated productivity loss was 729.7 million Intl. USD from 54.2 million days of hospitalisation. Men faced 65.4 and women 34.6% of these costs. Cancers caused 41.3% of the productivity loss mainly by women, followed by diabetes (22.1%), CKD (20.4%), CVD (13.6%) and CRD (2.6%).

CONCLUSIONS: Major NCDs impose substantial costs from lost productivity in Mexico and these tend to be higher amongst men, while for some diseases the economic burden is higher for women. This should be considered to inform policymakers to design effective gender-sensitive health and social protection interventions to tackle the burden of NCDs.

PMID:38818618 | DOI:10.7189/jogh.14.04121

J Glob Health. 2024 May 31;14:04095. doi: 10.7189/jogh.14.04095.

ABSTRACT

BACKGROUND: Urticaria places a significant burden on individuals and society due to its widespread nature. The aim of this study was to evaluate the burden of urticaria in different regions and nations by analysing data from the Global Burden of Disease study 2019 (GBD 2019), with the goal of providing information to health care policymakers.

METHODS: By utilising data from the GBD 2019 database, this study analysed metrics such as incidence, prevalence, disability-adjusted life years (DALYs), age-standardised rate (ASR), and estimated annual percentage changes (EAPC) globally and across 204 countries and regions. The data was further stratified by age, sex, and sociodemographic index (SDI).

RESULTS: In 2019, global incidence cases, prevalence cases, and overall disease burden as measured by DALYs all increased. The distribution of the burden exhibited marked geographical heterogeneity. At the regional level, the burden is highest in Central and Eastern Europe and Central Asia, with the strongest growth in South Asia, compared with a decline in the high-income Asia Pacific. At the country level, Nepal reports the highest burden of urticaria, while Portugal has the lowest. Gender and age analyses showed that the burden of urticaria is higher in females than in males, with urticaria cases declining with age, especially in children, and picking up among the elderly. The study also finds a correlation between the burden of urticaria and the SDI, with the central part of the SDI showing a consistent increasing trend.

CONCLUSION: This study found that the global burden of urticaria has risen from 1990 to 2019. Factors like geographic location, gender, and SDI influenced the urticaria burden. Overall, these results offer a resource to guide public health strategies seeking to reduce the burden of urticaria.

PMID:38818613 | DOI:10.7189/jogh.14.04095

J Glob Health. 2024 May 31;14:04104. doi: 10.7189/jogh.14.04104.

ABSTRACT

BACKGROUND: The description of long-term trends in the cancer burden among children aged zero to nine years from 1990 to 2019 reveals significant changes in children’s health. It helps in resource allocation and health policy planning. We analysed data on the incidence, mortality, and disability-adjusted life years (DALYs) by sex and age group in children aged zero to nine.

METHODS: Estimates of DALYs for children aged zero to nine years, appeared as part of the Global Burden of Diseases, Injuries, and Risk Factor Study 2019, by age, sex, and location for 1990-2019. We also provided estimations by the sociodemographic index (SDI) quintile, a systematic measure to indicate educational attainment, income per capita, and total fertility rate for those younger than 25 years. We used age-period-cohort models to investigate paediatric cancers prevalence, incidence, mortality, and DALYs rates and auto-regressive integrated moving average models to predict cancer in children of different age groups in males and females.

RESULTS: A total of 6 224 010 DALY numbers for cancer cases occurred globally in 2019 among children aged zero to nine years. Additionally, the incidence of paediatric cancers in 2019 in the middle SDI countries was the highest, including 60 662 cases, and the highest mortality and DALYs cases of paediatric cancers were in the low SDI countries (25 502 and 2 199 790). The joinpoint regression analysis revealed that the trend of total cancer burden in age-standardised mortality rates and age-standardised DALYs rates showed a significant decrease with an average annual percentage change of -2.10 and -2.03 from 1990 to 2019. Furthermore, the paediatric cancer spectrum was changing. Other malignant neoplasms and other leukaemia were the major components of cancer in all age groups of children.

CONCLUSIONS: The disease burden in children aged zero to nine years decreased significantly globally from 1990 to 2019. However, the overall prediction of childhood cancer increased slightly from 2020 to 2040. Our findings may help guide investments and inform policies. This highlights the necessity to improve current treatment measures and establish effective prevention strategies to reduce the cancer burden among children aged zero to nine years.

PMID:38818611 | DOI:10.7189/jogh.14.04104

Physiol Plant. 2024 May-Jun;176(3):e14370. doi: 10.1111/ppl.14370.

ABSTRACT

With climate change, droughts are expected to be more frequent and severe, severely impacting plant biomass and quality. Here, we show that overexpressing the Arabidopsis gene AtFtsHi3 (FtsHi3OE) enhances drought-tolerant phenotypes without compromising plant growth. AtFtsHi3 encodes a chloroplast envelope pseudo-protease; knock-down mutants (ftshi3-1) are found to be drought tolerant but exhibit stunted growth. Altered AtFtsHi3 expression therefore leads to drought tolerance, while only diminished expression of this gene leads to growth retardation. To understand the underlying mechanisms of the enhanced drought tolerance, we compared the proteomes of ftshi3-1 and pFtsHi3-FtsHi3OE (pFtsHi3-OE) to wild-type plants under well-watered and drought conditions. Drought-related processes like osmotic stress, water transport, and abscisic acid response were enriched in pFtsHi3-OE and ftshi3-1 mutants following their enhanced drought response compared to wild-type. The knock-down mutant ftshi3-1 showed an increased abundance of HSP90, HSP93, and TIC110 proteins, hinting at a potential downstream role of AtFtsHi3 in chloroplast pre-protein import. Mathematical modeling was performed to understand how variation in the transcript abundance of AtFtsHi3 can, on the one hand, lead to drought tolerance in both overexpression and knock-down lines, yet, on the other hand, affect plant growth so differently. The results led us to hypothesize that AtFtsHi3 may form complexes with at least two other protease subunits, either as homo- or heteromeric structures. Enriched amounts of AtFtsH7/9, AtFtsH11, AtFtsH12, and AtFtsHi4 in ftshi3-1 suggest a possible compensation mechanism for these proteases in the hexamer.

PMID:38818570 | DOI:10.1111/ppl.14370

J Int Med Res. 2024 May;52(5):3000605241247656. doi: 10.1177/03000605241247656.

ABSTRACT

OBJECTIVE: To compare the clinical effects of coronary artery bypass grafting (CABG) between the left anterior small thoracotomy (LAST) and lower-end sternal splitting (LESS) approaches for coronary artery disease.

METHODS: In total, 110 patients who underwent LAST from October 2015 to December 2020 in Tianjin Chest Hospital were selected as the observation group. Patients who underwent the LESS approach during the same period were analyzed. The propensity score was calculated by a logistic regression model, and nearest-neighbor matching was used for 1:1 matching.

RESULTS: The length of hospital stay and ventilator support time were significantly shorter in the LAST than LESS group. The target vessels in the obtuse marginal branch and posterior left ventricular artery branch grafts were significantly more numerous in the LAST than LESS group, but those in the right coronary artery graft were significantly less numerous in the LAST group.

CONCLUSIONS: CABG using either the LAST or LESS approach is safe and effective, especially in low-risk patients. The LAST approach can achieve complete revascularization for multivessel lesions and has the advantages of less trauma and an aesthetic outcome. However, it requires a certain learning curve to master the surgical techniques and has specific surgical indications.

PMID:38818531 | DOI:10.1177/03000605241247656

Educ Sci (Basel). 2024 Apr;14(4):339. doi: 10.3390/educsci14040339. Epub 2024 Mar 22.

ABSTRACT

This study investigates the awareness and perceptions of artificial intelligence (AI) among Hispanic healthcare-related professionals, focusing on integrating AI in healthcare. The study participants were recruited from an asynchronous course offered twice within a year at the University of Puerto Rico Medical Science Campus, titled “Artificial Intelligence and Machine Learning Applied to Health Disparities Research”, which aimed to bridge the gaps in AI knowledge among participants. The participants were divided into Experimental (n = 32; data-illiterate) and Control (n = 18; data-literate) groups, and pre-test and post-test surveys were administered to assess knowledge and attitudes toward AI. Descriptive statistics, power analysis, and the Mann-Whitney U test were employed to determine the influence of the course on participants’ comprehension and perspectives regarding AI. Results indicate significant improvements in knowledge and attitudes among participants, emphasizing the effectiveness of the course in enhancing understanding and fostering positive attitudes toward AI. Findings also reveal limited practical exposure to AI applications, highlighting the need for improved integration into education. This research highlights the significance of educating healthcare professionals about AI to enable its advantageous incorporation into healthcare procedures. The study provides valuable perspectives from a broad spectrum of healthcare workers, serving as a basis for future investigations and educational endeavors aimed at AI implementation in healthcare.

PMID:38818527 | PMC:PMC11138866 | DOI:10.3390/educsci14040339

J Stat Plan Inference. 2024 Dec;233:106190. doi: 10.1016/j.jspi.2024.106190. Epub 2024 May 9.

ABSTRACT

Parent-of-origin effect plays an important role in mammal development and disorder. Case-control mother-child pair genotype data can be used to detect parent-of-origin effect and is often convenient to collect in practice. Most existing methods for assessing parent-of-origin effect do not incorporate any covariates, which may be required to control for confounding factors. We propose to model the parent-of-origin effect through a logistic regression model, with predictors including maternal and child genotypes, parental origins, and covariates. The parental origins may not be fully inferred from genotypes of a target genetic marker, so we propose to use genotypes of markers tightly linked to the target marker to increase inference efficiency. A robust statistical inference procedure is developed based on a modified profile log-likelihood in a retrospective way. A computationally feasible expectation-maximization algorithm is devised to estimate all unknown parameters involved in the modified profile log-likelihood. This algorithm differs from the conventional expectation-maximization algorithm in the sense that it is based on a modified instead of the original profile log-likelihood function. The convergence of the algorithm is established under some mild regularity conditions. This expectation-maximization algorithm also allows convenient handling of missing child genotypes. Large sample properties, including weak consistency, asymptotic normality, and asymptotic efficiency, are established for the proposed estimator under some mild regularity conditions. Finite sample properties are evaluated through extensive simulation studies and the application to a real dataset.

PMID:38818512 | PMC:PMC11135462 | DOI:10.1016/j.jspi.2024.106190

Front Endocrinol (Lausanne). 2024 May 16;15:1308208. doi: 10.3389/fendo.2024.1308208. eCollection 2024.

ABSTRACT

OBJECTIVE: Hypothyroidism, characterized by reduced thyroid hormone levels, and endometrial cancer, a prevalent gynecological malignancy, have been suggested to have a potential association in previous observational studies. However, the causal relationship between them remains uncertain. This study aimed to investigate the causal relationship between hypothyroidism and endometrial cancer using a bilateral Mendelian randomization approach.

METHODS: A bidirectional two-sample Mendelian randomization study was conducted using summary statistics from genome-wide association studies to identify genetic variants associated with hypothyroidism and endometrial cancer. The inverse variance weighting method was used as the main analysis, and sensitivity analyses were conducted to validate the MR results.

RESULTS: The results of our analysis did not support a causal effect of hypothyroidism (OR: 0.93, p=0.08) or autoimmune hypothyroidism (OR: 0.98, p=0.39) on endometrial cancer risk. In the reverse MR analysis, we did not find a significant causal effect of endometrial cancer on hypothyroidism (OR: 0.96, p=0.75) or autoimmune hypothyroidism (OR: 0.92, p=0.50). Based on subgroup analysis by pathological subtypes of endometrial cancer, the above findings were further substantiated (all p-value >0.05).

CONCLUSIONS: Our Mendelian randomization analysis suggests a lack of causal association between hypothyroidism and endometrial cancer. To gain a deeper understanding of this association, it is essential to conduct large-scale randomized controlled trials in the future to validate our findings.

PMID:38818502 | PMC:PMC11137162 | DOI:10.3389/fendo.2024.1308208