Diagrams

Ionic liquids (ILs) as polar components in nonaqueous microemulsions are complex formulations that have interesting transport and structural properties, and offer broader applicability of ILs in areas such as drug delivery and cleaning technology. The phase behavior, electrical conductivity, and nanostructures of these formulations have been investigated for quite some time, but the characteristics of the diffusion of nanodroplets were rarely explored─ and hence little understood. This work investigates the droplet diffusion processes in a series of IL-microemulsions containing 1-butyl-3-methylimidazolium tetrafluoroborate ([C4 mim]BF4 ) by means of viscosity and depolarized dynamic light scattering (DDLS) measurements...

The design of cost-effective electrocatalysts is an open challenging for oxygen evolution reaction (OER) due to the "stable-or-active" dilemma. Zirconium dioxide (ZrO2 ), a versatile and low-cost material that can be stable under OER operating conditions, exhibits inherently poor OER activity from experimental observations. Herein, we doped a series of metal elements to regulate the ZrO2 catalytic activity in OER via spin-polarized density functional theory calculations with van der Waals interactions. Microkinetic modeling as a function of the OER activity descriptor (GO* -GHO* ) displays that 16 metal dopants enable to enhance OER activities over a thermodynamically stable ZrO2 surface, among which Fe and Rh (in the form of single-atom dopant) reach the volcano peak (i...

Paclitaxel (PTX) is one of the first-line chemotherapeutic agents for treating breast cancer. However, PTX resistance remains a major hurdle in breast cancer therapy. Crocin, the main chemical constituent of saffron, shows anti-cancer activity against various types of cancer. However, the effect of crocin on the resistance of PTX in breast cancer is still unknown. CCK-8 and TUNEL assays were employed to detect cell viability and apoptosis, respectively. The targets of crocin were predicted using HERB database and the targets associated with breast cancer were acquired using GEPIA database...

Identifying the stable surface phases under a given electrochemical conditions serves as the basis for studying the atomistic mechanism of reactions at solid/water interfaces. In this work, we systematically compare the performance of the two main approaches that are used to capture the impact of an aqueous environment, implicit and explicit solvent, on surface energies and phase diagrams. As a model system, we consider the magnesium/water interface with (i) Ca substitution and (ii) proton and hydroxyl adsorption...

Myelomeningocele is a common congenital anomaly associated with polygenic disorders worldwide. However, the intricate molecular mechanisms underlying myelomeningocele remain elusive. To investigate whether ferroptosis and ferritinophagy contribute to the pathomechanism of myelomeningocele, differentially expressed genes (DEGs) were identified as novel biomarker and potential treatment agents. The GSE101141 dataset from Gene Expression Omnibus (GEO) was analyzed using GEO2R web tool to obtain DEGs based on |log2 fold change (FC)|≥1...

Natural frequencies are known to improve performance in Bayesian reasoning. However, their impact in situations with two binary events has not yet been completely examined, as most researchers in the last 30 years focused only on conditional probabilities. Nevertheless, situations with two binary events consist of 16 elementary probabilities and so we widen the scope and focus on joint probabilities. In this article, we theoretically elaborate on the importance of joint probabilities, for example, in situations like the Linda problem...

Studies in atomic-scale modeling of surface phase equilibria often focus on temperatures near zero Kelvin due to the challenges in calculating the free energy of surfaces at finite temperatures. The Bayesian-inference-based nested sampling (NS) algorithm allows for modeling phase equilibria at arbitrary temperatures by directly and efficiently calculating the partition function, whose relationship with free energy is well known. This work extends NS to calculate adsorbate phase diagrams, incorporating all relevant configurational contributions to the free energy...

Natural diamonds were (and are) formed (thousands of million years ago) in the upper mantle of Earth in metallic melts at temperatures of 900-1,400 °C and at pressures of 5-6 GPa (refs. 1,2 ). Diamond is thermodynamically stable under high-pressure and high-temperature conditions as per the phase diagram of carbon3 . Scientists at General Electric invented and used a high-pressure and high-temperature apparatus in 1955 to synthesize diamonds by using molten iron sulfide at about 7 GPa and 1,600 °C (refs...

Seismic and mineralogical studies have suggested regions at Earth's core-mantle boundary may be highly enriched in FeO, reported to exhibit metallic behavior at extreme pressure-temperature (P-T) conditions. However, underlying electronic processes in FeO remain poorly understood. Here we explore the electronic structure of B1-FeO at extreme conditions with large-scale theoretical modeling using state-of-the-art embedded dynamical mean field theory (eDMFT). Fine sampling of the phase diagram reveals that, instead of sharp metallization, compression of FeO at high temperatures induces a gradual orbitally selective insulator-metal transition...

Soil microbial communities undergo constant fluctuations, particularly in response to environmental factors. Although the deposition of toxic mine waste is recognized for introducing potentially hazardous elements (PHEs) into the soil, its specific impacts on microbial communities remain unclear. This study aims to explore the combined effects of soil alkalinity and bioavailable PHEs on microbial diversity and traits in agricultural soil adjacent to a chromium-asbestos mining area. By employing a comprehensive analysis, this study indicated that microbiological attributes were reduced in contaminated areas (zone 1), whereas both the levels of bioavailable PHEs (CrWs: 31...

OBJECTIVE: The objectives of this study are to clarify the scientific definition of comfort food, identify which methodologies are being used in research on this topic and which factors are associated with the consumption of comfort food. INTRODUCTION: The consumption of comfort foods is subjective and influenced by individual experiences, as they are known and appreciated by the person. However, divergences about the definition of comfort food in the scientific literature reflect the heterogeneity of the methods used in the research, and consequently identification of possible factors associated with the consumption of this type of food, which can influence the knowledge about the consumption of these foods and their potential effects on the health of those who consume them...

Treemaps are a powerful tool for representing hierarchical data in a space-efficient manner and are used in various domains, including network security or software development. However, interpreting the topology encoded by nested rectangles can be challenging, particularly compared to tree-structured representations like node-link diagrams or icicle plots. To address this challenge, we introduce TreEducation, a visual education platform designed to improve the visualization literacy skills required for reading treemaps among non-expert users...

The prediction of suspended sediment load (SSL) within riverine systems is critical to understanding the watershed's hydrology. Therefore, the novelty of our research is developing an interpretable (explainable) model based on deep learning (DL) and Shapley Additive ExPlanations (SHAP) interpretation technique for prediction of SSL in the riverine systems. This paper investigates the abilities of four DL models, including dense deep neural networks (DDNN), long short-term memory (LSTM), gated recurrent unit (GRU), and simple recurrent neural network (RNN) models for the prediction of daily SSL using river discharge and rainfall data at a daily time scale in the Taleghan River watershed, northwestern Tehran, Iran...

OBJECTIVE: This review will map the literature on the types of research and methods used to investigate the wound-healing properties of Stryphnodendron adstringens (barbatimão) in skin and mucosa injuries. INTRODUCTION: Barbatimão is a Brazilian native plant and its wound-healing properties have been described in the literature since the colonial period. It is one of the 71 plants included in the Brazilian health system's national list of medicinal plants of interest...

INTRODUCTION: Infants with congenital heart disease (CHD) are at high risk for developmental differences which can be explained by the cumulative effect of medical complications along with sequelae related to the hospital and environmental challenges. The intervention of individualized developmental care (IDC) minimizes the mismatch between the fragile newborn brain's expectations and the experiences of stress and pain inherent in the intensive care unit (ICU) environment. METHODS: A multidisciplinary group of experts was assembled to implement quality improvement (QI) to increase the amount of IDC provided, using the Newborn Individualized Developmental Care and Assessment Program (NIDCAP), to newborn infants in the cardiac ICU...

PURPOSE: This study aimed to investigate the risk factors for liver disease comorbidity among older adults in eastern, central, and western China, and explored binary, ternary and quaternary co-morbid co-causal patterns of liver disease within a health ecological model. METHOD: Basic information from 9,763 older adults was analyzed using data from the China Health and Retirement Longitudinal Study (CHARLS). LASSO regression was employed to identify significant predictors in eastern, central, and western China...

Textbook question answering (TQA) task aims to infer answers for given questions from a multimodal context, including text and diagrams. The existing studies have aggregated intramodal semantics extracted from a single modality but have yet to capture the intermodal semantics between different modalities. A major challenge in learning intermodal semantics is maintaining lossless intramodal semantics while bridging the gap of semantics caused by heterogeneity. In this article, we propose an intermodal relation-aware heterogeneous graph network (IMR-HGN) to extract the intermodal semantics for TQA, which aggregates different modalities while learning features rather than representing them independently...

Given the frequent exposure of humanitarian migrants to traumatic or stressful circumstances, there exists a potential predisposition to mental illness. Our objective was to pinpoint the trends and determinants of mental illness among humanitarian migrants resettled in Australia. This study considered five waves of longitudinal data involving humanitarian migrants resettled in Australia. Post-traumatic stress disorder (PTSD) and psychological distress were assessed using PTSD-8 and Kessler-6 screening tools...

The self-assembly of block copolymers on nanocylinders has attracted a lot of interest due to its potential application in biomedicine and other fields. In this study, the self-assembly phase behavior of AB diblock copolymers on long nanocylinders in soft confinement has been studied by using a simulated annealing method. A square phase diagram of the morphology was constructed by increasing the number of chains of copolymers (cn) and the cylindrical diameter ( D ). As a result, morphological transitions from striped to helical and axially stacked toroids, as well as reversible transitions, started to appear...

PURPOSE: Isotretinoin (ITN) is a poorly water-soluble drug. The objective of this study was to design a successful liquid self-nanoemulsifying drug delivery system (L-SNEDDS) for ITN to improve its solubility, dissolution rate, and antibacterial activity. METHODS: According to solubility and emulsification studies, castor oil, Cremophor EL, and Transcutol HP were selected as system excipients. A pseudo ternary phase diagram was constructed to reveal the self-emulsification area...