Theory

Creating specific noble metal/metal-organic framework (MOF) heterojunction nanostructures represents an effective strategy to promote water electrolysis but remains rather challenging. Herein, a heterojunction electrocatalyst is developed by growing Ir nanoparticles on ultrathin NiFe-MOF nanosheets supported by nickel foam (NF) via a readily accessible solvothermal approach and subsequent redox strategy. Because of the electronic interactions between Ir nanoparticles and NiFe-MOF nanosheets, the optimized Ir@NiFe-MOF/NF catalyst exhibits exceptional bifunctional performance for the hydrogen evolution reaction (HER) (η10 = 15 mV, η denotes the overpotential) and oxygen evolution reaction (OER) (η10 = 213 mV) in 1...

Azido-tetrazolo tautomerizations between azido N-heteroaromatic compounds and tetrazole-fused energetic materials can produce a new generation of high-energy density compounds. Density functional theory (DFT) computations are performed to explore the relationship between reaction barriers and electron densities of bonding N atoms, i.e., the terminal N1 and heterocyclic N2 atoms, for six reported tautomerizations. The results reveal four linear correlations between reverse reaction barriers ( G r ) and the electron densities of N1 and N2 atoms in the product...

Astaxanthin has multiple physiological functions and is applied widely. The yeast Phaffia rhodozyma is an ideal source of microbial astaxanthin. However, the stress conditions beneficial for astaxanthin synthesis often inhibit cell growth, leading to low productivity of astaxanthin in this yeast. In this study, 1 mg/L melatonin (MT) could increase the biomass, astaxanthin content, and yield in P. rhodozyma by 21.9, 93.9, and 139.1%, reaching 6.9 g/L, 0.3 mg/g DCW, and 2.2 mg/L, respectively...

Pharmacogenomics (PGx) is a rapidly changing field of genomics in which healthcare professionals play an important role in its implementation in the clinical setting, however PGx level of adoption remains low. This study aims to investigate the attitude, self-confidence, level of knowledge, and their impact on health sciences undergraduate students' intentions to adopt PGx in clinical practice using a questionnaire developed based on the Theory of Planned Behavior (TPB). A model was proposed and a questionnaire was developed that was distributed to 467 undergraduate students of all academic years from four different departments of the University of Sharjah (UoS) including medical, dental, nursing, and pharmacy students from September 2022 to November 2022...

Qualitative methods encompass a variety of research and analysis techniques which have the common aim of uncovering what cannot be captured numerically through the quantification of data. For qualitative analytical methods in the interpretivist tradition (e.g. grounded theory, phenomenological, thematic, etc), inductive coding has become a mainstay but has not always lent itself to collaborative, remote team-based data interpretation among qualitative and mixed-methods clinical researchers. Finding ways to speed the inductive coding process without sacrificing rigour while remaining accessible to geographically dispersed teams remains a priority...

Prototype theory, which argues that categories have graded (and thus fuzzy) membership based on prototypes, has been used as cognitive evidence to support moral particularism because if categories (in moral rules) only have fuzzy conceptual boundaries, moral rules are not enough for moral judgment, as specific situations also need to be considered to determine how these fuzzy categories should be understood, which is what moral particularism believes. The importance of literature for ethics, especially for moral imagination, has also been extensively discussed because literature can provide vivid examples for us to imagine different moral dilemmas, the consequences of different moral choices, and the feelings of different people facing different situations...

BACKGROUND: Electronic health records have a significant impact on nursing practice, particularly in specializations such as labor and delivery, or acute care maternity nursing practice. Although primary studies on the use of electronic health records in labor and delivery have been done, no reviews on this topic exist. Moreover, the topic of labor and delivery nurses' organizing work in the electronic health record-enabled context has not been addressed. OBJECTIVE: To (a) synthesize research on electronic health record use in labor and delivery nursing and (b) map how labor and delivery nursing organizing work is transformed by the electronic health record (as described in the reviewed studies)...

UNLABELLED: This study presents somatotype data on a team sport with chronic and diverse sporting demands. The aims were to (1) characterize a somatotype profile for Division II (DII) track and field athletes (n=54) by sex, class, and events; (2) determine if somatotype changed across the season; (3) determine if changes differed based on class or sex; and, (4) assess potential differences in somatotype between sexes. METHODS: Anthropometrics (height, weight, body composition, somatotype) were evaluated after a competitive indoor season and immediately before the outdoor conference championships (41 days)...

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Idiopathic CD4 lymphocytopenia (ICL) is a rare condition where CD4 T cell counts are low, similar to advanced human immunodeficiency virus (HIV) infection but without acquired immunodeficiency syndrome (AIDS)-related symptoms. The cause is unknown, and theories suggest issues with T cell production, survival, migration, or immune system dysregulation. Diagnosis involves ruling out other causes of low CD4 T cells. Treatment is based on managing infections and may include immunomodulatory therapies, but evidence is limited...

Objective In this study, we aimed to assess the rates of pneumococcal and seasonal influenza vaccinations among elderly and nonelderly diabetes patients and examine their perceptions and attitudes toward the coronavirus disease 2019 (COVID-19) vaccine. Methods A single-center study was conducted among patients with diabetes, employing a structured survey encompassing sociodemographic data, vaccination records, and the COVID-19 vaccine perception and attitude scale. Results Among the 280 diabetes patients in our study, the vaccination rates for COVID-19, seasonal influenza, and pneumococcal vaccines were 96...

Achieving the Sabatier optimal of a chemical reaction has been the central topic in heterogeneous catalysis for a century. However, this ultimate goal was greatly hindered in previous catalyst design strategies since the active sites indeed changed. Fortunately, the magneto-catalytic effect (MCE) provides a promising solution to this long-standing challenge. Recent research suggests that the performance of ferromagnetic catalysts is capable to be promoted without changing its chemical structure. Herein, we use time-dependent density functional perturbation theory (TDDFPT) calculations to elucidate that a partially demagnetized (DM) ferromagnet could be a Sabatier optimal catalyst...

The precise control of spin states in transition metal (TM)-based single-atom catalysts (SACs) is crucial for advancing the functionality of electrocatalysts, yet it presents significant scientific challenges. Using density functional theory (DFT) calculations, we propose a novel mechanism to precisely modulate the spin state of the surface-adsorbed Fe atom on the MoS2 bilayer. This is achieved by strategically intercalating a TM atom into the interlayer space of the MoS2 bilayer. Our results show that these strategically intercalated TM atoms can induce a substantial interfacial charge polarization, thereby effectively controlling the charge transfer and spin polarization on the surface Fe site...

Have you ever imagined reactions of alkenes with hydrogen that result in anything other than hydrogenation or hydrogenative C-C coupling? We have long sought to develop not only hydrogenation catalysts that activate H2 as hydride ions but also electron transfer catalysts that activate H2 as a direct electron donor. Here, we report the reductive cyclopropanation of alkenes using an iridium electron storage catalyst with H2 as the electron source without releasing metal waste from the reductant. We discuss the catalytic mechanism with selectivity to give the trans -isomer...

We propose a new way of utilizing normal modes to study protein conformational transitions. Instead of considering individual modes independently, we show that a weighted mixture of low-frequency vibrational modes can reveal dynamic information about the conformational mechanism in more detail than any single mode can. The weights in the mixed mode, termed the allosteric covibrational mode, are determined using a simple model where the conformational transition is viewed as a perturbation of the coupled harmonic oscillator associated with either of the two conformations...

Cybersickness is a global issue affecting users of immersive virtual reality. However, there is no agreement on the exact cause of cybersickness. Taking into consideration how it can differ greatly from one person to another, it makes it even more difficult to determine the exact cause or find a solution. Because cybersickness excludes so many prospective users, including healthcare professionals, from using immersive virtual reality as a learning tool, this research sought to find solutions in existing literature and construct a framework that can be used to p revent or minimise cy bersickness during i mmersive v irtual c linical s imulation (CyPVICS)...

In the presented paper we consider a sequence and its Nörlud and a generalized mean derived from a matrix transformation. Furthermore, sufficient conditions for the matrix are found which implies the converges of the generalized matrix means from the Nörlud ones. The results drawn make it possible to transfer well-known theorems in the theory of Fourier series to more general sequences of operators.

All biological and artificial agents must act given limits on their ability to acquire and process information. As such, a general theory of adaptive behavior should be able to account for the complex interactions between an agent's learning history, decisions, and capacity constraints. Recent work in computer science has begun to clarify the principles that shape these dynamics by bridging ideas from reinforcement learning , Bayesian decision-making , and rate-distortion theory . This body of work provides an account of capacity-limited Bayesian reinforcement learning , a unifying normative framework for modeling the effect of processing constraints on learning and action selection...

As the resonance response in magnetic systems usually occurs at low frequencies, previously known as terahertz high Q -factor resonances, are mainly excited by electrical resonances. In this paper, we present a metamaterial based on vanadium dioxide-silicon arrays capable of achieving a Q -factor of up to 165 198; the ultra-high Q -factor Fano resonance excited by the proposed metamaterial is mainly affected by strong magnetic resonance. The analysis of diffractive coupling theory, electric field, magnetic field and current distribution shows that strong magnetic resonance is mainly realized by coupling localized plasmon resonance with the lattice resonance...

The structural, electronic, and magnetic properties of novel half-Heusler alloys ScXGe (X = Mn, Fe) are investigated using the first principle full potential linearized augmented plane wave approach based on density functional theory (DFT). To attain the desired outcomes, we employed the exchange-correlation frameworks, specifically the local density approximation in combination with Perdew, Burke, and Ernzerhof's generalized gradient approximation plus the Hubbard U parameter method (GGA + U ) to highlight the strong exchange-correlation interaction in these alloys...