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Physics-based, atom-centered machine learning (ML) representations have been instrumental to the effective integration of ML within the atomistic simulation community. Many of these representations build off the idea of atoms as having spherical, or isotropic, interactions. In many communities, there is often a need to represent groups of atoms, either to increase the computational efficiency of simulation via coarse-graining or to understand molecular influences on system behavior. In such cases, atom-centered representations will have limited utility, as groups of atoms may not be well-approximated as spheres. In this work, we extend the popular Smooth Overlap of Atomic Positions (SOAP) ML representation for systems consisting of non-spherical anisotropic particles or clusters of atoms. We show the power of this anisotropic extension of SOAP, which we deem AniSOAP, in accurately characterizing liquid crystal systems and predicting the energetics of Gay–Berne ellipsoids and coarse-grained benzene crystals. With our study of these prototypical anisotropic systems, we derive fundamental insights on how molecular shape influences mesoscale behavior and explain how to reincorporate important atom–atom interactions typically not captured by coarse-grained models. Moving forward, we propose AniSOAP as a flexible, unified framework for coarse-graining in complex, multiscale simulation. [ABSTRACT FROM AUTHOR]

Drawing on an in-depth study of physicians facing the Covid-19 pandemic in Italy in 2020, we advance theory on how professionals in their workplace respond to knowledge disruptions associated with complex societal challenges that undermine the adequacy of their knowledge base to solve professional problems. We show that, in the context of uncertainty generated by the knowledge disruption and the inability to mitigate this uncertainty through typical knowledge-based strategies, professionals experience a trail of negative epistemic emotions. Despite these negative epistemic emotions, and motivated by a heightened sense of moral duty, professionals engage in service-oriented practices of collegial and humanistic work that depart from the knowledge-centric practices of their usual work. We detail how the repeated development of positive moral emotions when performing such practices leads professionals to ultimately consolidate and embed service-oriented practices in their professional work. Our study contributes to the literature on professions and organizations by theorizing the distinctive category of knowledge disruptions of unmitigable uncertainty and by uncovering the microlevel dynamics and mechanisms that sustain professionals' responses. [ABSTRACT FROM AUTHOR]

The organic anion transporters OAT1 (SLC22A6) and OAT3 (SLC22A8) are drug transporters that are expressed in the kidney, with well-established roles in the in vivo transport of drugs and endogenous metabolites. A comparatively unexplored potential function of these drug transporters is their contribution to the in vivo regulation of natural products (NPs) and their effects on endogenous metabolism. This is important for the evaluation of potential NP interactions with other compounds at the transporter site. Here, we have analyzed the NPs present in several well-established databases from Asian (Chinese, Indian Ayurvedic) and other traditions. Loss of OAT1 and OAT3 in murine knockouts caused serum alterations of many NPs, including flavonoids, vitamins, and indoles. OAT1- and OAT3-dependent NPs were largely separable based on a multivariate analysis of chemical properties. Direct binding to the transporter was confirmed using in vitro transport assays and protein binding assays. Our in vivo and in vitro results, considered in the context of previous data, demonstrate that OAT1 and OAT3 play a pivotal role in the handling of non-synthetic small molecule natural products, NP-derived antioxidants, phytochemicals, and nutrients (e.g., pantothenic acid, thiamine). As described by remote sensing and signaling theory, drug transporters help regulate redox states by meditating the movement of endogenous antioxidants and nutrients between organs and organisms. Our results demonstrate how dietary antioxidants and other NPs might feed into these inter-organ and inter-organismal pathways. [ABSTRACT FROM AUTHOR]

Electrochemical energy storage is one of the effective ways that can address the mentioned issues as alternative energy/power produced through solar or windmills can effectively be stored for continuous usage. Hybrid/Asymmetric supercapacitors can deliver a significant amount of power density as well as increased energy density with better rate capability and longer lifespan. The fluffy carbonized hexagonal KCoPO4 synthesized via a simple sol‐gel method accompanied by calcination has delivered high capacitance and longer cyclibility as a positive electrode in aqueous asymmetric supercapacitors. The fluffy carbonized hexagonal KCoPO4 exhibited a specific capacitance equal to 725 F/g at 0.5 A/g current density with excellent cyclic stability. The predominant intercalative pseudocapacitive charge storage behavior seems to be the reason behind the high capacitance of the electrode due to the active involvement of Co2+/3+ redox couple mediate charge storage as intercalative (inner) and capacitive, (outer) surface charges storage on the electrode were close to 37 % and 63 % respectively. Aqueous Asymmetric supercapacitor mode with KCoPO4 being a positive electrode and activated carbon being a negative electrode (KCoPO4//AC) was designed to address its performance in 2 M KOH aqueous electrolyte. The fabricated device in AASc mode (AC//KCoPO4) achieved the highest energy density close to 121.1 Wh/kg with a high power density of 6945 W/kg in the potential window of 1.5 V in 2 M KOH electrolyte. [ABSTRACT FROM AUTHOR]

Investigations on the anticancer potential of dietary phytoconstituents have made significant progress over the past 10 years. Eugenol, a phenolic compound found in various plants, has gained attention for its diverse medicinal properties. Prominent eugenol-producing plants include clove, cinnamon, tulsi, and pepper. The substance has been shown to possess features that include anesthetic, neuroprotective, anti-inflammatory, anti-diabetic, and anti-cancer effects. Eugenol is employed as a marker in pharmaceutical analysis for individual medications and drug packages. It has demonstrated the potential applications in domestic, personal, and dental care as well as in other industries. Eugenol is a flavoring component found in baked products, chewing gum, and non-alcoholic beverages. Eugenol exhibits numerous health benefits, including antioxidant, anti-inflammatory, antimicrobial, and anticancer activities. Its antioxidant properties stem from its ability to neutralize reactive oxygen species (ROS) through free radical scavenging and hydrogen donation. Eugenol's anti-inflammatory and analgesic effects have been linked to its role in reducing oxidative stress and modulating inflammatory processes. Like other phytoconstituents, eugenol is vulnerable to oxygen sensitivity and volatility, and it suffers poor bioavailability. To resolve these problems nanotechnology intervention continues to be a worthwhile option. Recently, few studies have reported about the novel eugenol nanoformulation approaches for the enhancement of therapeutic efficiency. In this review, an effort has been made to compile developed formulations, extraction methods, mechanisms of action, and clinical trials. [ABSTRACT FROM AUTHOR]

Cuticular wax (CW) is the first defensive barrier of plants that forms a waterproof barrier, protects the plant from desiccation, and defends against insects, pathogens, and UV radiation. Sorghum, an important grass crop with high heat and drought tolerance, exhibits a much higher wax load than other grasses and the model plant Arabidopsis. In this study, we explored the regulation of sorghum CW biosynthesis using a bloomless mutant. The CW on leaf sheaths of the bloomless 41 (bm41) mutant showed significantly reduced very long-chain fatty acids (VLCFAs), triterpenoids, alcohols, and other wax components, with an overall 86% decrease in total wax content compared with the wild type. Notably, the 28-carbon and 30-carbon VLCFAs were decreased in the mutants. Using bulk segregant analysis, we identified the causal gene of the bloomless phenotype as a leucine-rich repeat transmembrane protein kinase. Transcriptome analysis of the wild-type and bm41 mutant leaf sheaths revealed BM41 as a positive regulator of lipid biosynthesis and steroid metabolism. BM41 may regulate CW biosynthesis by regulating the expression of the gene encoding 3-ketoacyl-CoA synthase 6. Identification of BM41 as a new regulator of CW biosynthesis provides fundamental knowledge for improving grass crops' heat and drought tolerance by increasing CW. [ABSTRACT FROM AUTHOR]

Although the smaller size of nanophosphors renders processability and flexibility for next-generation devices, concurrent surface prolificity stifles the phosphor efficiency, and in turn, their superiority. To circumvent the surface side effect in the Y2Sn2O7:Eu nanophosphor, the present work articulates a co-substituent (Zr4+)-assisted revival of stifled luminescence. Steady-state and time-resolved photoluminescence studies revealed that with respect to nanophosphors without a Zr substituent, the Zr-substituted Y2Sn2−xZrxO7:Eu (x = 0.25, 0.5) pyrochlore nanophosphor exhibited multi-fold augmentation in lifetime and quantum efficiency values, which are key parameters for ascertaining the photoluminescence performance. The experimental and theoretical outcomes indicate that Eu3+ prefers to be in close proximity to Zr4+ ions in the Y2Sn2−xZrxO7:Eu (x = 0.25, 0.5) pyrochlore lattice to counterbalance the individual substitution consequences and generate appropriate electronic distributions and polar interactions. This proximity preference of Zr–Eu facilitates the occupation of Eu3+ in the interior region of nanoparticles and avoids the surface sensitivity. Furthermore, the lifetime values for the Y2Sn2−xZrxO7:Eu (x = 0.25, 0.5) pyrochlore nanophosphor are 5–6 ms, and the internal quantum efficiency is approximately 80%, which is the highest of any pyrochlore nanosized phosphor reported thus far, to the best of our knowledge. Thus, this work deciphered an innovative pathway for evasion of the surface-quenching effect without compromising homogeneity in the structural ordering and vicinal symmetry of the dopant/substituent across the dimensions of nanophosphors. [ABSTRACT FROM AUTHOR]

Biorenewable energy resources can be crucial in neutralizing the transportation sector's greenhouse gas emissions. However, the direct use of biorenewable fuels in existing gasoline engines is challenging and requires several modifications. On the contrary, blending compatible biorenewable fuels in limited amounts as an additive in conventional gasoline does not necessarily require any modifications in the engine. Thus, the present review critically asses the physiochemical and fuel properties of biomass‐derived oxygenates such as alcohols, ether, furans, glycerine derivatives, alkyl levulinates, bio‐oils, and esters to understand their full potential as a gasoline additive. Properties such as research octane number (RON), motor octane number (MON), density, volatility characteristics, calorific value, and viscosity of the bio‐based oxygenates have been discussed. Moreover, emission characteristics such as NOx, CO, unburnt, HC, and CO2 of oxygenates reformulated gasoline have been discussed. [ABSTRACT FROM AUTHOR]

The quantification of pharmaceutical compounds in biological matrices is a critical component of drug development, therapeutic drug monitoring, and pharmacokinetic studies. Over the past decade, significant advances have been made in analytical techniques that enhance the sensitivity, accuracy, and efficiency of these measurements. This comprehensive review explores the recent developments in various analytical methods, including chromatography, mass spectrometry, spectroscopy, and electrochemical techniques, focusing on their application in pharmaceutical analysis. Additionally, emerging trends such as high-throughput screening, miniaturization, and the integration of artificial intelligence (AI) are discussed, highlighting their potential to revolutionize the field. The review also addresses the challenges associated with current methodologies, including matrix effects, the need for extensive sample preparation, and the push towards greener and more sustainable analytical practices. Finally, future directions in the field are proposed, emphasizing the importance of continued innovation to meet the evolving needs of pharmaceutical analysis. [ABSTRACT FROM AUTHOR]

Background: and Aim of study: Endotracheal intubation in pediatric patients might be challenging due to anatomical variances. One problem is selecting the appropriate size of endotracheal tube for intubation (1). Choosing the right Endotracheal tube size is crucial, especially for young patients. Using an incorrectly sized ETT can have serious consequences, including death. Various methods are used to estimate correct ETT size based on patient demographics, such as age, weight, and height. Some anesthesiologists use the diameter of the little finger for crude estimation. However, these methods have poor agreement with the actual ETT size appropriate for the patient. This study evaluated the efficacy of ultrasonographic assessment of ETT size to the usual age-based calculation. Material and Method: This cross sectional randomised study was done on 72 patients undergoing elective procedures at the Department of Anaesthesiology, Integral Institute of Medical Sciences, Lucknow, between September 2022 and March 2024, after institutional ethics committee permission. Patients were separated into two groups of 36 each. Group A's ETT size was approximated using Pennington's method. Group B where ETT size was assessed by ultrasonography. The results were evaluated using descriptive statistics and compared between groups. Categorical data were summarized as proportions and percentages (%), whereas discrete data were reported as mean ± SD. Results: Insertion of ETT estimated by ultrasound had greater rate of successful insertion in first attempt, easy insertion and less postoperative complications when compared to ETT size estimated by Penlington's formula. [ABSTRACT FROM AUTHOR]

Antibiotic resistance has emerged as a global threat, rendering the existing conventional treatment strategies ineffective. In view of this, antimicrobial peptides (AMPs) have proven to be potent alternative therapeutic interventions with a wide range of applications in clinical health. AMPs are small peptides produced naturally as a part of the innate immune responses against a broad range of bacterial, fungal and viral pathogens. AMPs present a myriad of advantages over traditional antibiotics, including their ability to target multiple sites, reduced susceptibility to resistance development, and high efficacy at low doses. These peptides have demonstrated notable potential in inhibiting microbes resistant to traditional antibiotics, including the notorious ESKAPE pathogens, recognized as the primary culprits behind nosocomial infections. AMPs, with their multifaceted benefits, emerge as promising candidates in the ongoing efforts to combat the escalating challenges posed by antibiotic resistance. This in-depth review provides a detailed discussion on AMPs, encompassing their classification, mechanism of action, and diverse clinical applications. Focus has been laid on combating newly emerging drug-resistant organisms, emphasizing the significance of AMPs in mitigating this pressing challenge. The review also illuminates potential future strategies that may be implemented to improve AMP efficacy, such as structural modifications and using AMPs in combination with antibiotics and matrix-inhibiting compounds. [ABSTRACT FROM AUTHOR]

This study evaluated 14 new 4,5,6,7‐tetrabromo‐1H‐benzo[d][1,2,3]triazole derivatives (3a‐n) for their antimicrobial activities, identifying compound 3k as the most effective. In vivo oral toxicity tests confirmed its non‐toxic nature. Predictive ADME analysis indicated favorable drug development properties. Molecular docking and dynamics studies were performed to investigate the interactions of compound 3k with Mycobacterium TB (PDB ID 2X22) and glucosamine‐6‐phosphate synthase (PDB ID 2VF5). The reactivity properties and reactive sites were determined using DFT‐derived HOMO and LUMO orbitals, along with MEP, and ESP maps, providing insights into the electron density, electrophilicity, and nucleophilicity. The electronic properties of the TD‐DFT and IEFPCM models were analyzed in solvents such as acetonitrile, ethanol, and DMSO and results were compared using UV‐Vis spectroscopy. Structural–activity relationship (SAR) investigations elucidated biological activities. [ABSTRACT FROM AUTHOR]

Volatile organic compounds (VOCs) and particulate matter (PM) are major constituents of smog. Delhi experiences severe smog during the post-monsoon season, but a quantitative understanding of VOCs and PM sources is still lacking. Here, we conduct a source apportionment study for VOCs and PM using a recent (2022), high-quality dataset of 111 VOCs, PM2.5 , and PM10 in a positive matrix factorization (PMF) model. Contrasts between clean monsoon air and polluted post-monsoon air, VOC source fingerprints, and molecular tracers enabled us to differentiate paddy residue burning from other biomass-burning sources, which had previously been impossible. Burning of fresh paddy residue, as well as residential heating and waste burning, contributed the most to observed PM10 levels (25 % and 23 %, respectively) and PM2.5 levels (23 % and 24 %, respectively), followed by heavy-duty vehicles fuelled by compressed natural gas (CNG), with a PM10 contribution of 15 % and a PM2.5 contribution of 11 %. For ambient VOCs, ozone formation potential, and secondary-organic-aerosol (SOA) formation potential, the top sources were petrol four-wheelers (20 %, 25 %, and 30 %, respectively), petrol two-wheelers (14 %, 12 %, and 20 %, respectively), industrial emissions (12 %, 14 %, and 15 %, respectively), solid-fuel-based cooking (10 %, 10 %, and 8 %, respectively), and road construction (8 %, 6 %, and 9 %, respectively). Emission inventories tended to overestimate residential biofuel emissions at least by a factor of 2 relative to the PMF output. The major source of PM pollution was regional biomass burning, while traffic and industries governed VOC emissions and secondary-pollutant formation. Our novel source apportionment method even quantitatively resolved similar biomass and fossil fuel sources, offering insights into both VOC and PM sources affecting extreme pollution events. This approach represents a notable advancement compared to current source apportionment approaches, and it could be of great relevance for future studies in other polluted cities and regions of the world with complex source mixtures. [ABSTRACT FROM AUTHOR]

Background: Leiomyomas are benign neoplasms that originate from smooth muscle cells and most commonly occur in soft tis- sues, the gastrointestinal tract, and the uterus. Leiomyomas of the pancreas are exceptionally rare, with, to our knowledge, only 6 documented cases prior to this report. This case was also challenging because of the young age of the patient and an atypical initial presentation. Case Report: A 21-year-old male presented with progressive jaundice and severe anemia. Contrast-enhanced computed tomography revealed a heterogeneously hyper enhancing mass in the arterial phase in the head of the pancreas with a double-duct sign. Endoscopic biliary drainage was performed, followed by endoscopic biopsy that revealed amesenchymal tumor; leiomyoma was confirmed with an immunohistochemical evaluation. The patient underwent pancreatic oduodenectomy, and the histopathologic and immunohistochemical examinations of the resected specimen conirmed the diagnosis of a low-grade leiomyoma arising from the ampulla of Vater. Conclusion: This case not only highlights the rarity of pancreatic leiomyomas and the potential for atypical presentation but also emphasizes the importance of considering leiomyoma in the differential diagnosis, even in young patients, and supports surgical resection as the preferred treatment approach. [ABSTRACT FROM AUTHOR]

Key Clinical Message: Uterine artery embolization demonstrated significant efficacy in the treatment of utero‐cervical cancer. This minimally invasive procedure holds promise as a valuable adjunct therapy, potentially offering improved outcomes and reduced morbidity in select cases. Further research is warranted to validate its broader clinical utility. Vaginal bleeding is a common complication of Cervical cancer that can be considered a critical emergency. Conventional hemostatic treatments may occasionally help reduce the bleeding but are not an effective long‐term solution. Uterine Artery Embolization, a minimally invasive intervention, can halt the bleeding, achieving hemostasis, while removing many of the complications that alternative interventions carry. We outline a case study of a patient with extensive vaginal bleeding who had uterocervical malignancy and talk about the benefits of uterine artery embolisation for therapeutic management. [ABSTRACT FROM AUTHOR]

Alphonso, a renowned mango variety cultivated in India, is commercially valuable for its delightful taste, vibrant saffron color, texture, and prolonged shelf life, attracts global attention. Spongy Tissue (ST) disorder is prevalent in mangoes, especially in the Alphonso variety, leading to spongy and corky texture in the fruit's pulp. This issue has been identified in as much as 30% of mangoes in a single lot, resulting in the entire lot being rejected during export due to the delayed detection of the disorder. Current mango quality assessment involves destructive cutting, causing fruit damage, leading to significant loss. Limited physical checks don't ensure overall batch quality. By considering above challenges present study demonstrates on use of X-ray imaging technique for detecting internal quality of mango non-destructively along with machine learning algorithms for automatic binary classification (Non spongy vs. Spongy). For evaluation 648 original X-ray images of mangoes were captured and augmented to 3888 images using different augmentation techniques. For automated classification purposes deep learning (DL) models were used. For automated classification, DL models were employed and fine-tuned through grid search hyperparameter optimization within a 5-fold cross-validation framework. Among the DL models, namely CNN, ResNet50, AlexNet, VGG16, and VGG19, they achieved notable overall accuracy rates of 87.27%, 89.18%, 90.21%, 91.75% and 95.82%, respectively, on the test dataset. Significantly, the VGG19 model demonstrated superior performance with highest classification accuracy by TukeyHSD test. DL in X-ray imaging shows promise for detecting internal issues in fruits, enhancing inspection capabilities for diverse purposes, such as identifying diseases or damages. Highlights: •'Alphonso' is variety of mango that has suffered from spongy tissue malady. •Potential of X-ray imaging was tested for identifying internal spongy tissue defects. •CNN, AlexNet, ResNet, VGG16 and VGG19 models were used for automatic classification. •Models were optimized by hyperparameter tuning and cross-validation technique. •Deep transfer learning models achieved >90% mango binary classification accuracy. [ABSTRACT FROM AUTHOR]

Facial expression recognition (FER) plays a vital role for applications based on human–computer interaction. In the past few years, many deep learning models have been proposed for FER, but their performance is limited due to challenges such as variation in head pose, occlusion, illumination, etc. Moreover, existing models consider input image through holistic view without giving attention to features relevant to expressions. In this work, we propose a deep fusion framework for FER which employs self-attention mechanism to resolve this issue. Furthermore, to improve feature representation of the images, the proposed model transforms the input image to wavelet domain through discrete wavelet transform. The framework employs two parallel branches for shallow and deep features which are fused for better feature representation. The proposed model is evaluated on posed and in-the-wild datasets: CK+, JAFFE, MUG, YALE, RAF, and experimental results validate the effectiveness of the model. [ABSTRACT FROM AUTHOR]

The movement of organic anionic drugs across cell membranes is partly governed by interactions with SLC and ABC transporters in the intestine, liver, kidney, blood–brain barrier, placenta, breast, and other tissues. Major transporters involved include organic anion transporters (OATs, SLC22 family), organic anion transporting polypeptides (OATPs, SLCO family), and multidrug resistance proteins (MRPs, ABCC family). However, the sets of molecular properties of drugs that are necessary for interactions with OATs (OAT1, OAT3) vs. OATPs (OATP1B1, OATP1B3) vs. MRPs (MRP2, MRP4) are not well-understood. Defining these molecular properties is necessary for a better understanding of drug and metabolite handling across the gut–liver–kidney axis, gut–brain axis, and other multi-organ axes. It is also useful for tissue targeting of small molecule drugs and predicting drug–drug interactions and drug–metabolite interactions. Here, we curated a database of drugs shown to interact with these transporters in vitro and used chemoinformatic approaches to describe their molecular properties. We then sought to define sets of molecular properties that distinguish drugs interacting with OATs, OATPs, and MRPs in binary classifications using machine learning and artificial intelligence approaches. We identified sets of key molecular properties (e.g., rotatable bond count, lipophilicity, number of ringed structures) for classifying OATs vs. MRPs and OATs vs. OATPs. However, sets of molecular properties differentiating OATP vs. MRP substrates were less evident, as drugs interacting with MRP2 and MRP4 do not form a tight group owing to differing hydrophobicity and molecular complexity for interactions with the two transporters. If the results also hold for endogenous metabolites, they may deepen our knowledge of organ crosstalk, as described in the Remote Sensing and Signaling Theory. The results also provide a molecular basis for understanding how small organic molecules differentially interact with OATs, OATPs, and MRPs. [ABSTRACT FROM AUTHOR]

Background/aims: When designing a cluster randomized trial, advantages and disadvantages of tentative designs must be weighed. The stepped wedge design is popular for multiple reasons, including its potential to increase power via improved efficiency relative to a parallel-group design. In many realistic settings, it will take time for clusters to fully implement the intervention. When designing the HEALing (Helping to End Addiction Long-termSM) Communities Study, implementation time was a major consideration, and we examined the efficiency and practicality of three designs. Specifically, a three-sequence stepped wedge design with implementation periods, a corresponding two-sequence modified design that is created by removing the middle sequence, and a parallel-group design with baseline and implementation periods. In this article, we study the relative efficiencies of these specific designs. More generally, we study the relative efficiencies of modified designs when the stepped wedge design with implementation periods has three or more sequences. We also consider different correlation structures. Methods: We compare efficiencies of stepped wedge designs with implementation periods consisting of three to nine sequences with a variety of corresponding designs. The three-sequence design is compared to the two-sequence modified design and to the parallel-group design with baseline and implementation periods analysed via analysis of covariance. Stepped wedge designs with implementation periods consisting of four or more sequences are compared to modified designs that remove all or a subset of 'middle' sequences. Efficiencies are based on the use of linear mixed effects models. Results: In the studied settings, the modified design is more efficient than the three-sequence stepped wedge design with implementation periods. The parallel-group design with baseline and implementation periods with analysis of covariance–based analysis is often more efficient than the three-sequence design. With respect to stepped wedge designs with implementation periods that are comprised of more sequences, there are often corresponding modified designs that improve efficiency. However, use of only the first and last sequences has the potential to be either relatively efficient or inefficient. Relative efficiency is impacted by the strength of the statistical correlation among outcomes from the same cluster; for example, the relative efficiencies of modified designs tend to be greater for smaller cluster auto-correlation values. Conclusion: If a three-sequence stepped wedge design with implementation periods is being considered for a future cluster randomized trial, then a corresponding modified design using only the first and last sequences should be considered if sole focus is on efficiency. However, a parallel-group design with baseline and implementation periods and analysis of covariance–based analysis can be a practical, efficient alternative. For stepped wedge designs with implementation periods and a larger number of sequences, modified versions that remove 'middle' sequences should be considered. Due to the potential sensitivity of design efficiencies, statistical correlation should be carefully considered. [ABSTRACT FROM AUTHOR]

Cellular stress is a crucial factor in regulating and maintaining both organismal and microenvironmental homeostasis. It induces a response that also affects the micropolarity of specific cellular compartments, which is essential for early disease diagnosis. In this contribution, we present a quantitative study of micropolarity changes inside the endoplasmic reticulum (ER) during the G1/S and G2/M phases, using a biocompatible small-molecule fluorophore called ER-Oct. This probe is selectively driven to the ER by its hydrophobicity, and it has the fastest diffusion properties among a series of analogous probes. We found that induced ER stress caused cell cycle arrests leading to an increase in ER micropolarity which is well supported by lambda scanning experiments and fluorescence lifetime imaging microscopy (FLIM) as well. ER-Oct is a versatile staining agent that could effectively stain the ER in various living/fixed mammalian cells, isolated ER, Caenorhabditis elegans, and mice tissues. Furthermore, we used this probe to visualize a well-known biological event, ER to Golgi transport, by live-cell fluorescence microscopy. Our exhaustive investigation of micropolarity using ER-staining dye provides a new way to study ER stress, which could provide a deeper understanding of proteostasis in model systems and even in fixed patient samples. [ABSTRACT FROM AUTHOR]

Enormous research efforts to use lithium transition metal-containing layered oxides (LiMO2) as superior alternatives for noble metal oxide catalysts in OER electrocatalysis are currently underway. The mixing of the O(2p) band in M(3d) levels by tuning the oxidation state of transition metal ions by varying the Li content and metal substituents in the crystal structure can greatly enhance the OER activity of the catalyst. Herein, we systematically investigated the OER activity of layered LiyCr1−xNixO2 (y ≤ 1 and 0 ≤ x ≤ 0.2) with different Ni doping amounts synthesized via a solid-state reaction and solution combustion method. The strategy of more electronegative Ni3+-ion substitution in layered LiCrO2 can significantly increase the ionicity of the counterpart Cr–O bond through an inductive effect. Higher ionicity leads to a positive shift in the redox potential, resulting in a greater overlap between the Cr(3d) and O(2p) orbital and thus leading to superior OER activity. We also demonstrated that Ni substitution can considerably induce the oxidation of Cr3+ into the Cr6+ state through the inductive effect, resulting in partial Li-vacancy in the structure, and part of these vacancies is occupied by some of the Cr6+ ions, resulting in the formation of a dumbbell defect in the layered LiyCr1−xNixO2 lattice and contribute to the superior OER activity of the catalyst. Our results reveal that solution combustion synthesized LCNO-10(c) with the nominal composition of LiCr0.9Ni0.1O2 (Tafel slope of 63 mV dec−1 and an overpotential of 277 mV at a current density of 10 mA cm−2) showed superior OER activity among all the synthesized catalysts and remarkably competes with the performance of benchmark RuO2 electrocatalysts (336 mV at 10 mA cm−2). These findings validate that the presence of partial Li vacancy and cation mixing coupled with the inductive effect to enhance the ionicity of neighboring bonds in layered LiCrO2via Ni doping (LiyCr1−xNixO2) can be an effective technique to develop efficient electrocatalysts with superior OER activity. [ABSTRACT FROM AUTHOR]

In this paper, we introduce two novel wavelet approximations tailored for functions g$$ g $$ exhibiting a restricted second derivative and a bounded Tth$$ {T}^{th} $$ derivative. Employing the Hermite wavelet method, we derive these approximations to address the need for effective representations of such functions. Our findings reveal that these new wavelet approximations offer enhanced accuracy and efficiency in capturing the underlying structure of g$$ g $$, making them valuable tools in various applications requiring precise function approximations with limited derivative constraints. [ABSTRACT FROM AUTHOR]

The Arabian Sea (AS), a basin in the North Indian Ocean (NIO), possesses strong coastal upwelling in its eastern and western margins. The spatio-temporal variability of upwelling over Somalia, Oman and the southwest coast of India is analysed using observed datasets. The spectral analysis of upwelling indices highlights that the semi-annual and annual frequencies were dominant by two orders of magnitude compared with the inter-annual variability over these upwelling zones. The inter-annual variability of coastal upwelling was demarcated with variations in the causative forcing of upwelling associated with the positive modes of Indian Ocean Dipole (pIOD), El-Niño Southern Oscillation (El-Niño) and combined pIOD and El-Niño events over the southwest coast of India (SWCI) and Somalia. Along SWCI, the sea surface temperature and meridional wind stress weakened leading to warming associated with the suppression of upwelling during El-Niño, pIOD and combined events. Along Somalia, the upwelling favourable wind stress showed slight weakening due to pIOD and strong decline due to El-Niño and combined modes. Along Oman, the upwelling favourable wind stress indicated negligible changes due to pIOD, an increase due to El-Niño and a slight decline due to combined modes. [ABSTRACT FROM AUTHOR]

Background and Aims: Data focussing on acute kidney injury (AKI) in obstetric patients admitted to the intensive care unit (ICU) are scarce and even more so regarding the role of neutrophil gelatinase-associated lipocalcin (NGAL) in detecting AKI or predicting outcomes in these patients. Hence, we aim to evaluate the incidence of AKI in obstetric ICU patients and validate the role of urinary and serum NGAL in predicting the onset of AKI and mortality. Methods: This prospective observational cohort included 45 obstetric patients admitted in ICU, excluding those with prior renal dysfunction. Serum creatinine and urine output were monitored for the occurrence of AKI during the ICU stay. The outcome of the patient (survival or death) in the ICU and hospital was recorded, and serum and urinary NGAL were determined at the time of ICU admission. Results: AKI occurred in 32 [71.1%; 95% confidence interval (CI): 55.4%, 86.8%] patients during their ICU stay. Serum NGAL showed an area under receiver operating characteristic curve (AUROCC) of 0.630 (95% CI: 0.417, 0.842) (P = 0.231) for AKI and 0.486 (95% CI: 0.295, 0.676) (P = 0.883) for ICU mortality. Urinary NGAL showed AUROC = 0.472 (95% CI: 0.285, 0.660) (P = 0.772) to predict AKI and 0.430 (95% CI: 0.268, 0.652) (P = 0.684) for ICU mortality. Conclusions: AKI is common amongst critically ill obstetric ICU patients. However, serum and urinary NGAL cannot be advocated to discriminate between patients with or without AKI or between survivors and non-survivors in critically ill obstetric patients. [ABSTRACT FROM AUTHOR]

The fabrication complexity and cost associated with nanoscale devices are major concerns. Therefore, to address these challenges, we have introduced a mole fraction-based approach for the sensitivity analysis of a dual material control gate cavity on a source electrically doped polarity-controlled tunnel field effect transistor (DMCG-CS-ED-PC-TFET)-based biosensor for label-free detection of biomolecule species. For this purpose, a polarity bias (electrically doped) of PG- 1 = + 1. 2 V and PG- 2 = − 1. 2 V is applied for the formation of n+ drain and p+ source regions, respectively, over the thin silicon body. The proposed device structure overcomes the random dopant fluctuation issues, thereby avoiding thermal budget and fabrication complexity as compared to the conventional TFET. Moreover, the nanogap cavity is created by etching the appropriate portion at the source side oxide layer. Furthermore, we have applied a dual metal work function (M1 and M2) at the gate electrode along with hetero material Si 1 − X Ge X at the source side region to improve the sensitivity of the device by varying the mole fraction value (X). The performance of the proposed device has been evaluated in terms of variations in carrier concentration profile, electric field variation, energy band diagram, transfer ( I DS − V GS ) characteristics and the sensitivity in terms of drain current (I DS ), ON-state current (I ON ) and switching ratio (I ON /I OFF ). Furthermore, the sensitivity of the proposed device biosensor has been investigated by considering nanocavity dimensions, practical challenges such as various fill factors, and various step profiles generated from steric hindrance. For this purpose, different neutral biomolecules such as Biotin (k = 2. 6 3), APTES (k = 3. 5 7), Keratin (k = 8), Ferrocytochrome C (k = 4. 7) and Gelatin (k = 1 2) have been considered in the etched nanocavity region. Additionally, charged biomolecules with positive (negative) charge densities at the oxide semiconductor interface below the nanocavity region have been incorporated to assess the performance of the proposed device using the Silvaco ATLAS device simulator. In this analysis, the proposed biosensor achieves a drain current sensitivity of 5. 6 5 × 1 0 1 0 for neutral biomolecules (k = 1 2), 6. 2 × 1 0 1 0 for ρ = 1 × 1 0 1 2 cm − 2 with k = 1 2 and 1. 2 × 1 0 1 1 for ρ = − 1 × 1 0 1 2 cm − 2 and k = 1 2. Finally, the performance of the proposed biosensor, DMCG-CS-ED-PC-TFET, exhibits higher sensitivity compared to various existing TFET-based biosensors. Hence, the proposed biosensor exhibits the potential candidate for the development of future sensing bio-equipment. [ABSTRACT FROM AUTHOR]

This study aimed to progress the understanding of idiopathic hypersomnia (IH) by assessing the moderating influence of individual characteristics, such as age, sex, and body mass index (BMI) on sleep architecture. In this retrospective study, 76 IH participants (38.1 ± 11.3 years; 40 women) underwent a clinical interview, an in-laboratory polysomnography with a maximal 9-h time in bed and a multiple sleep latency test (MSLT). They were compared to 106 healthy controls (38.1 ± 14.1 years; 60 women). Multiple regressions were used to assess moderating influence of age, sex, and BMI on sleep variables. We used correlations to assess whether sleep variables were associated with Epworth Sleepiness Scale scores and mean sleep onset latency on the MSLT in IH participants. Compared to controls, IH participants had shorter sleep latency (p = 0.002), longer total sleep time (p < 0.001), more time spent in N2 sleep (p = 0.008), and showed trends for a higher sleep efficiency (p = 0.023) and more time spent in rapid eye movement (REM) sleep (p = 0.022). No significant moderating influence of age, sex, or BMI was found. More severe self-reported sleepiness in IH patients was correlated with shorter REM sleep latency and less N1 sleep in terms of proportion and duration (ps < 0.01). This study shows that, when compared to healthy controls, patients with IH had no anomalies in their sleep architecture that can explain their excessive daytime sleepiness. Moreover, there is no moderating influence of age, sex, and BMI, suggesting that the absence of major group differences is relatively robust. [ABSTRACT FROM AUTHOR]

Objective: Practitioners and scientists are re-examining marginalised wound care therapies to find strategies that combat the growing problem of antimicrobial resistance (AMR) without compromising patient outcomes. Maggot therapy (MT) makes up just an estimated 0.02% of UK's National Health Service spending on wound care. This study aims to uncover why MT is not used more often, despite its affordability and high level of efficacy for both debridement and disinfection, particularly in the context of AMR infections, and to determine what can be done to ensure MT is more effectively used in the future to improve patient outcomes and manage the growing problem of AMR. Method: For this investigation, a qualitative review of case studies using MT against AMR infections and a quantitative analysis of randomised control trials (RCTs) were performed using the Preferred Reporting Items for Systematic Reviews and Meta-Analyses framework. Results: Analysis showed that MT is highly effective against a range of infections and wound types, and compares well against conventional therapies. The low use of MT may be due in part to the documented 'yuck factor', often associated with maggots as well as misconceptions around the cost, efficacy and accessibility of MT. To overcome these factors, more RCTs on the spectrum and efficacy of MT across various clinical manifestations are needed, as well as professional and public engagement campaigns. Conclusion: MT is an underused therapy, particularly regarding AMR infections, and expanding its use in these circumstances appears warranted. MT could play a vital role in conserving the efficacy of the existing pool of antimicrobials available and should be considered in the development of antimicrobial stewardship programmes. Declaration of interest: This work was supported by the Swansea Employability Academy, Swansea University (internal funding). The authors have no conflicts of interest to declare. [ABSTRACT FROM AUTHOR]

In today's fast‐paced business environment, organizations are increasingly recognizing the critical role of employee engagement in attaining long‐term success and competitiveness. Industries increasingly utilize employee engagement systems to improve public perceptions by incorporating human resource management practices, psychological ownership, job crafting, and organizational citizenship behaviors. These elements are focused on reducing the effects of employee turnover. Therefore, this article aims to represent the factors and subfactors influencing employee engagement and develop an employee engagement index. In this research, an employee engagement index was formulated and the positive impact of factors influencing employee engagement was evaluated using a graph‐theoretic and matrix approach (GTMA). This index measures the number of factors in an organization conducive to creating an engaging environment among employees. It gives information about aspects at the system and subsystem levels. A step‐by‐step procedure for implementing methodology is provided, along with an example that may assist an organization. [ABSTRACT FROM AUTHOR]

The fabrication complexity, leakage current, low-power operation, and cost of nano-scale devices are major concerns. To address these challenges, we propose a dual oxide-based approach to enhance the performance of the dual oxide electrically doped junction-less tunnel field-effect transistor (DO-ED-JL-TFET). For this purpose, the oxide layer ( T ox ) is vertically segmented into two sections. The lower section comprises SiO 2 (low-K dielectric), while the upper section incorporates HfO 2 (high-K dielectric). This segmentation enhances the capacitive coupling between the gate and channel area, resulting in a reduced tunneling width near the source-channel region. Moreover, a polarity gate bias (electrically doped) of PG = -1.2 V is applied to create a P + source region over the thin silicon body. The proposed device addresses challenges such as random dopant fluctuation, thermal budget, and fabrication complexity issues compared to conventional TFETs. The performance of the proposed device has been assessed in terms of variations in carrier concentrations, electric field, energy band diagram, transfer (I ds - V gs ) characteristics, subthreshold swing (SS), and switching ratio (I on /I off ). Moreover, analog/RF performance parameters such as transconductance (g m ), cutoff frequency (f T ), and gain bandwidth product (GBP) are also analyzed and compared with conventional ED-JL-TFET. Furthermore, the impact of trap charges at the oxide-semiconductor interface on device performance is investigated for reliability. Simulated results demonstrate that DO-ED-JL-TFET exhibits greater immunity to various types of ITCs compared to conventional ED-JL-TFET, making it a more reliable choice for applications in radioactive environments. [ABSTRACT FROM AUTHOR]

Businesses of the 21st century are utilizing technology in developing offerings for the growth of their businesses. From taking a minor role in formulating business decisions, technologies now have a larger stake. Disruptive technologies like artificial intelligence, virtual reality, robotics, blockchain, 3D printing, 5G, Internet‐of‐Things, digital twins and augmented reality are changing how marketing strategies are developed and consumer behaviour is shaped. Our special issue contributes to enhancing the academic and industry‐relevant knowledge of such new‐age technologies and their marketing implications. The papers in this issue focus on the changing consumer behaviour in sectors like healthcare, apparel, footwear to highlight the critical role played by disruptive tech in shaping the modern world marketing and business plans. [ABSTRACT FROM AUTHOR]

We study a class of nonlocal games, called transitive games, for which the set of perfect strategies forms a semigroup. We establish several interesting correspondences of bisynchronous transitive games with the theory of compact quantum groups. In particular, we associate a quantum permutation group with each bisynchronous transitive game and vice versa. We prove that the existence of a C*-strategy, the existence of a quantum commuting strategy, and the existence of a classical strategy are all equivalent for bisynchronous transitive games. We then use some of these correspondences to establish necessary and sufficient conditions for some classes of correlations, that arise as perfect strategies of transitive games, to be nonlocal. [ABSTRACT FROM AUTHOR]

Background: Parkinson’s disease (PD) is the second most common neurodegenerative disorder. It is characterized by dopamine deficiency which leads to classical motor dysfunctions. In addition, Parkinson’s disease may include several non-motor impairments, including autonomic and cardiovascular dysfunction. At present clinical diagnostic criteria for Parkinson’s disease are exclusively based on motor symptoms and the treatment for Parkinson’s disease mainly improves motor symptoms. Non motor symptoms, especially autonomic symptoms are still under recognized in clinical practice. The current study aimed to evaluate these autonomic functions by using Heart Rate Variability (HRV) and Composite Autonomic Symptom Score 31 questionnaire (COMPASS 31). Materials and Methods: This cross-sectional study included 137 diagnosed cases of PD. The resting autonomic balance was assessed by HRV test which included frequency domain indices, time domain indices and nonlinear parameters. Non motor symptoms were assessed by using COMPASS 31 questionnaire which evaluated six domains namely orthostatic intolerance, vasomotor, secretomotor, gastrointestinal, bladder and pupillomotor domains. The six domain scores sum to a total score of 0 to 100 with a higher score indicating more severe autonomic symptoms. Results: The participants showed a sympathetic overdrive on assessing with HRV. Among the non-motor symptoms gastrointestinal symptoms were the most common symptoms (95.62%) in Parkinson’s disease patients. Subsequently there was involvement of secretomotor (85.4%), bladder symptoms (71.53%), pupillomotor symptoms (52.55%), orthostatic intolerance symptoms (50.36%) and vasomotor symptoms (13.14%) on evaluating autonomic functions by COMPASS 31 questionnaire. A statistically significant correlation was observed between HF (ms2) and COMPASS 31 questionnaire (p<0.05). Conclusion: The autonomic function tests can be used as a screening tool in outpatient department of Neurology. This could reduce the morbidity of Parkinson’s disease patients as we employ these autonomic function tests as an early intervention for Parkinson’s disease. COMPASS 31 questionnaire can be used in health care centres for early detection of neurodegenerative disorders like Parkinson’s disease which could prevent the disease progression and aid in early treatment plan. [ABSTRACT FROM AUTHOR]

Foundation models are transforming artificial intelligence (AI) in healthcare by providing modular components adaptable for various downstream tasks, making AI development more scalable and cost-effective. Foundation models for structured electronic health records (EHR), trained on coded medical records from millions of patients, demonstrated benefits including increased performance with fewer training labels, and improved robustness to distribution shifts. However, questions remain on the feasibility of sharing these models across hospitals and their performance in local tasks. This multi-center study examined the adaptability of a publicly accessible structured EHR foundation model (FMSM), trained on 2.57 M patient records from Stanford Medicine. Experiments used EHR data from The Hospital for Sick Children (SickKids) and Medical Information Mart for Intensive Care (MIMIC-IV). We assessed both adaptability via continued pretraining on local data, and task adaptability compared to baselines of locally training models from scratch, including a local foundation model. Evaluations on 8 clinical prediction tasks showed that adapting the off-the-shelf FMSM matched the performance of gradient boosting machines (GBM) locally trained on all data while providing a 13% improvement in settings with few task-specific training labels. Continued pretraining on local data showed FMSM required fewer than 1% of training examples to match the fully trained GBM's performance, and was 60 to 90% more sample-efficient than training local foundation models from scratch. Our findings demonstrate that adapting EHR foundation models across hospitals provides improved prediction performance at less cost, underscoring the utility of base foundation models as modular components to streamline the development of healthcare AI. [ABSTRACT FROM AUTHOR]