It is argued that the compressibility of individual atoms is distinct from the compressibility of matter as a whole. The latter arises from variations in interatomic spacing, whereas the former is a purely quantum effect, characteristic of a given atomic species. Its magnitude can be deduced by solving the Schrödinger equation for an individual many-electron atom with modified external boundary conditions. Over a wide range of parameter space, quantum dilation or compression remains isoelectronic for neutral atoms but, at ultra-high pressures, reordering of their shell structure can occur. Their compression then ceases to be isoelectronic and their chemical properties, as well as their positioning in the Periodic Table, undergo sudden change.

Due to the inherent limitations of a single viewpoint, reconstructing 3D human meshes 1 from a single image has long been a challenging task. While deep learning networks enable us to 2 approximate the shape of unseen sides, capturing the texture details of the non-visible side remains 3 difficult with just one image. Traditional methods utilize Generative Adversarial Networks (GANs) 4 to predict the normal maps of the non-visible side, thereby inferring detailed textures and wrinkles 5 on the model’s surface. However, we have identified challenges with existing normal prediction 6 networks when dealing with complex scenes, such as a lack of focus on local features and insufficient 7 modeling of spatial relationships.To address these challenges, we introduce EMAR—Enhanced 8 Multi-scale Attention-driven Single Image 3D Human Reconstruction. This approach incorporates 9 a novel Enhanced Multi-Scale Attention (EMSA) mechanism, which excels at capturing intricate 10 features and global relationships in complex scenes. EMSA surpasses traditional single-scale attention 11 mechanisms by adaptively adjusting the weights between features, enabling the network to more 12 effectively leverage information across various scales.Furthermore, we have improved the feature 13 fusion method to better integrate representations from different scales. This enhanced feature fusion 14 allows the network to more comprehensively understand both fine details and global structures 15 within the image. Finally, we have designed a hybrid loss function tailored to the introduced attention 16 mechanism and feature fusion method, optimizing the network’s training process and enhancing the 17 quality of reconstruction results.Our network demonstrates significant improvements in performance 18 for 3D human model reconstruction. Experimental results show that our method exhibits greater 19 robustness to challenging poses compared to traditional single-scale approaches.

Rubella infection is typically mild or asymptomatic except when infection occurs during pregnancy. Infection in early pregnancy can cause miscarriage, stillbirth, or congenital rubella syndrome. Only individuals that are still susceptible to rubella infection during child-bearing age are vulnerable to this burden. Rubella containing vaccine (RCV) is safe and effective, providing life-long immunity. However, average age-at-infection increases with increasing vaccination coverage, which could potentially lead to increased disease burden as well, if the absolute risk of infection during child-bearing age increases. Dynamics of rubella transmission were explored using EMOD, a software tool for building stochastic, agent-based infection models. Simulations of pre-vaccine, endemic transmission of rubella virus introduced RCV at varying levels of coverage to determine the expected future trajectories of disease burden. Introducing RCV reduces both rubella virus transmission and disease burden for a period of around 15 years. Increased disease burden is only possible more than a decade post-introduction, and only for contexts with low current burden and high transmission intensity. Low or declining rubella virus transmission intensity is concurrently associated with both greater disease burden and greater vaccine effectiveness. The risk of increasing burden through vaccination only exists for locations with persistently high infectivity, high connectivity, and high fertility. A trade-off between the risk of a small, future burden increase and a large, immediate burden decrease strongly favors RCV introduction.

In the evolving digital landscape, the pervasive influence of Artificial Intelligence (AI) on social media platforms reveals a compelling paradox: the capability to provide personalized experiences juxtaposed with inherent biases reminiscent of human imperfections. Such biases prompt rigorous contemplation on matters of fairness, equity, and societal ramifications, and penetrate the foundational essence of AI. Within this intricate context, the research ventures into novel domains by examining the potential of quantum computing as a viable remedy for bias in artificial intelligence. The conceptual framework of the Quantum Sentinel is presented - an innovative approach that employs quantum principles for the detection and scrutiny of biases in AI algorithms. Furthermore, the study poses and investigates the question of whether the integration of advanced quantum computing to address AI bias is seen as an excessive measure or a requisite advancement commensurate with the intricacy of the issue. By intertwining quantum mechanics, AI bias, and the philosophical considerations they induce, this research fosters a discourse on the journey toward ethical AI, thus establishing a foundation for an ethically conscious and balanced digital environment.

This article delves into the intersection of generative AI and digital twins within drug discovery, exploring their synergistic potential to revolutionize pharmaceutical research and development. Through various instances and examples, we illuminate how generative AI algorithms, capable of simulating vast chemical spaces and predicting molecular properties, are increasingly integrated with digital twins of biological systems to expedite drug discovery. By harnessing the power of computational models and machine learning, researchers can design novel compounds tailored to specific targets, optimize drug candidates, and simulate their behavior within virtual biological environments. This paradigm shift offers unprecedented opportunities for accelerating drug development, reducing costs, and, ultimately, improving patient outcomes. As we navigate this rapidly evolving landscape, collaboration between interdisciplinary teams and continued innovation will be paramount in realizing the promise of generative AI and digital twins in advancing drug discovery.

Inhibition of amyloid fibril formation could benefit patients with systemic amyloidosis. In this group of diseases, deposition of amyloid fibrils derived from normally soluble proteins leads to progressive tissue damage and organ failure. Although many small molecules have been proposed as inhibitors of amyloid formation, few have been successful in clinical trials. Amyloid formation is complex and several individual steps could be targeted by small molecules. However, the exact mechanism of action for a molecule is often not known, which impedes medicinal chemistry efforts to develop more potent molecules. Furthermore, commonly used assays are prone to artifacts that must be controlled for. Here, potential mechanisms by which small molecules could inhibit aggregation of immunoglobulin light chain dimers, the precursor proteins for AL amyloidosis are studied in assays that recapitulate different aspects of amyloidogenesis in vitro. One molecule reduced unfolding-coupled proteolysis of light chains, but no molecules inhibited aggregation of light chains or disrupted pre-formed amyloid fibrils. This work demonstrates the challenges associated with drug development for amyloidosis, but also highlights the potential to combine therapies that target different aspects of amyloidogenesis.

The morbidity and mortality caused by invasive fungal infections is increasing across the globe due to developments in transplant surgery, the use of immunosuppressive agents, and the emergence of drug-resistant fungal strains, which has led to a challenge in terms of treatment due to the limitations of three classes of drugs. Hence, it is imperative to establish effective strategies to identify and design new antifungal drugs. Drug repurposing is an effective way of expanding the application of existing drugs. In the last years, various existing drugs have been shown to be useful in the prevention and treatment of the invasive fungi. In this review, we summarize the currently used antifungal agents. In addition, the most up to date information on the effectiveness of existing drugs with antifungal activity is discussed. Moreover, the antifungal mechanisms of existing drugs are highlighted. These data will provide valuable knowledge to stimulate further investigation and clinical application in this field.

G protein-coupled receptors (GPCRs) are critical drug targets. GPCRs convey signals from the extracellular to the intracellular environment through G proteins. There is evidence that some ligands that bind to the GPCRs activate different downstream signaling pathways. G protein activation or -arrestin biased signaling involves ligands binding to receptors and stabilizing conformations that trigger a specific pathway. Molecular dynamics (MD) simulations are especially valuable for obtaining detailed mechanistic information, including identification of allosteric sites and understanding modulators' interactions between receptors and ligands. Here, we highlight recent simulation studies and methods used to study biased G protein-coupled receptor signaling and their conformational dynamics. We also highlight applications of MD simulations to drug discovery.

In an era of unparalleled technical advancement, the pharmaceutical industry is struggling to transform data into increased research and development efficiency, and as a corollary, new drugs for patients. Here, we briefly review some of the commonly discussed issues around this counterintuitive innovation crisis. Looking at both industry and science related factors, we posit that traditional preclinical research is front-loading the development pipeline with data and drug candidates that are unlikely to succeed in patients. Applying a first principles analysis, we highlight the critical culprits and provide suggestions as to how these issues can be rectified through pursuit of a Human Data-driven Discovery (HD3) paradigm. Consistent with other examples of disruptive innovation, we propose that new levels of success are not dependent on new inventions, but rather the strategic integration of existing data and technology assets. In support of these suggestions, we highlight the power of HD3, through recently published proof-of-concept applications in the areas of drug safety analysis and prediction, drug repositioning, rational design of combination therapies and the global response to the Covid19 pandemic. We conclude that innovators must play a key role in expediting the path to a largely human focused, systems-based approach to drug discovery and research.

IoT is a new communication paradigm that gains a very high importance in the past few years. This communication paradigm supports various heterogeneous applications in many fields and with the dramatic increase of the number of sensor devices, it becomes a demand. Designing IoT networks faces many challenges that include security, massive traffic, high availability, high reliability and energy constraints. Thus, new communication technologies and paradigms should be deployed for IoT networks to overcome these challenges and achieve high system performance. Distributed computing techniques (e.g. fog and MEC), software defined networking (SDN), network virtualization and blockchain are common recent paradigms that should be deployed for IoT networks, either combined or individually, to achieve the main requirements of the IoT networks at a high system performance. Fog computing is a form of edge computing that has been developed to provide the computing capabilities (e.g. storage and processing) at the edge of the access network. Employing Fog computing in IoT networks, as an intermediate layer between IoT devices and the remote cloud, becomes a demand to make use of the edge computing benefits. In this work, we provide a framework for the IoT system structure that employs an edge computing layer of Fog nodes controlled and managed by SDN network with the blockchain technology to achieve a high level of security for latency sensitive IoT applications. The proposed system employs SDN network with distributed controllers and distributed OpenFlow switches; these switches are enabled with limited computing and processing capabilities. Furthermore, a data offloading algorithm is developed to allocate different processing and computing tasks to the distributed OpenFlow switches with available resources. Moreover, a traffic model is proposed to model and analyze the traffic among different parts of the network. The proposed work achieves various benefits to the IoT network, such as the latency reduction, security improvement and high efficiency of resources utilization. The proposed algorithm is simulated and also the proposed system is experimentally tested over a developed testbed to validate the proposed structure. Experimental results show that the proposed system achieves higher efficiency in terms of latency, security and resource utilization.

Microwave technology, foundational in quantum computing, utilizes precise control of quantum states via microwave pulses to manage quantum bits (qubits). This review explores the potential of leveraging these principles in neuroscience, where such technology could enable novel approaches to imaging, diagnosing, and treating neurological disorders. By comparing the techniques used in quantum computing with potential applications in neural circuit manipulation and brain activity monitoring, we highlight both the promising synergies and the significant challenges at the intersection of these fields. This interdisciplinary exploration not only underscores the transformative potential of microwave technology in neuroscience but also addresses the ethical considerations and technological hurdles that accompany the integration of advanced quantum mechanics into biological contexts. The convergence of microwave technology with neural science opens a pathway for breakthroughs in understanding and treating complex brain disorders, advocating for a cautious yet optimistic approach towards future research and application.

The integration of nanoparticles in biomedical applications requires precise analysis of their photochemical properties. However, computational simulations of these properties are computationally intensive, hindering rapid advancement. This study explores the implementation of Graphics Processing Unit (GPU) acceleration techniques to enhance computational efficiency in analyzing nanoparticle photochemistry within bioinformatics frameworks.By leveraging GPU parallel processing capabilities, we developed optimized algorithms for photochemical property simulations, achieving significant speedup over traditional Central Processing Unit (CPU)-based methods. Our GPU-accelerated framework demonstrated substantial performance gains in computing photochemical properties, such as absorption spectra and energy transfer rates.

This paper proposes a paradigm shift in AI governance by integrating Indigenous knowledge systems to foster inclusivity and cultural sensitivity. Traditional AI governance frameworks are primarily Western-centric, often overlooking the community-oriented values and ethical considerations essential to Indigenous cultures. This study highlights principles such as Kaitiakitanga from Māori culture, which emphasizes guardianship and environmental stewardship, and Hózhó from Navajo philosophy, which stresses harmony and balance. By engaging Indigenous leaders and knowledge holders throughout the AI lifecycle, this approach ensures technology aligns with community values, addressing critical issues like data sovereignty, ethical technology use, and cultural sensitivity. This paper underscores the necessity of relational accountability in AI governance, which includes prioritizing the health of ecosystems alongside community welfare. This model advocates for an AI framework that not only rectifies historical marginalization but also empowers Indigenous communities to shape the technologies affecting their lives. Furthermore, integrating Indigenous perspectives strengthens the ethical foundation of AI systems, advancing sustainability, social justice, and cultural responsiveness in technology applications. The proposed framework illustrates how Indigenous ethical concepts can transform AI governance by aligning technological progress with values of ecological stewardship and community welfare, creating an AI landscape that respects and reflects diverse cultural contexts. Ultimately, this research demonstrates that Indigenous knowledge systems can significantly enhance AI’s effectiveness and equity, paving the way for more sustainable and culturally attuned technological solutions.

Precision metagenomic approaches using Oxford Nanopore Technology (ONT) sequencing has been shown to allow recovery of complete genomes of Escherichia coli O157:H7 from overnight enrichments of agricultural waters. This study tests the applicability of a similar approach for Cronobacter genome recovery from powdered infant formula (PIF) overnight enrichments, where Cronobacter typically dominates the overall microbiome (>90%). In this study, we aimed to test whether using ONT sequencing of overnight PIF enrichments could recover a completely closed Cronobacter genome for further genomic characterization. Ten PIF samples, each inoculated with different Cronobacter strains, covering Cronobacter sakazakii, C. muytjensii, C. dublinensis, C. turicensis, and C. universalis, were processed according to the Bacteriological Analytical Manual (BAM) protocol. qPCR was used for initial screening (detection and quantification) of the overnight enrichments and confirmed that the spiked PIF samples after the overnight enrichment have high levels of Cronobacter (107 to 109 CFU/mL). DNA from overnight PIF enrichments was extracted from the enrichment broth and sequenced using ONT. Results showed that ONT sequencing could accurately identify, characterize, and close the genomes of Cronobacter strains from overnight PIF enrichments in 3 days, much faster than the nearly two weeks required by the current BAM method. Complete genome recovery and species differentiation were achieved. This suggests that combining qPCR with ONT sequencing provides a rapid, cost-effective alternative for detecting and characterizing Cronobacter in PIF, enabling timely corrective actions during outbreaks.

Sentiment analysis has become an important tool for understanding public opinion across languages and domains. Recently, there has been an increase in the number of studies on sentiment analysis in low-resource languages such as Kazakh. This is important to ensure that modern text analysis technologies are accessible to all users, regardless of their language background. The aim of the study is to create a sentiment analysis model for analyzing texts in Kazakh. As part of this work, we aim to use fine-tuning techniques on our own dataset for already existing models, thus improving their accuracy and efficiency for analyzing Kazakh language texts. This paper presents a manually collected dataset "KazIntTelCom" from the city information service 2GIS, consisting of user reviews, manually annotated by the authors taking into account the polarity of sentiment (i.e. negative positive or neutral). This dataset was used to fine-tune two pre-trained multi-lingual Transformer-based sentiment analysis models taken from the HuggingFace platform. The distillBERT and XLM-RoBERTa models were used for tuning. Also, the models were tested on the dataset "KazSAnDRA". The results show that accurate tuning even on a relatively small dataset gives a significant increase in performance, which is confirmed by an increase in the accuracy index by 20%-30%. In addition, false misses and false detections are analyzed, which allows us to identify directions for further improvement of the models. The contribution of this work, in addition to the dataset, is the analysis of model errors, which will help future developers to make more accurate settings of hyperparameters of training for sentiment analysis in Kazakh. These results are important for natural language processing and their adaptation to low-resource languages, promoting more inclusive and equitable access to modern analytical tools. Thus, this study demonstrates the effectiveness of the Transformers architecture for sentiment analysis in Kazakh and opens new opportunities for further model improvement.

Introduction: The combination of Virtual Screening (VS) techniques with in vivo screening in the zebrafish model is currently being used in tandem for drug development in a faster and more efficient way. Areas covered: We review the different virtual screening techniques, the use of zebrafish as a vertebrate model for drug discovery and the synergy that exists between them. Expert opinion: We highlight the advantages of combining virtual and zebrafish larvae screening for drug discovery. On the one hand, VS is a faster and cheaper tool for searching active compounds and possible candidates for therapy than in vivo screening when processing large compound libraries. On the other hand, zebrafish larvae form a vertebrate model which allows in vivo screening of large amounts of the compounds. Importantly physiology and chemical response are mostly conserved between zebrafish and mammals. The availability of the transgenic and mutant zebrafish lines allows an analysis of a specific phenotype upon treatment along with toxicity, off-target effect, side effects, and dosage. Advantages of VS, in vivo whole animal approach screening, and the screening combinations are also reviewed.

Cloud computing refers to applications delivered as services over the Internet. Cloud systems employ policies that are inherently dynamic in nature and that depend on temporal conditions defined in terms of external events, such as the measurement of bandwidth, use of hosts, intrusion detection or specific time events. In this paper, we investigate an optimized resource management scheme named v-Mapper. The basic premise of v-Mapper is to exploit application-awareness concepts using software-defined networking (SDN) features. This paper makes three key contributions to the field: (1) We propose a virtual machine (VM) placement scheme that can effectively mitigate the VM placement issues for data-intensive applications; (2) We propose a validation scheme that will ensure that a service is entertained only if there are sufficient resources available for its execution and (3) We present a scheduling policy that aims to eliminate network load constraints. An evaluation was carried out with various benchmarks and demonstrated that v-Mapper shows improved performance over other state-of-the-art approaches in terms of average task completion time, service delay time and bandwidth utilization. Given the growing importance of supporting large-scale data processing and analysis in datacentres, the v-Mapper system has the potential to make a positive impact in improving datacentre performance in the future.

Although there are several access control systems in the literature for flexible policy management in multi-authority and multi-domain environments, achieving interoperability & scalability, without relying on strong trust assumptions, is still an open challenge. We present HMBAC, a distributed fine-grained access control model for shared and dynamic multi-authority and multi-domain environments, along with Janus, a practical system for HMBAC policy enforcement. The proposed HMBAC model supports: (a) dynamic trust management between different authorities; (b) flexible access control policy enforcement, defined at domain and cross-domain level; (c) a global source of truth for all entities, supported by an immutable, audit-friendly mechanism. Janus implements the HMBAC model and relies on the effective fusion of two core components. First, a Hierarchical Multi-Blockchain architecture that acts as a single access point that cannot be bypassed by users or authorities. Second, a Multi-Authority Attribute Based Encryption protocol that supports flexible shared multi-owner encryption, where attribute keys from different authorities are combined to decrypt data distributedly stored in different authorities. Our approach was implemented using Hyperledger Fabric as the underlying blockchain, with the system components placed in Kubernetes Docker container pods. We experimentally validated the effectiveness and efficiency of Janus, while fully reproducible artifacts of both our implementation and our measurements are provided.

This study presents a novel predictive model to address the churn problem in the motor insurance sector using a dual-phase framework. The first phase employs a cave-degree perturbation technique for effective feature selection, while the second phase applies the Magnetic Force Perturbation Technique (MFPT) to optimize the search process and avoid local optima traps. Two metaheuristics are proposed: the Adaptive Random Forest-Assisted Large Neighborhood Feature Optimizer (ARALFO) and the Adaptive Random Forest Particle Swarm Optimizer (ARFPSO) to enhance churn prediction accuracy. The model was evaluated on two real-world motor insurance datasets, achieving a 95% accuracy rate and outperforming state-of-the-art algorithms. An ablation study confirmed the significant impact of the cave-degree and MFPT techniques in boosting predictive performance.

As the adoption of renewable energy sources grows, ensuring a stable power balance across various time frames has become a central challenge for modern power systems. In line with the "dual carbon" objectives and the seamless integration of renewable energy sources, harnessing the advantages of various energy storage resources and coordinating the operation of long-term and short-term storage have become pivotal directions for future energy storage deployment. To address the complexities arising from the coupling of different time scales in optimizing energy storage capacity, this paper proposes a method for energy storage planning that accounts for power imbalance risks across multiple time scales. Initially, the Seasonal and Trend decomposition using the Loess (STL) decomposition method is utilized to temporally decouple actual operational data. Subsequently, power balance computations are performed based on the obtained data at various time scales to optimize the allocation of different types of energy storage capacities and assess the associated imbalance risks. Finally, the effectiveness of the proposed approach is validated through hourly applications using real-world data from a province in China over recent years.

Confusion, fear and mixed sentiments prevail in the minds of people towards what is arguably one of the most important of dynamics of modern human society: Artificial Intelligence (AI). This study aims to explore the contributions of news media towards this phenomenon - we analyze nearly seventy thousand recent news headlines on AI, using natural language processing (NLP) informatics methods, machine learning (ML) and large language models (LLMs) to draw insights and discover dominant themes. Our theoretical framework was derived from extant literature which posits the power of fear producing articles and news headlines which produce significant impacts on public behavior even when available in small quantities. We applied extensive textual informatics methods using word and phrase frequency analytics, sentiment analysis and human experts based thematic analysis to discover insights on AI phobia inducing news headlines. Our rigorous analysis of nearly seventy thousand headlines using multiple validation methods in NLP (exploratory informatics including BERT, Llama 2 and Mistral based topic identification), ML (supervised informatics) and LLMs (neural nets for sentiment classification, with BERT, Llama 2 and Mistral) demonstrates the presence of an unreasonable level of emotional negativity and fear inducing verbiage in AI news headlines. The framing of AI as being dangerous or as being an existential threat to humanity can have a profound impact on public perception, and the resulting AI phobia and confusion in public perceptions are inherently detrimental to the science of AI. Furthermore, this can also impact AI policy and regulations, and harm society. We conclude with a discussion deducing implications for society and make recommendations for education and policies that could support human identity and dignity.

Face verification for unrestricted faces in the wild is a challenging task. This paper proposes a method based on two deep convolutional neural networks(CNN) for face verification. In this work, we explore to use identification signal to supervise one CNN and the combination of semi-verification and identification to train the other one. In order to estimate semi-verification loss at a low computation cost, a circle, which is composed of all faces, is used for selecting face pairs from pairwise samples. In the process of face normalization, we propose to use different landmarks of faces to solve the problems caused by poses. And the final face representation is formed by the concatenating feature of each deep CNN after PCA reduction. What's more, each feature is a combination of multi-scale representations through making use of auxiliary classifiers. For the final verification, we only adopt the face representation of one region and one resolution of a face jointing Joint Bayesian classifier. Experiments show that our method can extract effective face representation with a small training dataset and our algorithm achieves 99.71% verification accuracy on LFW dataset.

The recent development of Wearable Exoskeletons has stressed their effectiveness in assisting humans for rehabilitation and augmentation purposes. These devices interact with the user, therefore their actuators and power transmission mechanisms are fundamental for improving physical Human-Robot Interaction (pHRI). The enhanced advancement of 3D-printing technology as a valuable approach for creating light and efficient gearboxes allows for exploring multiple reducers’ designs. However, to the authors’ knowledge, only sporadic implementations with relatively low reduction ratios are reported, and the respective experimental validations usually differ from each other, preventing a comprehensive evaluation of different design and implementation choices. In this paper, we design, develop, and examine experimentally multiple 3D-printed gearboxes conceived for wearable assistive devices. Two relevant transmission ratios (1:30 and 1:80) and multiple designs, that include single and double-stage compact cam cycloidal drives, compound planetary gearboxes, and the series of cycloidal and planetary architectures have been compared to assess the worth of 3D-printed reducers in Human-Robot Interaction applications. The resulting prototypes were examined by evaluating their weight, cost, back-driveability, friction, regularity of the reduction ratio, gear play, and stiffness. The results show that the developed gearboxes represent valuable alternatives for actuating wearable exoskeletons in multiple applications.

Iron (Fe) is co-factor for enzymes of the developing brain necessitating sufficient supply. We investigated the effects of administering ferric derisomaltose/Fe isomaltoside (FDI) subcutaneously to Fe deficient (ID) pregnant rats on cerebral and hepatic concentrations of essential metals and gene expression of ferroportin and hepcidin. Pregnant rats subjected to ID were injected with FDI on the day of mating (E0), 14 days into pregnancy (E14), or the day of birth (Postnatal (P0)). The efficacy was evaluated by determination of cerebral and hepatic Fe in pups on P0 and as adults on P70, and the concentration of copper (Cu) and zinc (Zn). Females fed an ID diet (5.2 mg/kg Fe) had offspring with significantly lower cerebral and hepatic Fe compared to female controls fed a standard diet (158 mg/kg Fe). Cerebral Cu increased irrespective of supplying a standard diet or administering FDI combined with the standard diet. Hepatic hepcidin was significantly lower following ID, whereas cerebral hepcidin was virtually undetectable in all experimental groups. In conclusion, administering FDI subcutaneously to ID pregnant rats on EO normalizes cerebral Fe in the fetus, but when applied at later gestational ages, additional Fe to the offspring is needed to normalize cerebral and hepatic Fe.

Existing methods of hyperspectral anomaly detection still face several challenges: 1) Due to the limitations of self-supervision, avoiding the identity mapping of anomalies remains difficult; 2) The ineffective interaction between spatial and spectral features leads to the insufficient utilization of spatial information; 3) Current methods are not adaptable to the detection of multi-scale anomaly targets. To address the aforementioned challenges, we proposed a blind spot network based on multi-scale blind spot convolution for HAD. The multi-scale mask convolution module is employed to adapt to diverse scales of anomaly targets, while the dynamic fusion module is introduced to integrate the advantages of mask convolutions at different scales. The proposed approach includes a spatial-spectral joint module and a background feature attention mechanism to enhance the interaction between spatial-spectral features, with a specific emphasis on highlighting the significance of background features within the network. Furthermore, we propose a preprocessing technique that integrates pixel shuffle down-sampling (PD) operation with spatial spectral joint screening to address the issue of anomalous identity map-ping and facilitate finite-scale mask convolution to adapt to the detection of more scale targets. The proposed approach was assessed on four real hyperspectral datasets comprising anomaly targets of different scales. The experimental results demonstrate the effectiveness and superior performance of the proposed methodology compared with nine state-of-the art methods.

This article presents the results of the consideration of the Bertrand paradox in terms of geometric probability theory. Although the method and conclusions of this article are straightforward, no equivalent studies were found when reviewing the relevant literature. This could be conditioned by the fact that the hypotheses presented in this research have low intuitive obviousness and, in contrast, could be due to the historically established agreement regarding the issue. This article shows that out of three classical solutions to the problem described by Bertrand, two methods are inconsistent with the claimed relative objectivity. Although the remaining solution (1/4) seems to be the most correct, we cannot claim that we have exhaustively ruled out all aspects that could reduce its adequacy to solve the problem.

Since the first published genome sequence of Trypanosoma cruzi in 2005, there has been tremendous technological advance in genomics, reverse genetics, and assay development for this elusive pathogen. However, there is still an unmet need for new and better drugs to treat Chagas disease. Here we introduce a T. cruzi assay strain that is useful for drug research as well as basic studies in host-pathogen interaction. Trypanosoma cruzi STIB980 is a strain of discrete typing unit TcI that grows well in culture as axenic epimastigotes or intracellular amastigotes. We have evaluated the optimal parameters for genetic transfection and constructed derivatives of T. cruzi STIB980 that express reporter genes for fluorescence- or bioluminescence-based drug efficacy testing, as well as a Cas9-expressing line for CRISPR/Cas9-mediated gene editing. The genome of T. cruzi STIB980 was sequenced by combining short-read Illumina with long-read Oxford Nanopore technologies. The latter served for the primary assembly, the former to correct mistakes and fill the gaps. This resulted in a high-quality nuclear haplotype assembly of 28 Mb in 400 contigs, containing 10,043 open-reading frames with a median length of 1077 bp. We believe that T. cruzi STIB980 is a useful addition to the antichagasic toolbox, and propose that it can serve as a DTU TcI reference strain for drug efficacy testing.

Computational fluid dynamics (CFD) modeling has emerged as a valuable tool for investigating complex processes like microencapsulation. This paper aims to validate the ability of CFD simulations to predict particle size distribution in a polymer microencapsulation process. The CFD modeling approach employed an Eulerian multiphase framework, incorporating a discrete population balance model to track the evolution of the droplet population. A realizable k-ε turbulence model and a multiple reference frame strategy were utilized to capture the system’s flow dynamics. The results reveal that while the CFD simulations align well with experimental data at higher agitation speeds (>10000 rpm), discrepancies arise at lower speeds (<7500 rpm), indicating a challenge in accurately capturing turbulent viscous regimes. Despite these challenges, the CFD model demonstrates robust predictive capabilities for droplet formation and distribution in microencapsulation processes, validated by error margins within acceptable limits. The validated model can be used as a reliable tool to guide experimental efforts and optimize process parameters, contributing to an enhanced understanding and control of microencapsulation processes.

We evaluated the immunogenicity persistence of different immunization regimens of freeze-dried human rabies vaccine (Vero cells) in the 10–60 years age group of the Chinese population. Based on phase III clinical trials of Vero cells, participants who completed the full course of immunization were continuously enrolled in four-dose trial, five-dose, and five-dose control groups. Venous blood samples were collected 12 months after completion of the full immunization for rabies virus-neutralizing antibody (RVNA) testing, and the antibody-positive rate and geometric mean concentration (GMC) were calculated. Analysis of variance was used to compare three groups. The four-dose trial, five-dose trial, and five-dose control groups included 200, 186, and 214 participants, respectively. Twelve months after full immunization, the overall RVNA-positive rates were 97.00%, 93.55%, and 94.86% in the four-dose trial, five-dose control, and five-dose trial groups, respectively. The post-immunization RVNA GMCs values were 2.50, 2.05, and 2.04 IU/mL, respectively, with no statistically significant differences between them. Twelve months after full immunization, the overall RVNA-positive rate remained high, demonstrating satisfactory immunogenicity persistence for both immunization regimens.

It is shown that the representation theory of some finitely presented groups thanks to their $SL_2(\mathbb{C})$ character variety is related to algebraic surfaces. We make use of the Enriques-Kodaira classification of algebraic surfaces and the related topological tools to make such surfaces explicit. We study the connection of $SL_2(\mathbb{C})$ character varieties to topological quantum computing (TQC) as an alternative to the concept of anyons. The Hopf link $H$, whose character variety is a Del Pezzo surface $f_H$ (the trace of the commutator), is the kernel of our view of TQC. Qutrit and two-qubit magic state computing, derived from the trefoil knot in our previous work, may be seen as TQC from the Hopf link. The character variety of some two-generator Bianchi groups as well as that of the fundamental group for the singular fibers $\tilde{E}_6$ and $\tilde{D}_4$ contain $f_H$. A surface birationally equivalent to a $K_3$ surface is another compound of their character varieties.

This paper presents in detail the foundation of security theory for ``Quantum stream cipher based on Holevo-Yuen theory". This type of cipher is a technology that provides information-theoretic security (ITS) to optical data transmission by randomizing ultrafast optical communication signals with quantum noise. In general, a quantitative security of ITS is discussed in terms of unicity distance in Shannon theory. However, the quantum version requires modeling beyond the Shannon model of random cipher to utilize the characteristics of the physical layer. Therefore, as first step, one has to develop a generalized unicity distance theory and apply it to evaluation of security. Although a complete theoretical formulation has not yet been established, this paper attempts to give a primitive structure of a generalization of Shannon random cipher and shows that the realization of this is generalized quantum stream cipher. In addition, we introduce several implementation methods of the generalized quantum stream ciphers and their security performances.

The shortage of quantum computers, and their current state of development, constraints research in many fields that could benefit from quantum computing. Although the work of a quantum computer can be simulated with classical computing, personal computers take so long to run quantum experiments that they are not very useful for the progress of research. This manuscript presents an open quantum computing simulation platform that enables quantum computing researchers to have access to high performance simulations. This platform, called QUTE, relies on a supercomputer powerful enough to simulate general purpose quantum circuits of up to 38 qubits, and even more under particular simulations. This manuscript describes in-depth the characteristics of the QUTE platform and the results achieved in certain classical experiments in this field, which would give readers an accurate idea of the system capabilities.

Inferring algorithmic structure in data is essential for discovering causal generative models. In this research, we present a quantum computing framework using the circuit model, for estimating algorithmic information metrics. The canonical computation model of the Turing machine is restricted in time and space resources, to make the target metrics computable under realistic assumptions. The universal prior distribution for the automata is obtained as a quantum superposition, which is further conditioned to estimate the metrics. Specific cases are explored where the quantum implementation offers polynomial advantage, in contrast to an indispensable exhaustive enumeration in the corresponding classical case. The unstructured output data and the computational irreducibility of Turing machines make this algorithm impossible to approximate using heuristics. Thus, exploring the space of program-output relations is one of the most promising problems for demonstrating quantum supremacy using Grover search that cannot be dequantized. Experimental use cases for quantum acceleration are developed for self-replicating programs and algorithmic complexity of short strings. With quantum computing hardware rapidly attaining technological maturity, we discuss how this framework will have significant advantage for various genomics applications in meta-biology, phylogenetic tree analysis, protein-protein interaction mapping and synthetic biology. This is the first time experimental algorithmic information theory is implemented using quantum computation. Our implementation on the Qiskit quantum programming platform is copy-left and can be found on https://github.com/Advanced-Research-Centre/QPULBA

This is the second of a two-paper series describing a multi-scale modeling approach developed to simulate crack sensing in polymer fibrous composites by exploiting interruption of electrically conductive carbon nanotube (CNT) networks. The approach is based on the finite element (FE) method. FE models at three different scales, namely the micro-scale, the meso-scale and the macro-scale, have been developed using the ANSYS PDL environment. In the present paper, the meso- and macro-scale analyses are described. In the meso-scale, a two-dimensional model of the CNT/polymer matrix reinforced by carbon fibers is used to develop a crack sensing methodology from a parametric study which relates the crack position and length with the reduction of current flow. In the meso-model, the effective electrical conductivity of the CNT/polymer computed from the micro-scale is used as input. In the macro-scale, the final implementation of the crack sensing methodology is performed on a CNT/polymer/carbon fiber composite volume using as input the electrical response of the cracked CNT/polymer derived at the micro-scale and the crack sensing methodology. Analyses have been performed for cracks of two different lengths. In both cases, the numerical model predicts with good accuracy both the length and position of the crack. These results highlight the prospect of conductive CNT networks to be used as a localized structural health monitoring technique.

The objective of person re-identification (ReID) tasks is to match a specific individual across different times, locations, or camera viewpoints. The prevalent issue of occlusion in real-world scenarios affects image information, rendering the affected features unreliable. The difficulty and core challenge lie in how to effectively discern and extract visual features from human images under various complex conditions, including cluttered backgrounds, diverse postures, and the presence of occlusions. Some works have employed pose estimation or human keypoint detection to construct graph-structured information to counteract the effects of occlusions. However, this approach introduces new noise due to issues such as the invisibility of keypoints. Our proposed module, in contrast, does not require the use of additional feature extractors. Our module employs multi-scale graph attention for the reweighting of feature importance. This allows features to concentrate on areas genuinely pertinent to the re-identification task, thereby enhancing the model's robustness against occlusions. To address these problems, a model that employs multi-scale graph attention to re-weight the importance of features is proposed in this study, significantly enhancing the model’s robustness against occlusions. Our experimental results demonstrate that, compared to baseline models, the method proposed herein achieves a notable improvement in mAP on occluded data sets, with increases of 0.5%, 31.5%, and 12.3% in mAP scores.

The medical research field has been tremendously galvanized to improve the prediction of therapy efficacy by the revolution in artificial intelligence (AI). An earnest desire to find better ways to predict the effectiveness of therapy with the use of AI has propelled the evolution of new models in which it can become more applicable in clinical settings such as breast cancer detection. However, in some instances, the U.S. Food and Drug Administration was obliged to back some previously approved inaccurate models for AI-based prognostic models because they eventually produce inaccurate prognoses for specific patients who might be at risk of heart failure. In light of instances in which the medical research community has often evolved some unrealistic expectations regarding the advances in AI and its potential use for medical purposes, implementing standard procedures for AI-based cancer models is critical. Specifically, models would have to meet some general parameters for standardization, transparency of their logistic modules, and avoidance of algorithm biases. In this review, we summarize the current knowledge about AI-based prognostic methods and describe how they may be used in the future for predicting antibody-drug conjugate efficacy in cancer patients. We also summarize findings of recent late-phase clinical trials using these conjugates for cancer therapy.

To address the problems of insufficient semantic fusion between text and questions and the lack of consideration of global semantic information encountered in machine reading comprehension models, we proposed a machine reading comprehension model called BERT_hybrid based on BERT and hybrid attention mechanism. In this model, BERT is utilized to separately map the text and questions into the feature space. Through the integration of Bi-LSTM, attention mechanism, and self-attention mechanism, the proposed model achieves comprehensive semantic fusion between text and questions. The probabilities distribution of answers is computed using Softmax. Experimental results on the public dataset DuReader demonstrate that the proposed model achieves improvements in BLEU-4 and ROUGE-L scores compared to existing models. Furthermore, to validate the effectiveness of the proposed model design, we analyze the factors influencing the model’s performance.

The Industrial Internet of things (IIoT) enabled smart system has entered into a golden era of rapid technology growth. IIoT is a concept to make every system interrelated such that they are able to collect and transfer data over a wireless network without human intervention. In this paper, we discuss the development of an IoT enabled system to monitor the vibration signature of equipment as part of prognosis and availability management system (P&AM) that serves to prevent unplanned operation downtime and catastrophic failure of a whole system. In order to simply the complexity of processing video content and performing inference, the Intel OpenVINO platform was selected because of it’s simplicity, portability across Intel AI processors, performance and comprehensiveness of it’s analytical and diagnostics capabilities that can be tested in Intel’s DevCloud. The IIoT system consists of a High Performance Computing (HPC) platform based on Intel’s Xeon processors and Movidius AI accelerator, Intel’s OpenVINO toolkit for AI, a Regul high performance programmable controller capturing vibration data through sensors and a low-latency network connection. Notifications of anomalies are sent to a smartphone. This paper reveals an approach for the features extraction and selection, known as feature engineering, of the equipment component we want to protect. Feature engineering is the first step for the P&AM of these components and extends to the whole system. The broader aim of this paper is to help technical leaders at the exploring or experimenting stages of their AI framework to learn the concepts of implementing algorithms using datasets that have real value to their companies. Datasets generated and referred to in this paper were generated by simulation under various material failure scenarios.

To understand the mystery of final unification, in our earlier publications, we proposed two bold concepts: 1) There exist three atomic gravitational constants associated with electroweak, strong and electromagnetic interactions. 2) There exists a strong elementary charge in such a way that its squared ratio with normal elementary charge is close to reciprocal of the strong coupling constant. In this paper we propose that, can be considered as a compound physical constant associated with proton mass, electron mass and the three atomic gravitational constants. With these ideas, an attempt is made to understand nuclear stability and binding energy. In this new approach, nuclear binding energy can be fitted with four simple terms having one unique energy coefficient with a formula, where is an estimated mean stable mass number. With this new approach, Newtonian gravitational constant can be estimated in a verifiable approach with a model relation of the form, where is the Fine structure constant. Estimated and is 62 ppm higher than the CODATA recommended It needs further investigation. Proceeding further, an attempt is made to fit the recommended quark masses.

In this review we aim to address the current status of phage therapy in the management of multidrug-resistant infections, from compassionate use cases to ongoing clinical trials, as well as the challenges this approach presents in the particular context of CF patients.

Integrating ecosystem services (ESs) to delineate ecological functional zones (EFZs) is a fundamental work in terrestrial spatial planning and ecosystem management. However, existing studies have largely overlooked the refinement of EFZs at local scales, which hinders targeted and multi-scale ecosystem management. This study introduced a "two-step refinement zoning method" to address this gap, first using the self-organizing feature mapping method to delineate EFZs based on ESs at a township scale, and then applying hotspot overlay analysis to identify hotspots of dominant ESs within EFZs at a village scale. By overlaying the outcomes of these two steps, EFZs can be further graded by designating villages with hotspots of dominant ESs as level I and those without as level II. The proposed method was applied in Wuhan City, dividing it into five types of EFZs with different ESs combinations and land use compositions. Furthermore, 5.23% of villages were identified as Level I of EFZs, serving as advantageous areas of dominant ESs in the study area. On this basis, diversified management strategies and conservation priorities were proposed. This study provides a theoretical and methodological reference for terrestrial spatial planning and sustainable ecosystem management.

Chip pad alignment inspection is of great importance in the industrial field. However, due to the fact that chip pads are usually small, problems such as misdetection and missed detection often occur. When applying deep learning methods for chip pad detection, it is necessary to ensure accurate detection of small target chips while meeting the requirements of lightweight detection models for industrial needs. To solve the above problems, this paper proposes a lightweight model based on improved YOLOv5s. Firstly, the feature extraction part is improved to increase the network's focus on the target. Secondly, the feature fusion layer is improved to double the resolution of the prediction head, and the context-aware network is designed to enhance the context-capture ability of key features of small targets. Finally, SIoU is adopted as the loss function to improve the speed and accuracy of the regression frame. The experimental results show that the improved YOLOv5s algorithm improves the detection accuracy by 2.3% and reduces the network parameters by 81.8% compared to the original algorithm. The improved algorithm is combined with image processing techniques to design correction methods for alignment anomalies and realize real-time alignment anomaly correction in industry.

Storage, transmission and processing of data become a significant problem when large digital data files or databases are involved, as in the case of decentralized online global databases such as blockchain. Here we propose a novel method that allows the scalability of digital assets, including blockchain databases in the download, validation and confidentiality process, by developing a lightweight blockchain technology called Entropic Blockchain. This is a computer-implemented mathematical method to generate an information-entropic numerical representation of a digital asset, which can be utilized on its own, or as an optically machine-readable entropic barcode, for data secure transmission, processing, labelling, identification, one-way encryption and compression, validation, and digital tamper-proof check.

Using Drone Cells to optimize Radio Access Networks is an exemplary way to enhance the capabilities of terrestrial Radio Access Networks. Drones fitted with communication and relay modules can act as Drone Cells. The multi Drone Cell placement problem is solved using an adapted Dispersive Flies Optimization alongside with other meta-heuristic algorithms such as Particle Swarm Optimization and Differential Evolution. A home-brewed simulator has been used to test the effectiveness of the different implemented algorithms. Specific environment respective parameter tuning have been explored to better highlight possible advantages of one algorithm over other in any particular environment. Algorithmic diversity has been explored, leading to several modifications and improvements in the implemented models. The results show that using tuned parameters there is a performance uplift in coverage probability when compared to the default meta-heuristic parameters while still remaining within the constraints implied by the problem’s requirements and resource limitation. The paper concludes by offering a study between multiple meta-heuristic approaches and comparison between the methods, investigating the impact of parameter-tuning as well as analyzing the impact of intermittent restart for algorithms persistent diversity.

Computer simulation relies on well-defined experimental supported theories, models, and numerical methods. Computer simulation is an alternative to fill the gaps where the experiment is pricy or limited in engineering. Computer simulation is a high-fidelity computational technique that can work as an engineering innovation tool to try imaginative ideas beyond the available technologies. The accuracy of current computer simulation results is reliable enough to accelerate innovation for new materials and mechanical technologies without experimental validation. So, we may need to urge relying on computer simulation results without any experimental validation to accelerate engineering innovations. In addition, using high-fidelity computer simulation for engineering innovation acceleration without validation will be promoted if it is credited as a new classification. This subject and a related justification's classification in engineering have been discussed.

The study conducts a comparative analysis of solar radiation estimation methods, assessing the efficacy of the Heliosat-2 algorithm against ground measurements across seven distinct countries: Netherlands, Spain, Japan, Namibia, South Africa, Saudi Arabia, and India. To achieve this, it utilizes two distinct satellite data sources—Himawari-8 for Japan and Metosat Second Generation-MSG for the rest of the countries—spanning the years Jan 2022 to April 2024. A robust methodology for determining albedo parameters specific to Heliosat-2 was developed. During cloudy days, the estimates provided by Heliosat-2 generally exceeded the ground measurements in all the countries. Conversely, on clear days, there was a tendency for underestimation, as indicated by the median value of the mean bias (MB) across most of the countries. The Heliosat-2 model slightly underestimates daily radiation values, with a median MB ranging from −27.5 to +10.2 W.m⁻². Notably, the median root mean squared error (RMSE) on clear days is significantly lower, with values ranging from 24.8 to 108.7 W.m⁻², compared to cloudy days where RMSE values lie between 75.3 and 180.2 W.m⁻². In terms of R² values, both satellites show a strong correlation between the estimated and actual values, with a median value consistently above 0.86 on a monthly scale and over 92% of daily data points falling within ±2 standard deviation.

The worldwide outbreak of SARS-CoV-2 in early 2020 caused numer- ous deaths and unprecedented measures to control its spread. We employed our Computational Analysis of Novel Drug Opportunities (CANDO) multiscale therapeutic discovery, repurposing, and design platform to identify small molecule inhibitors of the virus to treat its resulting indication, COVID-19. Initially, few experimental studies existed on SARS-CoV-2, so we optimized our drug candidate prediction pipelines using results from two independent high-throughput screens against prevalent human coronaviruses. Ranked lists of candidate drugs were generated using our open source cando.py software based on viral protein inhibition and proteomic interaction similarity. For the former viral protein inhibition pipeline, we computed interaction scores between all compounds in the corresponding candidate library and eighteen SARS-CoV proteins using an interaction scoring protocol with extensive parameter optimization which was then applied to the SARS-CoV-2 proteome for prediction. For the latter similarity based pipeline, we computed interaction scores between all compounds and human protein structures in our libraries then used a consensus scoring approach to identify candidates with highly similar proteomic interaction signatures to multiple known anti-coronavirus actives. We published our ranked candidate lists at the very beginning of the COVID-19 pandemic. Since then, 51 of our 276 predictions have demonstrated anti-SARS-CoV-2 activity in published clinical and experimental studies. These results illustrate the ability our platform to rapidly respond to emergent pathogens and provide greater evidence that treating compounds in a multitarget context more accurately describes their behavior in biological systems.

The efficacy and safety of organic UV-filters could benefit from their incorporation into lipid nanoparticles because of the ability of such carriers to reflect solar radiations, thus acting synergically as physical sunscreens. In this work, bemotrizinol (BMTZ), a broad-spectrum UV-filter, was loaded into nanostructured lipid carriers (NLC) whose lipid matrix contained different oils to assess the effects of the lipid core composition on the properties of the resulting NLC. Subsequently, the effects of incorporating different concentrations of optimized BMTZ-loaded NLC on the technological properties of O/W emulsions (pH, viscosity, spreadability, occlusion factor, in vitro BMTZ release and skin permeation, in vitro sun protection factor) were assessed. Optimized BMTZ-loaded NLC showed mean size=190.6±9.8 nm, PDI=0.153±0.013, ζ-potential=-10.6±1.7 mV, loading capacity=8% w/w. The incorporation of increasing concentrations of optimized BMTZ-loaded into emulsions provided slight increase of spreadability, lower viscosity and no change of pH, occlusion factor and BMTZ release compared to the control. No BMTZ skin permeation was observed from all formulations. About 20% increase of sun protection factor values was obtained for vehicles containing BMTZ-loaded NLC. Therefore, BMTZ-loaded NLC incorporation into emulsions could be a promising strategy to develop safer and more effective sunscreen formulations.

As V2X technology develops, acute problems related to reliable and secure information exchange between network objects in real time appear. The article aims to solve the scientific problem of building a network architecture for reliable delivery of correct and uncompromised data within the V2X concept to improve the safety of road users, using blockchain technology and mobile edge computing (MEC). The authors present a formalized mathematical model of the system, taking into account the interconnection of objects and V2X information channels, and an energy-efficient algorithm of traffic offloading to the MEC server. The paper presents the results of application of blockchain technologies and mobile edge computing in the developed system, their description, evaluation of advantages and disadvantages of the implementation.

Background: Circulating rare cells participate in breast cancer evolution as systemic components of the disease and thus, are a source of theranostic information. Exploration of cancer-associated rare cells is in its infancy. We determined the validity of a rare-cell detection platform and demonstrated the usefulness of a certain rare cell subset as a novel approach to characterize the breast cancer system. Methods: Linearity of the Rarmax® platform was established using a spike-in approach. The platform includes red blood cell lysis, leukocyte depletion and high-resolution fluorescence image recording. Rare cell analysis was conducted on 28 samples (before and after surgery) from 14 patients with breast cancer, 20 healthy volunteers and 9 non-cancer control volunteers. In-depth identification of rare cells, including circulating tumor cells, endothelial-like cells, erythroblasts and inflammation-associated cells, was performed using a phenotype and morphology-based classification system. Results: The platform performed linearly over a range of 5-950 spiked cells, with an average recovery of 84.6%. Circulating epithelial and endothelial-like cell subsets have been demonstrated to be associated with or independent of cancer with tumor presence. Furthermore, certain cell patterns may be associated with treatment-related adverse effects. The sensitivity in detecting tumor-presence and cancer-associated abnormality before surgery was 50% and 85.7%, respectively and the specificity was 100% and 96.6%, respectively. Conclusion: The present study supports the idea of a cancer-associated rare cell abnormality to represent tumor entities as well as systemic cancer. The latter is independent of the apparent clinical cancer.

The beginning of 2020 has seen the emergence of coronavirus outbreak caused by a novel virus called SARS-CoV-2. The sudden explosion and uncontrolled worldwide spread of COVID-19 show the limitations of existing healthcare systems to timely handle public health emergencies. In such contexts, innovative technologies such as blockchain and Artificial Intelligence (AI) have emerged as promising solutions for fighting coronavirus epidemic. On the one hand, blockchain can combat pandemics by enabling early detection of outbreaks, protecting user privacy, and ensuring reliable medical supply chain during the outbreak tracking. On the other hand, AI provides intelligent solutions for identifying symptoms caused by coronavirus for treatments and supporting drug manufacturing. Motivated by these, in this paper we present an extensive survey on the use of blockchain and AI for combating coronavirus (COVID-19) epidemics based on the rapidly emerging literature. First, we introduce a new conceptual architecture which integrates blockchain and AI specific for COVID-19 fighting. Particularly, we highlight the key solutions that blockchain and AI can provide to combat the COVID-19 outbreak. Then, we survey the latest research efforts on the use of blockchain and AI for COVID-19 fighting in a wide range of applications. The newly emerging projects and use cases enabled by these technologies to deal with coronavirus pandemic are also presented. Finally, we point out challenges and future directions that motivate more research efforts to deal with future coronavirus-like epidemics.

Biological systems are highly regulated. They are also highly resistant to sudden perturbations enabling them to maintain the dynamic equilibrium essential for sustenance of life. This robustness is conferred by regulatory mechanisms that influence the activity of enzymes/proteins within their cellular context, to adapt to changing environmental conditions. However, the initial rules governing the study of enzyme kinetics were tested and implemented for mostly cytosolic enzyme systems that were easy to isolate and/or recombinantly express. Moreover, these enzymes lacked complex regulatory modalities. Now, with academic labs and pharmaceutical companies turning their attention to more complex systems (for instance, multi-protein complexes, oligomeric assemblies, membrane proteins and post-translationally modified proteins), the initial axioms defined by Michaelis-Menten (MM) kinetics are rendered inadequate and the development of a new kind of kinetic analysis to study these systems is required. The current review strives to present an overview of enzyme kinetic mechanisms that are atypical and, oftentimes, do not conform to the classical MM kinetics. Further, it presents initial ideas on the design and analysis of experiments in early drug-discovery for such systems, to enable effective screening and characterisation of small-molecule inhibitors with desirable physiological outcomes.

This work focuses on identifying the most effective machine learning techniques and supervised learning models to precisely estimate power output from Photovoltaic (PV) plants. The performance of various regression models is analyzed by harnessing experimental data, including Random Forest, Support Vector Regression (SVR), Multi-layer Perceptron (MLP), Linear Regressor (LR), Gradient Boosting, and k-Nearest Neighbors (KNN). The methodology applied starts with meticulous data preprocessing steps aimed at ensuring dataset integrity. Following the preprocessing phase, which entails eliminating missing values and outliers using Isolation Feature selection based on a correlation threshold, is performed to identify relevant parameters for accurate prediction in PV systems. Subsequently, Isolation Forest is employed for outlier detection, followed by model training and evaluation using key performance metrics such as Root Mean Squared Error (RMSE), Normalized Root Mean Squared Error (NRMSE), Mean Absolute Error (MAE), and R-squared (R2). Among the array of models evaluated, Random Forest emerges as the top performer, highlighting promising results with an RMSE of 19.413, NRMSE of 0.048% and an R2 score of 0.968. Furthermore, the best-performing model is integrated into a MATLAB application for real-time predictions, thereby enhancing usability and accessibility for a wide range of applications in renewable energy.

The development of computational acoustics allows simulation of sound generation and propagation in complex environment. In particular, meshfree methods are widely used to solve acoustics problems through arbitrarily distributed field points and approximation smoothness flexibility. As a Lagrangian meshfree method, smoothed particle hydrodynamics (SPH) method reduce the difficulty in solving problems with deformable boundaries, complex topologies, or multiphase medium. The traditional SPH method has been applied in acoustic simulation. This study presents the corrective smoothed particle method (CSPM), which is a combination of SPH kernel estimate and Taylor series expansion. The CSPM is introduced as a Lagrangian approach to improve accuracy in solving acoustic wave equations in the time domain. Moreover, a boundary treatment technique based on the hybrid meshfree and finite difference time domain (FDTD) method is proposed to represent different acoustic boundaries with particles. To model sound propagation in pipes with different boundaries, soft, rigid, and absorbing boundary conditions are built with this technique. Numerical results show that the CSPM algorithm is consistent and demonstrates convergence with exact solutions. Main computational parameters are discussed, and different boundary conditions are validated to be effective for benchmark problems in computational acoustics.

This proposal advocates using energy states as fundamental units for quantum computer programming. Each programming unit is conceptualized as an energy state, manifested as an essence-unit. The essence-unit, defined as the minimal form encapsulating complete uniqueness or specificity, serves as the cornerstone of this paradigm. This approach allows recording various forms of matter on quantum computers in essence-units representing their energy states. Recording energy states is achieved through the creation of four distinct coherent potentials facilitated by quantum dots or crystals. It is crucial to note that these energy states, embodied in essence-units, cannot be subdivided. The study examines the intricate relationship between similarity, fractals, and uniqueness in quantum dot operations, elucidating their profound implications for information transfer efficiency. Normalized entropy quantifies the charge localization in quantum dot impurities in systems exhibiting distortions. Utilizing N-level recording and entropy-fractal dimension equivalence enables this paper to elucidate the potential of quantum dots in reducing transmission time and modeling complex systems. The proposed methodology represents a significant departure from the current state of quantum computing, offering unprecedented potential for overcoming previously intractable challenges.

Revealing the time structure of physical or biological objects is usually performed thanks to the tools of signal processing like the fast Fourier transform, Ramanujan sum signal processing and many other techniques. For space-time topological objects in physics and biology, we propose a type of algebraic processing based on schemes in which the discrimination of singularities within objects is based on the space-time-spin group SL(2,C). Such topological objects possess an homotopy structure encoded in their fundamental group and the related SL(2,C) multivariate polynomial character variety contains a plethora of singularities somehow analogous to the frequency spectrum in time structures. Our approach is applied to an Akbulut cork in exotic R4, to an hyperbolic model of topological quantum computing based on algebraic surfaces and to microRNAs in genetics. Such diverse topics reveal the manifold of possibilities of using the concept of a scheme spectrum.

Functional Data Analysis (FDA) is a relatively new field of statistics dealing with data expressed in the form of functions. FDA methodologies can be easily extended to the study of imaging data, an application proposed in Wang et al. (2020), where the authors settle the mathematical groundwork and properties of the proposed estimators. This methodology allows for the estimation of mean functions and simultaneous confidence corridors (SCC), also known as simultaneous confidence bands, for imaging data and for the difference between two groups of images. This is especially relevant for the field of medical imaging, as one of the most extended research setups consists on the comparison between two groups of images, a pathological set against a control set. FDA applied to medical imaging presents at least two advantages compared to previous methodologies: it avoids loss of information in complex data structures and avoids the multiple comparison problem arising from traditional pixel-to-pixel comparisons. Nonetheless, computing times for this technique have only been explored in reduced and simulated setups (Arias-López et al., 2021). In the present article, we apply this procedure to a practical case with data extracted from open neuroimaging databases and then measure computing times for the construction of Delaunay triangulations, and for the computation of mean function and SCC for one-group and two-group approaches. The results suggest that previous researcher has been too conservative in its parameter selection and that computing times for this methodology are reasonable, confirming that this method should be further studied and applied to the field of medical imaging.

Multimodal knowledge graph completion necessitates the integration of information from multiple modalities (such as images and text) into the structural representation of entities to improve link prediction. However, most existing studies have overlooked the interaction between different modalities. To address this issue, this paper proposed a Transformer-based knowledge graph link prediction model (MM-Transformer) that fuses multimodal features. Different modal encoders are employed to extract structural, visual and textual features, and hybrid key-value calculations are performed on features from different modalities based on the Transformer architecture. The similarities of textual tags to structural tags and visual tags are calculated and aggregated respectively, and multimodal entity representations are modeled and optimized to reduce the heterogeneity of the representations. Experimental results demonstrate that, compared to the current multimodal state-of-the-art methods, the proposed method achieves significant performance improvements in knowledge graph link prediction tasks. This proves that the proposed method effectively addresses the problem of multimodal feature fusion in knowledge graph link prediction tasks.

The normal growth and development of skeletal muscle is essential for the health of the body. The regulation of skeletal muscle by intestinal microorganisms and their metabolites has been continuously revealed. Acetate is the predominant short-chain fatty acid synthesized by gut microbiota through the fermentation of dietary fiber, however, the underlying molecular mechanisms governing the interaction between acetate and skeletal muscle during rapid growth stage remain to be further elucidated; Here, specific pathogen-free (SPF) mice, germ-free (GF) mice, and germ-free mice supplemented with sodium acetate (GS) were used to evaluate the effects of acetate on skeletal muscle growth and development of young mice with gut microbiota deficiency; We found the concentration of serum acetate, body mass gain, succinate dehydrogenase activity and expression of myogenesis maker gene of skeletal muscle in the GS group was higher than GF group following sodium acetate supplement. Furthermore, the transcriptome analysis revealed that acetate activated biological processes regulating skeletal muscle growth and development in GF group that are inhibited due to gut microbiota deficiency. In vitro experiment, we proved that acetate up-regulated Gm16062 to promote skeletal muscle cell differentiation; Overall, our findings proved that acetate promote skeletal muscle growth and development in young mice via increase Gm16062 expression.

Some aporphine alkaloids, such as crebanine, were found to present arrhythmic activity and also higher toxicity. A series of derivatives were synthesized by using three kinds of aporphine alkaloids (crebanine, isocorydine, and stephanine) as lead compounds. Chemical methods, including ring-opening reaction, bromination, methylation, acetylation, quaternization, and dehydrogenation, were adopted. Nineteen target derivatives were evaluated for their antiarrhythmic potential in the mouse model of ventricular fibrillation (VF), induced by CHCl₃, and five of the derivatives were investigated further in the rat model of arrhythmia, induced by BaCl₂. Meanwhile, preliminary structure-activity/toxicity relationship analyses were carried out. Significantly, N-acetamidesecocrebanine (1d), three bromo-substituted products of crebanine (2a, 2b, 2c), N-methylcrebanine (2d), and dehydrostephanine (4a) displayedantiarrhythmic effects in the CHCl₃-induced model. Among them, 7.5 mg/kg of 2b was able to significantly reduce the incidence of VF induced by CHCl₃ (p<0.05), increase the number of rats that resumed sinus rhythm from arrhythmia, induced by BaCl₂ (p<0.01), and the number of rats that maintained sinus rhythm for more than 20 minutes (p<0.01). Therefore, 2b showed remarkably higher antiarrhythmic activity and a lower toxicity (LD₅₀=59.62 mg/kg, mice), simultaneously, indicating that 2b could be considered as a promising candidate in the treatment of arrhythmia. Structural-activity analysis suggested that variationsin antiarrhythmic efficacy and toxicity of aporphines were related to the C-1,C-2-methylenedioxy group on ring A, restricted ring B structural conformation, N-quaternization of ring B, levoduction of 6a in ring C, and the 8-, 9-, 10-methoxy groups on ring D on the skeleton.

Users with Autism Spectrum Disorder may find human-computer interaction (HCI) challenging due to a number of symptoms experienced, one of which is difficulty coping with change. Through capturing, comparing and statistically analysing the reactions of autistic and neurotypical users to seven individual design changes, it has been possible to identify the changes that cause significant difficulty in autistic users. These difficulty points were then used to form heuristics that can followed by HCI practitioners in the industry to reduce the negative impact of software interface design change on autistic users, hence making software updates more accessible.

Three-dimensional (3D) geological modeling technology offers intricate geological information services and technical support for the research of urban geological conditions and their evolutionary mechanisms. It further facilitates the analysis of environmental geological problems, encompassing their distinguishing features and genetic mechanisms. The precision of such three-dimensional models is predominantly influenced by the caliber of modeling data, the chosen modeling methodologies, and the intricacy of the modeled geological objects. This research, exemplified by the three-dimensional geological structure modeling of the Wuhan metropolitan development area, aims to explore a comprehensive three-dimensional modeling framework for urban geology, particularly in scenarios with large-scale and complex geological conditions. This study holds significant technical value in enhancing the application of 3D geological modeling, as well as practical importance for urban geological investigations and research.

The rapid convergence of Artificial General Intelligence (AGI), autonomous drones, and applied robotics presents a transformative opportunity for many sectors. However, this advancement also raises critical ethical and existential questions, particularly in warfare. This paper explores the concept of entropy as a metaphor for the potential disorder introduced by these increasingly complex technologies. We examine the risks of AGI surpassing human control in conflict situations, where autonomous decision-making could have disastrous consequences. We then analyze autonomous drones, scrutinizing their impact on warfare tactics and the ethical dilemmas surrounding independent, real-time decision-making. Finally, we investigate applied robotics in military operations, focusing on the delicate balance between enhanced capabilities and the potential for uncontrollable systems. Through a multidisciplinary lens, drawing on technology ethics, military strategy, and AI safety, this paper utilizes the concept of entropy to highlight the need for caution in developing these technologies. We propose a scientifically grounded and ethically sound framework to guide policymakers, technologists, and ethicists in navigating the path between innovation and global stability. This framework concludes with recommendations for responsible development and deployment strategies that can mitigate the risks associated with these powerful tools.

African swine fever virus (ASFV), a highly contagious pathogen characterized by a complex structure and a variety of immunosuppression proteins, causes hemorrhagic, acute, and aggressive infectious disease that severely injure the pork product and industry. However, there is no effective vaccine or treatment. The main reasons are not only the complex mechanisms that lead to immunosuppression, but also the unknown functions of various proteins. This review summarizes the interaction between ASFV and host immune system, along with the involvement of virulence related genes and proteins, as well as the corresponding molecular mechanism of immunosuppression of ASFV, encompassing pathways such as cGAS-STING, NF-κB, JAK/STAT, apoptosis, and other modulation. The aim is to summarize the dynamic process during the ASFV infection and entry into host cell, provide a rational insight into development of vaccine and a better clear knowledge of how ASFV impacts host.

Multiple Sclerosis (MS) is a chronic autoimmune disorder characterized by the demyelination of neural fibers in the central nervous system. Understanding the impact of demyelination on neural network efficiency is crucial for elucidating the pathophysiological mechanisms underlying MS. This study aims to model the effects of demyelination on neural network efficiency, specifically focusing on how increased resistance and path lengths due to demyelination correlate with the clinical symptoms of MS. We employed a graph-theoretical approach to simulate neural networks, introducing varying degrees of demyelination. The demyelination was represented by increasing the resistance (weights) of selected edges within the network, affecting both random and clustered distributions of network connections. The primary metric analyzed was the average shortest path length, indicative of network efficiency. The models demonstrated a significant increase in the average shortest path length in demyelinated networks compared to intact ones. Specifically, networks with clustered demyelination exhibited localized inefficiencies, correlating with the focal nature of MS lesions. The increase in path length was associated with reduced signal transmission efficiency, providing insights into a range of MS symptoms including motor and sensory impairments, cognitive dysfunction, visual disturbances, and fatigue. The graph-theoretical model of neural network demyelination offers a novel perspective on how structural changes in the brain's connectivity due to MS can lead to diverse clinical manifestations. While the model simplifies the complexity of neural networks, it underscores the potential of computational approaches in understanding and predicting the course of neurological disorders like MS.

The question of what generates conscious experience has mesmerized thinkers since the dawn of humanity, yet its origins remain a mystery. The topic of consciousness has gained traction in recent years, thanks to the development of large language models that now arguably pass the Turing test, an operational test for intelligence. However, intelligence and consciousness are not related in obvious ways, as anyone who suffers from a bad toothache can attest - pain generates intense feelings and absorbs all our conscious awareness yet nothing particularly intelligent is going on. Still, in the hard sciences, this topic is frequently met with skepticism because to date no protocol to measure the content or intensity of conscious experiences in an observer-independent manner has been agreed upon. Here we present a novel proposal: Conscious experience arises whenever a quantum mechanical superposition forms. Our proposal has several implications: First, it suggests that the structure of the superposition determines the qualia of the experience. Second, quantum entanglement naturally solves the binding problem, ensuring the unity of phenomenal experience. Finally, a moment of agency may coincide with the formation of a superposition state. We outline a research program to experimentally test our conjecture via a sequence of quantum biology experiments. Applying these ideas opens up the possibility of expanding human experience through brain-quantum computer interfaces.

Air quality is one of the most concerning problems in major industrialized cities in the world. Prediction of future air quality is highly relevant to public health. In some big cities, multiple air quality measurement stations are deployed at different locations to monitor air pollutants, such as NO2, CO, PM 2.5 and PM 10, over time. At every monitoring time stamp t, we observe one station×feature matrix xt of the pollutant data, which represents a spatio–temporal process. Traditional methods on prediction of air quality typically use data from one station or can only predict a single pollutant (such as PM 2.5) at a time, which ignores the spatial correlation among different stations. Moreover, the air pollution data are typically highly nonstationary, We propose a de-trending graph convolutional LSTM (long short term memory) to continuously predict the whole station×feature matrix in the next 1 to 48 hours, which not only captures the spatial dependency among multiple stations by replacing an inner product with convolution, but also incorporates the de-trending signals (transform a nonstationary process to a stationary one by differencing the data) into our model. Experiments on the air quality data of the city Chengdu and multiple major cities in China demonstrate the feasibility of our method and show promising results.

KLEPTOSE® CRYSMEB is a methylated cyclodextrin derivative displaying less methylated group substitution than randomly methylated cyclodextrin. It has demonstrated an impact on atherosclerosis and neurological diseases. linked in part to cholesterol complexation and immune response, but the impact on inflammatory cascade pathways was not clear. Thus, the impact of KLEPTOSE® CRYSMEB on various pharmacological targets was assessed using human umbilical vein endothelial cells in physiological and inflammatory conditions, followed by screening against twelve human primary cell-based systems designed to model complex human tissue and disease biology of the vasculature, skin, lung, and inflammatory tissues using the BioMAP® Diversity PLUS® Panel. Finally, the anti-inflammatory mechanism was investigated on peripheral blood mononuclear cells to evaluate anti-inflammatory or pro-resolving properties. The results showed that KLEPTOSE® CRYSMEB can modulate the immune system in vitro and potentially manage vascular issues by stimulating the expression of molecules involved in the crosstalk between immune cells and other cell types. It showed anti-inflammatory effects driven by pro-inflammatory cytokine secretion inhibition and could have different impacts on different tissue types. Moreover, this cyclodextrin showed no clear impact on pro-resolving lipid mediators. Finally, it appeared that the mechanism of action of KLEPTOSE® CRYSMEB seems to not be shared by well-known anti-inflammatory molecules.

Leydig cells, pivotal for male fertility, undergo significant oxidative stress due to their proximity to macrophages and reactive oxygen species (ROS) generated by extracellular structures. This stress disrupts Leydig cell function, impairing steroidogenesis and spermatogenesis, ultimately leading to male infertility. Oxidative stress triggers apoptosis and inhibits testosterone production, crucial for spermatogenesis regulation. Understanding the mechanisms of oxidative stress and antioxidation on Leydig cells is vital. Some studies highlight the role of antioxidants in mitigating oxidative damage, emphasizing critical pathway of Sirt1 in oxidative stress and Nrf2 in antioxidation. Future research should focus on screening antioxidant substances and optimizing antioxidant dosages for Leydig cell protection and testosterone restoration, thereby enhancing reproductive performance. This review provides insights into combating male infertility by addressing Leydig cell oxidative stress and antioxidation.

The usage of Quantum Similarity through the equation Z = {∀θ ∈ Z → ∃s ∈ S ∧ ∃t ∈ T : θ = (s, t)}, represents a way to analyze the way communication works in our DNA. Being able to create the object set reference for z being (s, t) in our DNA strands, we are able to set logical tags and representations of our DNA in a completely computational form. This will allow us to have a better understanding of the sequences that happen in our DNA. With this approach, we can also utilize mathematical formulas such as the Euler–Mascheroni constant, regression analysis, and computational proofs to answer important questions on Quantum biology, Quantum similarity, and Theoretical Physics.

In this article, one-dimensional viscous quantum hydrodynamical model of semiconductor devices is numerically investigated. The model treats the propagation of electrons in a semiconductor device as the flow of a charged compressible fluid. It plays an important role in predicting the behavior of electron flow in semiconductor devices. The nonlinear viscous quantum hydrodynamic models contain Euler-type equations for density and current, viscous and quantum correction terms, and a Poisson equation for electrostatic potential. Due to high nonlinearity of model equations, numerical solution techniques are applied to obtain their solutions.. The proposed numerical scheme is a splitting scheme based on the kinetic flux-vector splitting (KFVS) method for the hyperbolic step, and a semi-implicit Runge-Kutta method for the relaxation step. The KFVS method is based on the direct splitting of macroscopic flux functions of the system on the cell interfaces. The second order accuracy of the scheme is achieved by using MUSCL-type initial reconstruction and Runge-Kutta time stepping method. Several case studies are considered. For validation, the results of current scheme are compared with those obtained from the splitting scheme based on the NT central scheme. The effects of various parameters such as device length, viscosities, different doping and voltage are analyzed. The accuracy, efficiency and simplicity of the proposed KFVS scheme validates its generic applicability to the given model equations.

The field of biobanking human biospecimens has evolved significantly, transitioning from the basic, often poorly documented collection of clinical leftovers kept privately to well-organized and extensively documented collections overseen by both commercial and non-profit platforms. The increasing demand for high-quality and clinically annotated biospecimens is propelled by unprecedented levels of health research activities. Meeting this growing demand presents both new opportunities and challenges, particularly in developing strategies to establish international biospecimen sourcing (IBS) platforms. These platforms aim to facilitate collaboration among biobanks to address future biospecimen needs. In this manuscript, we delve into the advantages and challenges of establishing IBS platforms to provide high-quality and cost-effective biospecimens to drive drug discovery research, ultimately leading to improved health and quality of life for everyone.

Real-time data processing and decision-making are increasingly crucial in various applications, driven by the continuous influx of data streams. Event-driven AI workflows within serverless computing environments offer a promising approach to handle these real-time demands efficiently. This paper presents a framework for simulating and analyzing the performance characteristics of such workflows. Our proposed approach utilizes simulated data with varying event rates and durations to investigate the impact on key performance metrics like latency, throughput, and resource utilization. This enables a comprehensive evaluation of the inherent trade-offs within event-driven AI systems. The key findings reveal a trade-off between latency and throughput. As the event rate increases, average processing latency generally increases while average throughput increases. Resource utilization remains relatively stable across different event rates in the simulated scenarios (e.g., 75.55\% at 2 events/second, 74.51\% at 10 events/second). This framework provides a valuable tool for understanding the performance characteristics of event-driven AI workflows and optimizing resource allocation strategies.

Intermolecular interactions are the fabrics underlying almost all processes in living organisms, where two cornerstone concepts, intermolecular binding affinity (K d ) and binding energy (ΔG), have long been established to physically describe the strengths of biomolecular interactions, e.g., drug-target K d and ΔG to describe the strength of drug-target interaction. The past two-three years saw a big step forward in the use of artificial intelligence (AI) in structural biology (e.g., AlphaFold for protein structure prediction) and drug discovery & design. In light of the roles of K d and ΔG in drug discovery & design, the speed of this AI progress raises a question of what’s next for its practical application in the pharmaceutical industry, in addition to a system-wide account of biomolecular structures and motions. Last August, the concept of a general intermolecular binding affinity calculator (GIBAC) was for the first time coined and proposed in an MDPI-published preprint. Here, this article puts forward an updated conceptual and practical framework of GIBAC, including its inception, definition, construction, practical applications, technical challenges and limitations, and future directions. Moreover, this article argues that the time is now ripe for the construction of such an accurate, precise and efficient GIBAC to be on the agenda of the entire drug discovery & design community, to ensure its applicability & reliability, and to enhance its value in drug R&D in future.

The rapid development of quantum computing devices promises powerful machines with capabilities that solve a wide range of problems that traditional computers cannot. Therefore, quantum computers generate new threats at unprecedented speed and scale and specifically pose an enormous threat to encryption. Lattice-based cryptography is considered to be the rival to a quantum computer attack and the future of post-quantum cryptography. So, cryptographic protocols based on lattices have a variety of benefits, like security, efficiency, lower energy consumption, and speed. In this work, we study the most well-known lattice-based cryptosystems while a systematic evaluation and comparison is presented also, and focuses on their strengths and weaknesses.

Public restrooms are often a hub of microbial contamination, and the examination of bacterial contamination in these facilities can serve as an important indicator of the transmission of infectious diseases. This study was conducted to determine the prevalence of bacterial contamination in public restrooms based on the economic class of the building. Samples were collected from various spots in 32 restrooms found in 10 shopping malls, classifying them into two categories: upper-end restrooms and lower-end restrooms. The findings showed that the level of contamination was higher in the lower-end restrooms, with the seat being the most contaminated area. The most dominant Gram-positive bacteria were coagulase-negative staphylococci species, making up 86% of the identified Gram-positive isolates. The most dominant Gram-negative bacteria identified were Klebsiella pneumoniae and Pseudomonas aeruginosa. The antibiotic sensitivity test results revealed the presence of multi-drug resistant bacteria among the Gram-positive and negative isolates, including Staphylococcus haemolyticus, Staphylococcus kloosi, Acinetobacter baumanii, and Pseudomonas aeruginosa. In conclusion, the study underscores the significance of monitoring bacterial contamination in public restrooms and the need for measures to reduce the spread of infectious diseases. Further research is crucial to gain a complete understanding of the bacterial contamination in public restrooms and their resistance patterns, to ensure the safety and health of the public. The implementation of improved cleaning practices and hands-free designs in restrooms can help reduce the risk of cross-contamination and prevent the spread of diseases.

Laser-targeted weeding methods further enhance the sustainable development of green agriculture, with one key technology being the improvement of weed localization accuracy. Here, we propose an improved YOLOv8 instance segmentation based on bidirectional feature fusion and deformable convolution (BFFDC-YOLOv8-seg) to address the challenges of insufficient weed localization accuracy in complex environments with resource-limited laser weeding devices. Initially, by training on extensive datasets of plant images, the most appropriate model scale and training weights are determined, facilitating the development of a lightweight network. Subsequently, the introduction of the Bidirectional Feature Pyramid Network (BiFPN) during feature fusion effectively prevents the omission of weeds. Lastly, the use of Dynamic Snake Convolution (DSConv) to replace some convolutional kernels enhances flexibility, benefiting the segmentation of weeds with elongated stems and irregular edges. Experimental results indicate that the BFFDC-YOLOv8-seg model achieves a 4.9% increase in precision, an 8.1% increase in recall rate, and a 2.8% increase in mAP50 value to 98.8% on a vegetable weed dataset compared to the original model. It also shows improved mAP50 over other typical segmentation models such as Mask R-CNN, YOLOv5-seg, and YOLOv7-seg by 10.8%, 13.4%, and 1.8%, respectively. Furthermore, the model achieves a detection speed of 24.8 FPS on the Jetson Orin nano standalone device, with a model size of 6.8MB that balances between size and accuracy. The model meets the requirements for real-time precise weed segmentation, suitable for complex vegetable field environments and resource-limited laser weeding devices.

A full connected world is expected to gain in the 6th generation mobile network (6G). As a typi-cal fully connected scenario, the internet of vehicle (IoV) enables intelligent vehicle operations via artificial intelligence (AI) and edge computing technologies. In the future of vehicular net-works, wide variety of services need powerful computing resources and higher quality of ser-vice (QoS). Existing resources are insufficient to match these requirements. Aim to this problem, An intelligent service offloading framework is provided. Based on the framework, an Algorithm of Improved Gradient Descent (AIGD) is created to accelerate the speed of iteration. So, the con-vergence of convolutional neural network (CNN) based on AIGD is able to be accelerated too. Then, an Algorithm of convolutional long short-term memory (CN_LSTM) Based Traffic Predic-tion (ACLBTP) is designed to gain the predicted number of vehicles belonged to the edge node. At last, an Algorithm of Service Offloading Based on CN_LSTM (ASOBCL) is conducted to of-fload these services to the vehicles belonged to the edge node. In ASOBCL, sorting technique is adopted to speed up the offloading work. Simulation results demonstrate the fact that the pre-diction strategy designed in this paper has high accuracy. The low offloading time and main-taining stable load balance is gained via running ASOBCL. Low offloading time means short response time. And, the QoS is guaranteed. So, these strategies designed in this paper are effec-tive and valuable.

Cloud detection in remote sensing images is a crucial preprocessing step that efficiently identifies and extracts cloud-covered areas within the images, ensuring the precision and reliability of subsequent analyses and applications. Given the diversity of clouds and the intricacies of the surface, distinguishing the boundaries between thin clouds and the underlying surface is a major challenge in cloud detection. To address these challenges, an advanced cloud detection method, CloudformerV3, is presented in this paper. The proposed method employs a multi-scale adapter to incorporate dark and bright channel prior information into the model's backbone, enhancing the model's ability to capture prior information and multi-scale details from remote sensing images. Additionally, multi-level large window attention is utilized, enabling high-resolution feature maps and low-resolution feature maps to mutually focus and subsequently merge during the resolution recovery phase. This facilitates the establishment of connections between different levels of feature maps and offers comprehensive contextual information for the model's decoder. Experimental results on the GF1_WHU dataset demonstrate that the method introduced in this paper exhibits superior detection accuracy when compared to state-of-the-art cloud detection models. Furthermore, enhanced detection performance is achieved along cloud edges and with respect to thin clouds, showcasing the efficacy of the proposed method.

With the rapid development of the Internet of Things, massive amounts of data will be generated at the network edge, resulting in increased latency of the traditional cloud computing model. Cloud service providers deploy edge servers near the users to improve the quality of service. Due to the large scale of networks, the inefficiency of edge server deployment and task scheduling will result in excessive latency and severe workload imbalance among edge servers. In this paper, we propose a Server Deployment and Task Scheduling (SDTS) framework in multi-edge collaborative computing, which can effectively reduce latency and ensure workload balancing. First, a metropolitan area network (MAN) is divided into dense candidate regions (DCRs) based on the density characteristics of mobile end devices, and then servers are deployed independently in each sub-region. Then, a two-step clustering algorithm is designed to deploy servers as close as possible to the mobile devices. Finally, a task scheduling algorithm is presented based on an edge scheduling layer in DCRs, which can leverage collaboration between edge servers to improve the performance of the entire edge computing system. The experimental results based on the Cellular Base Station (CBS) dataset of Shanghai Telecom indicate that the proposed approach outperforms several representative strategies in terms of latency and workload balancing.

Hybrid Classical-Quantum computing has already arrived at several commercial quantum computers, offered to researchers and businesses. Here, application is made to a classical-quantum model of human neocortex, Statistical Mechanics of Neocortical Interactions (SMNI), which has had its applications published in many papers since 1981. However, this project only uses Classical (super-)computers. Since 2015, a path-integral algorithm, PATHINT, used previously to accurately describe several systems in several disciplines, has been generalized from 1 dimension to N dimensions, and from classical to quantum systems, qPATHINT. Published papers have described the use of qPATHINT to neocortical interactions and financial options. The classical space described by SMNI applies nonlinear nonequilibrium multivariate statistical mechanics to synaptic neuronal interactions, while the quantum space described by qPATHINT applies synaptic contributions from Ca2+ waves generated by astrocytes at tripartite neuron-astrocyte-neuron sites. Previous SMNI publications since 2013 have calculated the astrocyte Ca2+ wave synaptic interactions from a closed-form (analytic) expression derived by the author. However, more realistic random shocks to the Ca2+ waves from ions entering and leaving these wave packets should be included using qPATHINT between electroencephalographic (EEG) measurements which decohere the quantum wave packets. This current project extends calculations to multiple scales of interaction between classical events and expectations over the Ca2+ quantum processes to include these random shocks in previous codes used to fit EEG data to the SMNI model, that included the analytic forms for the quantum processes but now replaced by qPATHINT. The author's Adaptive Simulated Annealing (ASA) importance-sampling optimization code is used for fitting the combined classical-quantum system. Gaussian Quadratures is used for numerical calculation of momenta expectations of the astrocyte processes that contribute to SMNI synaptic interactions. This project thereby demonstrates how some hybrid classical-quantum systems may be calculated quite well using only classical (super-)computers.

Hybrid Classical-Quantum computing has already arrived at several commercial quantum computers, offered to researchers and businesses. Here, applications are made to a model of financial options, Statistical Mechanics of Financial Markets (SMFM). These applications were published in many papers since the 1980's. This project only uses Classical (super-)computers to include quantum features of these models. Since 1989, an optimization code, Adaptive Simulated Annealing (ASA), has been to fit parameters in such models. Since 2015, a path-integral algorithm, PATHINT, used previously to accurately describe several systems in several disciplines, has been generalized from 1 dimension to N dimensions, and from classical to quantum systems, qPATHINT. Published papers have described the use of qPATHINT to neocortical interactions and financial options. The classical space by SMFM applies nonlinear nonequilibrium multivariate statistical mechanics to fit parameters in conditional short-time probability distributions, while the quantum space described by qPATHINT deals specifically with quantum systems, e.g., quantum money. This project thereby demonstrates how some hybrid classical-quantum systems may be calculated quite well using only classical (super-)computers.

In this paper, a seamless connection between sensor technology and machine learning (ML) has been presented which has wide applicability in rehabilitation and physical medicine. The intent is to identify an ML algorithm which has a better performance, easy to deploy, and has less training time and consumes less computational resources. In short, we propose an algorithm which maximizes the synergy between a sensor and ML by maximizing classification performance and easy to do implementation, which is robust in computational power and lower in resource consumption. The premise of the work is to show the important considerations for evaluating ML algorithms for Upper-limb activity recognition for Physical medicine and rehabilitation field.

As Artificial Intelligence (AI) technology, particularly Machine Learning algorithms, becomes increasingly ubiquitous, our abilities to understand and interpret AI and machine learning algorithms are becoming increasingly desirable. Visualization has been used as a common tool to view and understand complex machine learning processes. In this paper, we will focus on developing a general framework for the visualization of machine learning models as a scalar valued multi-dimensional function to help users understand how the models behave over different viewing spaces. We first give a formal definition of the visualization problem. Interpolation-based morphing and subspace sampling techniques are applied to generate various renderings through projections and cross-sections of the model space as 3D surfaces or heatmap images. This method will be applied to two real-world datasets and applications: the diagnosis of Alzheimer's Disease (AD) using a human brain networks dataset and a real-world benchmark dataset for predicting home credit default risks. The visualizations show that different machine learning algorithms can behave quite differently under different conditions.

In the last two decades, the application of composite structures in many industrial sectors has been made progressively. For the current major scientific and technological challenge, the energy transition with sustainable and eco-friendly initiatives, the polymer matrix laminated composites have been revealed as an excellent alternative for the renewable energy sector. In this context, the knowledge about mechanical behavior of multiphase materials is required. Then, researches related to macro, mesomechanical and multiscale approaches are very important to improve the accuracy of the models to predict effective mechanical properties and to develop a better understanding about complex phenomena such as progressive damage, creep and fatigue. Due to theses necessities, this research is a synthesis of fundamentals and advanced topics concerning to global modeling of laminated composite structures, layerwise analyzes and micro-macromechanical models, in which mainly fiber, matrix, interface and damage characteristics are studied and used in the macroscale approach. A deeper physical and mathematical description of the models is proposed, intead of general and vague reviews typically stated in the specific literature. At the end of this work, some final remarks and a trend analysis are made based on articles consulted, in other words, expectations for the future works are done by the authors of this study.

Glioblastoma is a highly aggressive brain tumor characterized by rapid growth, extensive infiltration, and poor prognosis. Understanding the complex interplay of biological processes driving glioblastoma progression is crucial for developing effective therapeutic strategies. In this study, we present a comprehensive mathematical model that incorporates key aspects of glioblastoma growth and dissemination, including tumor cell diffusion, angiogenesis, nutrient availability, molecular signaling pathways, and blood-brain barrier (BBB) interactions. The model is based on a system of coupled partial differential equations (PDEs) and ordinary differential equations (ODEs) that capture the spatiotemporal dynamics of tumor cell density, nutrient concentration, signaling molecule concentrations, and BBB integrity. We employ numerical simulation techniques, such as the finite difference method and the Runge-Kutta method, to solve the model equations and visualize the evolution of tumor growth and its associated biological processes. The model parameters are estimated using experimental data from the literature, and the model is validated against clinical observations. Furthermore, we perform a comprehensive sensitivity analysis to identify the key parameters that significantly influence tumor growth, diffusion, and dissemination. The sensitivity analysis reveals the relative importance of each parameter in driving glioblastoma progression and highlights potential targets for therapeutic interventions. Our computational framework provides a powerful tool for understanding the complex dynamics of glioblastoma growth and offers valuable insights into the underlying biological mechanisms. The model can be used to test hypotheses, predict tumor response to various treatment strategies, and guide the design of targeted therapies. The findings from this study contribute to the ongoing efforts in developing personalized treatment approaches for glioblastoma patients and improving their clinical outcomes.

Sex differences are essential factors in disease etiology and manifestation in many diseases such as cardiovascular disease, cancer, and neurodegeneration (1). The biological influence of sex differences (including genomic, epigenetic, hormonal, immunological, and metabolic differences between males and females) and the lack of biomedical studies considering sex differences in their study design has led to several policies. For example, the National Institute of Health’s (NIH) sex as a biological variable (SABV) and Sex and Gender Equity in Research (SAGER)) policies to motivate researchers to consider sex differences (2). However, drug repurposing, a promising alternative to traditional drug discovery by identifying novel uses for FDA-approved drugs, lacks sex-aware methods that can improve the identification of drugs that have sex-specific responses (1,3–5). Sex-aware drug repurposing methods either select drug candidates that are more efficacious in one sex or deprioritize drug candidates based on if they are predicted to cause a sex-bias adverse event (SBAE), unintended therapeutic effects that are more likely to occur in one sex. Computational drug repurposing methods are encouraging approaches to develop for sex-aware drug repurposing because they can prioritize sex-specific drug candidates or SBAEs at lower cost and time than traditional drug discovery. Sex-aware methods currently exist for clinical, genomic, and transcriptomic information (3,6,7). They have not expanded to other data types, such as DNA variation, which has been beneficial in other drug repurposing methods that do not consider sex (8). Additionally, some sex-aware methods suffer from poorer performance because a disproportionate number of male and female samples are available to train computational methods (3). However, there is development potential for several different categories (i.e., data mining, ligand binding predictions, molecular associations, and networks). Low-dimensional representations of molecular association and network approaches are also especially promising candidates for future sex-aware drug repurposing methodologies because they reduce the multiple hypothesis testing burden and capture sex-specific variation better than the other methods (9,10). Here we review how sex influences drug response, the current state of drug repurposing including with respect to sex-bias drug response, and how model organism study design choices influence drug repurposing validation.

In the era of information explosion in e-commerce, users face an overload problem. Recommender systems alleviate this by filtering target products based on user preferences. Collaborative Filtering (CF) is a popular method but struggles with high-quality recommendations due to data sparsity. Utilizing review texts to capture user preferences has improved CF recommendations. This paper proposes a deep learning-based recommendation framework leveraging bidirectional gated recurrent units (Bi-GRUs) and an attention-based Recurrent Neural Networks (RNN) structure. This framework addresses insufficient user rating data by utilizing user reviews to infer preferences. Experimental results on three datasets show that the proposed Bi-GRUCF model outperforms other state-of-the-art methods, achieving a 55.4% improvement in Mean Absolute Error (MAE) over traditional methods and a 77.8% improvement over other deep learning approaches. This demonstrates the framework's superior recommendation quality, particularly in sparse data scenarios.

Mutations in epidermal growth factor receptor (EGFR) occur in about 48% of Asian and 19% of Western patients with lung adenocarcinoma (LUAD), leading to its constitutive activation and subsequent uncontrolled cell proliferation. To counteract this, tyrosine kinase inhibitors (TKIs) have been developed, targeting EGFR activity. However, the emergence of metastases and resistance mutations often undermines the durability of the treatment response. Knowledge-based mechanistic models that replicate existing clinical trial outcomes, tailored to specific population characteristics, provide invaluable assistance in designing future clinical trials. These models are particularly effective in identifying optimal responders to specific treatments, thereby enhancing therapeutic efficacy. We have developed physiologically based pharmacokinetic (PBPK) models for gefitinib and osimertinib, representing two distinct generations of EGFR TKIs, to accurately simulate the drugs’ distribution within the primary tumor and metastatic sites following oral administration. These models were integrated with a pathophysiological mechanistic model of EGFR-mutant LUAD, enabling the representation of the effects of both gefitinib and osimertinib on EGFR activation-induced signaling pathways. This comprehensive model outputs detailed evolutions of the primary tumor and each metastatic site, facilitating the evaluation of patient progression in alignment with RECIST guidelines (version 1.1). Notably, the model encapsulates the heterogeneity within the tumor, through the representation of various subclones, each characterized by unique mutation profiles, thereby reflecting differential responses to treatment. Calibration of the model was achieved using publicly available data from the NEJ002 and FLAURA clinical trials. Rigorous visual predictive checks and statistical tests were employed to ensure the proper behavior of the model. The model adeptly replicated the time to progression observed in real clinical trials in EGFR-mutant LUAD patients receiving gefitinib or osimertinib as first-line therapy. In addition, the model was able to reproduce the results from a retrospective study comparing gefitinib and osimertinib, a study that was not used to inform the model. With a consistent virtual population as a reference, the combined model facilitated a comparative analysis of the efficacy of both treatments, thereby underscoring its utility in evaluating therapeutic strategies. The faithful replication of real-world data significantly enhances the credibility of our model, rendering it a vital investigational tool for deriving pertinent insights and informing treatment strategies, particularly in identifying optimal responders to various generations of EGFR TKIs. Following its consecutive prospective validations in the FLAURA2 and MARIPOSA trials, the model is poised to facilitate the generation of synthetic control arms in future clinical trials. This advancement promises a more nuanced analysis of covariate relationships, especially when comparing investigational treatments to established standards of care. Additionally, it potentially reduces the required patient cohort size in such trials, optimizing resource utilization.

The knowledge in chemical composition of propolis is crucial for understanding the characteristics of products of different origin, but also for quality control and regulatory purposes. To date, offical monographs or official analyses that allow to evaluate propolis in a proper way have not yet been released. This study focuses on the characterization of twenty-seven Italian propolis and the identification of chemical markers that define its geographical provenance. Total polyphenol (TP) and total flavonoid (TF) content, alongside the quantification of pinocembrin, chrysin, galangin, and caffeic acid phenethyl ester (CAPE), were identified as as potential markers. Additionally, DPPH assays was conducted to evaluate antiradicalic activity of propolis samples. Our findings demonstrated that TP, TF and pinocembrin differed in propolis of different origin, especially in samples from the islands. However, the quantification of the sum of chrysin and galangin and CAP provided a clear distinction of the geographical origin of the propolis samples. In contrast, the DPPH assay did not prove useful for this purpose, as most results were similar and, therefore, not significant. This study lays the groundwork for future research on propolis. These findings could contribute to the development of more refined methods for distinguishing propolis origins, enhancing the understanding, valuation and quality control of this natural product in various applications.

The COVID-19 pandemic profoundly impacted older people in residential aged care facilities (RACFs), especially those with dementia. This retrospective cohort study investigates the impact of the pandemic on agitation incidents within this population in 40 Australian RACFs. We compared pre-pandemic data (January-October 2019) with during-pandemic data (same months in 2020 and 2021) from electronic health records (EHRs) using Python to extract information from nursing notes. Various statistical analyses, including descriptive statistics to summarize the data, and a chi-square test to examine any significant association between the COVID-19 pandemic and the prevalence of dementia and agitation in dementia. Dementia prevalence dropped by 1.98% in 2021 compared to 2019, and by 4.09% compared to 2020 (p < 0.05). Overall agitation symptoms decreased by 20.1% from 2019 to 2021 (p < 0.05), but six specific symptoms increased: resisting (28.98%), wandering (11.78%), restlessness (3.19%), complaining (10.1%), arguing (2.36%), and outbursts (1.74%) (p < 0.05). Conversely, pacing decreased by 15.88% and speaking loudly de-creased by 10.9% (p < 0.05). Over half of the care recipients experienced agitation symptoms 2-5 times each year, increasing from 50.56% in 2019 to 58.28% in 2021 (p < 0.05). It is important to exercise caution regarding the accuracy of these findings due to the reduced opportunity for busy care staff to record behavioral changes caused by the isolation of individuals in their rooms during the pandemic.

Does cell clustering influence intrinsic and acquired multi-drug resistance (MDR) differently? To address this question, we studied cultured monolayers (representing individual cells) and cultured spheroids (representing clusters) formed by drug-naïve (intrinsic MDR) and drug-exposed (acquired MDR) lines of ovarian cancer A2780 cells by cytometry of reaction rate constant (CRRC). MDR efflux was characterized by accurate and robust “cell number vs. MDR efflux rate constant (kMDR)” histograms. Both drug-naïve and drug-exposed monolayer cells presented unimodal histograms; the histogram of drug-exposed cells was shifted towards higher kMDR value suggesting greater MDR activity. Spheroids of drug-naïve cells presented a bimodal histogram indicating the presence of two subpopulations with different MDR activity. In contrast, spheroids of drug-exposed cells presented a unimodal histogram qualitatively similar to that of the monolayers of drug-exposed cells but with a moderate shift towards greater MDR activity. The observed greater effect of cell clustering on intrinsic than on acquired MDR can help guide the development of new therapeutic strategies targeting clusters of circulating tumor cells.

In addition to their importance in statistical thermodynamics, probabilistic entropy measurements are crucial for understanding and analyzing complex systems, with diverse applications in time series and one-dimensional profiles. However, extending these methods to two- and three-dimensional data still requires further development. In this study, we present a new method to classify spatiotemporal processes based on entropy measurements. To test and validate the method, we selected four classes of similar processes related to the evolution of random patterns: dynamic colored noises ((i)~white and (ii)~red); (iii)~weak turbulence from reaction-diffusion; (iv)~hydrodynamic fully developed turbulence, and (v)~plasma turbulence from MHD. Considering seven possible ways to measure entropy from a matrix, we present the method as a parameter space composed of the two best separating measures of the five selected classes. The results highlight better combined performance of Shannon Permutation Entropy ($S^p_H$) and a new approach based on Tsallis Spectral Permutation Entropy ($S^s_q$). Notably, our observations reveal the segregation of reaction terms in this $S^p_H \times S^s_q$ space, a result that identifies specific sectors for each class of dynamic process, and can be used to train machine learning models for automatic classification of complex spatiotemporal patterns.

The Cyber Security Incident Response Team executes its critical duties in the Centralized Security Operation Centers. Its primary target is to protect organizational resources from all types of Advanced Persistent Threats (APT) and attacks while making the correct judgments at the right time. Despite the great efforts and the efficient tools, the incident response mechanism faces two significant challenges. The generation of large amounts of alerts with huge rates of false positives per unit of time and the time-consuming manual expert engagement in the post-alert decision phase. The main aim of this research study is to investigate the potential of Machine Learning techniques in solving the above challenges. This study proposes six event detection modules to identify 14 different types of malicious behavior using Splunk. The available APT dataset is extended by adding more alert types. Then, the machine learning techniques i.e., Random Forest, and XGBoost, are applied to improve the decision process and reduce the false positive alerts of the Security Information and Event Management system. The proposed model outperforms the state-of-the-art techniques by predicting an accuracy of 99.6%.

Histone changes that are adjustable and transmitted without altering the DNA sequence are part of epigenetic control. In many disorders, most famously malignancy, abnormal genetic information is seen as a result of mismanagement of typical epigenetic mechanisms. A paradigm change in the diagnosis and treatment of cancer has been brought about by recent discoveries about the processes of epigenetic modifications, chromatin remodeling, and noncoding RNAs implicated in the changed expression patterns of tumor cells. There is a significant increase in the search for drugs that could alter the epigenetic environment altered by tumor cells and benefit from their therapeutic potential. Phytochemicals with a high concentration of naturally produced phenol molecules known as flavonoids can regulate genomic processes. Understanding the precise epigenetic alterations brought on by flavonoid-mediated mechanisms is necessary to develop combination therapy techniques and genomic therapies for cancer. This article aims to thoroughly examine the epigenetic modifications of flavonoids, including their anticancer properties.

Artificial Intelligence (AI) is one of the key technologies of the Fourth Industrial Revolution (Industry 4.0), which can be used for the protection of Internet-connected systems from cyber-threats, attacks, damage, or unauthorized access. To intelligently solve today's various cybersecurity issues, popular AI techniques involving Machine Learning (ML) and Deep Learning (DL) methods, the concept of Natural Language Processing (NLP), Knowledge Representation and Reasoning (KRR), as well as the concept of knowledge or rule-based Expert Systems (ES) modeling can be used. Based on these AI methods, in this paper, we present a comprehensive view on "AI-driven Cybersecurity" that can play an important role for intelligent cybersecurity services and management. The security intelligence modeling based on such AI methods can make the cybersecurity computing process automated and intelligent than the conventional security systems. We also highlight several research directions within the scope of our study, which can help researchers do future research in the area. Overall, this paper's ultimate objective is to serve as a reference point and guidelines for cybersecurity researchers as well as industry professionals in the area, especially from an AI-based technical point of view.

Trypanosomatids are mainly responsible for leishmaniasis, sleeping sickness, and Chagas disease, which are the most challenging among the neglected tropical diseases due to the problem of drug resistance. Although problems of target deconvolution and polypharmacology are encountered, a target-based approach is a rational method for screening drug candidates targeting a biomolecule that causes diseases. The present study aims to summarize the latest information re-garding potential inhibitors of squalene synthase and farnesyl phosphate synthase with anti-Trypanosomatidae activity. The information was obtained by referencing textbooks and major scientific databases from their inception until April 2023. Based on in vitro experiments, more than seventy compounds were reported to inhibit squalene synthase and farnesyl diphosphate synthase. Among these compounds, more than 30 were found to be active in vitro against Trypanosomatidae, inferring that these compounds can be prospected as scaffolds for the development of new drugs against trypanosomatid-related infections. Over-all, natural and synthetic products can inhibit enzymes that are crucial for the survival and virulence of trypanosomatids. Moreover, in vitro experiments have confirmed the activity of more than half of these inhibitors using cell-based as-says. Nevertheless, additional studies on the cytotoxicity, pharmacokinetics, and lead optimization of potent anti-Trypanosomatid compounds should be investi-gated.

Alzheimer's disease (AD) remains a significant challenge in the field of neurodegenerative disor-ders, even nearly a century after its discovery, due to the elusive nature of its causes. The develop-ment of drugs that target multiple aspects of the disease has emerged as a promising strategy to address the complexities of AD and related conditions. The immune system's role, particularly in AD, has gained considerable interest, with nanobodies representing a new frontier in biomedical research. Advances in targeting antibodies against amyloid-β (Aβ) and using messenger RNA for genetic translation have revolutionized the production of antibodies and drug development, open-ing new possibilities for treatment. Despite these advancements, conventional treatments for AD, such as Cognex, Exelon, Razadyne, and Aricept, often have limited long-term effectiveness, under-scoring the need for innovative solutions. This necessity has led to the incorporating of advanced technologies like artificial intelligence and machine learning into the drug discovery process for neurodegenerative diseases. These technologies help identify therapeutic targets and optimize lead compounds, offering a more effective approach to addressing the challenges of AD and similar conditions.

The paper proposes an approach to solving the inverse epidemiological problem, written in terms of the “mean field” theory. Finding the coefficients of the epidemiological SIR mean field model is reduced to solving an optimization problem, for the solution of which only zero-order methods can be used. The Nelder-Mead method was chosen as such a method. The algorithm for solution of the inverse coefficient problem is proposed. Computational experiments were carried out to compare the obtained solutions with respect to synthetic and real data. The results of computational experiments have shown the efficiency of this approach. Ways to further improve the approach have also been determined.

Stellatolides are natural compounds that have shown promising biological activities, including antitumor, antimicrobial, and anti-inflammatory properties, making them potential candidates for drug development. Chemical Reactivity Theory (CRT) is a branch of chemistry that explains and predicts the behavior of chemical reactions based on the electronic structure of molecules. Conceptual Density Functional Theory (CDFT) and Computational Peptidology (CP) are computational approaches used to study the behavior of atoms, molecules, and peptides. In this study, we present the results of our investigation of the chemical reactivity and ADMET properties of Stellatolides A-H using a novel computational approach called Conceptual DFT-based Computational Peptidology (CDFT-CP). Our study uses CDFT and CP to predict the reactivity and stability of molecules and to understand the behavior of peptides at the molecular level. We also predict the ADMET properties of the Stellatolides A-H to provide insight into their effectiveness, potential side effects, and optimal dosage and route of administration. This study sheds light on the potential of Stellatolides A-H as promising candidates for drug development and highlights the potential of CDFT-CP for the study of other natural compounds and peptides.