Number Of Complexes Research Articles

BRD4 inhibition rewires cardiac macrophages toward a protective phenotype marked by low MHC class II expression.

Bromodomain and extraterminal domain (BET) proteins, including BRD4, bind acetylated chromatin and coactivate gene transcription. A BET inhibitor, JQ1, prevents and reverses pathological cardiac remodeling in preclinical models of heart failure. However, the underlying cellular mechanisms by which JQ1 improves cardiac structure and function remain poorly defined. Here, we demonstrate that BRD4 knockdown reduced expression of genes encoding CC chemokines in cardiac fibroblasts, suggesting a role for this epigenetic reader in controlling fibroblast-immune cell cross talk. Consistent with this, JQ1 dramatically suppressed recruitment of monocytes to the heart in response to stress. Normal mouse hearts were found to have approximately equivalent numbers of major histocompatibility complex (MHC-II)high and MHC-IIlow resident macrophages, whereas MHC-IIlow macrophages predominated following JQ1 treatment. Single-cell RNA-seq data confirmed that JQ1 treatment or BRD4 knockout in CX3CR1+ cells reduced MHC-II gene expression in cardiac macrophages, and studies with cultured macrophages further illustrated a cell autonomous role for BET proteins in controlling the MHC-II axis. Bulk RNA-seq analysis demonstrated that JQ1 blocked pro-inflammatory macrophage gene expression through a mechanism that likely involves repression of NF-κB signaling. JQ1 treatment reduced cardiac infarct size in mice subjected to ischemia/reperfusion. Our findings illustrate that BET inhibition affords a powerful pharmacological approach to manipulate monocyte-derived and resident macrophages in the heart. Such an approach has the potential to enhance the reparative phenotype of macrophages to promote wound healing and limit infarct expansion following myocardial ischemia.NEW & NOTEWORTHY BRD4 inhibition blocks stress-induced recruitment of pro-inflammatory monocytes to the heart. BRD4 inhibition reprograms resident cardiac macrophages toward a reparative phenotype marked by reduced NF-κB signaling and diminished MHC-II expression. BRD4 inhibition reduces infarct size in an acute model of ischemia/reperfusion injury in mice.

Power and Energy Transformation: Multi-Criteria Decision-Making Utilizing Complex q-Rung Picture Fuzzy Generalized Power Prioritized Yager Operators

Existing studies in decision-making often face limitations in adequately handling complex and uncertain environments. This study addresses these shortcomings by introducing novel operations and aggregation techniques tailored for complex q-rung picture fuzzy numbers (Cq-RPFNs). Building upon the drawbacks of conventional approaches, we extend Yeager's operations to Cq-RPFNs, enabling comprehensive operations such as addition, multiplication, scalar product, and scalar power. Additionally, two aggregation operators, the Complex q-rung Picture Fuzzy Generalized Power Prioritized Yager Weighted Average, and the Complex q-rung Picture Fuzzy Generalized Power Prioritized Yager Weighted Geometric are developed to overcome the limitations of existing aggregation methods. Rigorous analysis of these operators for properties such as idempotency and monotonicity ensures their robustness in decision-making processes. Through a comprehensive multi-criteria decision-making method utilizing these operators, decision-makers are empowered to navigate complex decision landscapes effectively. Comparative evaluations against existing alternatives highlight the superiority and effectiveness of the proposed approaches. A case study focusing on India's Power and Energy Sector in 2024 demonstrates practical application, supported by numerical examples that validate the methodologies' efficacy. This study addresses the drawbacks of existing approaches and provides valuable insights and tools for decision-makers operating in complex and uncertain domains.

СРАВНИТЕЛЬНАЯ ОЦЕНКА МОРФОТИПОВ КОПЕЕЧНИКА АЛЬПИЙСКОГО

The purpose of the study is a comparative assessment of two morphotypes of the cultivated population of Alpine sweetvetch as a rationale for the selection of initial forms for breeding. The studies were carried out on a complex of morphological and economically valuable traits among introduced plants: in terms of growth vigor (plant height and number of shoots), yield structure, and the content of mangiferin in raw materials. In the cultivated population of Alpine sweetvetch in the FSBRI All-Russian Research Institute of Medicinal and Aromatic Plants (VILAR), forms with green and colored stems were identified. The dynamics of the yield structure in the two studied morphotypes, regardless of the year of observation and the age of the plants, has similar indicators. Alpine sweetvetch plants with anthocyanin staining of the stems slightly exceed the unpainted form in height and number of generative shoots. Sweetvetch plants with green stems are characterized by a higher number of complex leaves on one generative shoot. In plants with anthocyanin staining of stems, the share of leaves in the total biomass is 46 %, the share of inflorescences is 10 %, and the share of stems is 44 %. In Alpine sweetvetch plants with green stems, leaves account for 51 % of the total biomass. The presence of anthocyanin staining does not affect the content of mangiferin in the sweetvetch’s organs. Forms with anthocyanin staining contain mangiferin: in leaves – 5.81 ± 0.16 %; in inflorescences – 1.49 ± 0.08; in stems – 0.23 ± 0.002 %. Forms without anthocyanin staining contain mangiferin: in leaves – 5.68 ± 0.13 %; in inflorescences – 1.52 ± 0.08; in stems – 0.19 ± 0.002 %. Alpine sweetvetch plants with green stems have 5 % more leaves than plants with anthocyanin staining. Therefore, this is a better yield structure and a greater potential yield of mangiferin.

Selecting the Optimal DFT Functionals for Reproducing the UV‐Vis Properties of Transition‐Metal Photocatalysts

AbstractWe have applied our practice‐oriented TDDFT benchmark strategy to assess the performance of pure, hybrid, range‐separated hybrid and double‐hybrid functionals for reproducing the electronic spectra of a set of 137 transition‐metal complexes. Our results enable simple pre‐screening of new transition‐metal based photocatalysts. The reference data is based on recently published measurements, from which we have established a new database. The database is named TMPHOTCAT‐137 to reflect the number of complexes (with Cu, Ru, Ir, Fe, Au, Mo and W centres) included and the fact that all of them are either proven or potential photocatalysts. We have found that the M06 functional is the best performer both in terms of practical accuracy and consistency for all metals except Fe. While B3LYP is similarly accurate for Ru and Ir complexes, for the rest of the metals significant wavelength scaling is necessary. Compared to our previous benchmark for organic photocatalysts, double‐hybrid functionals exhibit considerably poorer results while the range separated hybrids CAM−B3LYP and ωB97X−D offer the most consistent performance for both datasets. Among the metals, iron proved to be most difficult for TDDFT: even M06 predicts singlet‐singlet absorption spectra and quintet ground states erroneously, especially for weak ligand fields (i. e., only Fe−N bonds). The functionals that do not exhibit this behaviour are the pure (GGA, meta‐GGA) functionals, but the role of HF exchange in the spectral prediction is equivocal; while functionals with high amounts of HF exchange perform insufficiently, smaller amount of exact exchange yields overall better performance (M06, B3LYP). We have also shown that inclusion of spin‐orbit coupling for the heavier metals does not improve the results. The updated spectrum optimizer code, the TMPHOTCAT‐137 database and the Jupyter Notebook used for analysis are available at github.com/PeterF1234/spectrum_optimizer.

Target-agnostic identification of human antibodies to Plasmodium falciparum sexual forms reveals cross-stage recognition of glutamate-rich repeats

Circulating sexual stages of Plasmodium falciparum (Pf) can be transmitted from humans to mosquitoes, thereby furthering the spread of malaria in the population. It is well established that antibodies can efficiently block parasite transmission. In search for naturally acquired antibodies targets on sexual stages, we established an efficient method for target-agnostic single B cell activation followed by high-throughput selection of human monoclonal antibodies (mAbs) reactive to sexual stages of Pf in the form of gametes and gametocyte extracts. We isolated mAbs reactive against a range of Pf proteins including well-established targets Pfs48/45 and Pfs230. One mAb, B1E11K, was cross-reactive to various proteins containing glutamate-rich repetitive elements expressed at different stages of the parasite life cycle. A crystal structure of two B1E11K Fab domains in complex with its main antigen, RESA, expressed on asexual blood stages, showed binding of B1E11K to a repeating epitope motif in a head-to-head conformation engaging in affinity-matured homotypic interactions. Thus, this mode of recognition of Pf proteins, previously described only for Pf circumsporozoite protein (PfCSP), extends to other repeats expressed across various stages. The findings augment our understanding of immune-pathogen interactions to repeating elements of the Plasmodium parasite proteome and underscore the potential of the novel mAb identification method used to provide new insights into the natural humoral immune response against Pf.

Target-agnostic identification of human antibodies to Plasmodium falciparum sexual forms reveals cross-stage recognition of glutamate-rich repeats.

Circulating sexual stages of Plasmodium falciparum (Pf) can be transmitted from humans to mosquitoes, thereby furthering the spread of malaria in the population. It is well established that antibodies can efficiently block parasite transmission. In search for naturally acquired antibodies targets on sexual stages, we established an efficient method for target-agnostic single B cell activation followed by high-throughput selection of human monoclonal antibodies (mAbs) reactive to sexual stages of Pf in the form of gametes and gametocyte extracts. We isolated mAbs reactive against a range of Pf proteins including well-established targets Pfs48/45 and Pfs230. One mAb, B1E11K, was cross-reactive to various proteins containing glutamate-rich repetitive elements expressed at different stages of the parasite life cycle. A crystal structure of two B1E11K Fab domains in complex with its main antigen, RESA, expressed on asexual blood stages, showed binding of B1E11K to a repeating epitope motif in a head-to-head conformation engaging in affinity-matured homotypic interactions. Thus, this mode of recognition of Pf proteins, previously described only for Pf circumsporozoite protein (PfCSP), extends to other repeats expressed across various stages. The findings augment our understanding of immune-pathogen interactions to repeating elements of the Plasmodium parasite proteome and underscore the potential of the novel mAb identification method used to provide new insights into the natural humoral immune response against Pf.

Quantum–Fractal–Fractional Operator in a Complex Domain

In this effort, we extend the fractal–fractional operators into the complex plane together with the quantum calculus derivative to obtain a quantum–fractal–fractional operators (QFFOs). Using this newly created operator, we create an entirely novel subclass of analytical functions in the unit disk. Motivated by the concept of differential subordination, we explore the most important geometric properties of this novel operator. This leads to a study on a set of differential inequalities in the open unit disk. We focus on the conditions to obtain a bounded turning function of QFFOs. Some examples are considered, involving special functions like Bessel and generalized hypergeometric functions.

Regular Singular Volterra Equations on Complex Domains

Regular Singular Volterra Equations on Complex Domains

Quantum and complex-valued hybrid networks for multi-principal element alloys phase prediction.

This study introduces a hybrid network model for phase classification, integrating quantum networks and complex-valued neural networks. This architecture uses elemental composition as its only input, eliminating complex feature engineering. Parameterized quantum networks handle sparse elemental data and convert data from real to complex domains, increasing information dimensionality. Complex-valued neural networks process data in the complex domain, significantly reducing information loss during transitions. The experimental results show that the hybrid model achieves a phase classification accuracy of 94.93%, outperforming the best machine learning model by 2.27% and the quantum model by 8.67%. Precision, recall, and F1-score are also excellent at 0.9494, 0.9493, and 0.9500, respectively. Additional tests on phase transitions in alloys confirm the model's robust generalization, identifying transition thresholds at 0.46 and 0.88, closely matching the 0.45 and 0.88 reported in related studies.

The structure-dynamics feedback mechanism governs the glassy dynamics in epithelial monolayers.

The glass-like slow dynamics in confluent epithelial monolayers is crucial for wound healing, embryogenesis, cancer progression, etc. Experiments have indicated several unusual properties in these systems. Unlike ordinary glasses, the glassiness in cellular systems strongly correlates with their static properties and is sub-Arrhenius. These results imply that the slow dynamics in epithelial monolayers is either not glassy or the underlying mechanism is different from ordinary glasses. Combining the analytical mode-coupling theory (MCT), vertex model simulations, and cellular experiments, we show that the slow dynamics is glassy, though the mechanism differs from ordinary glasses. The structure-dynamics feedback mechanism of MCT, and not the barrier-crossing mechanism, dominates the glassy dynamics, where the relaxation time diverges as a power law with a universal exponent 3/2 and naturally explains the sub-Arrhenius relaxation. Our results suggest the possibility of describing various complex biological processes like cell division and apoptosis via the static properties of the systems, such as average cell shape or shape variability.

Resolving the “three-fit” problems in enterprise information systems: a design science approach with ontological solutions

PurposeAddressing integrity, flexibility and interoperability challenges in enterprise information systems (EISs) is often hindered by the “three-fit” barrier, which encompasses vertical, horizontal and transversal fit problems. To overcome these obstacles, we propose solutions aimed at defining the business view of EIS. This study addresses these issues by proposing solutions tailored to the business view of EIS. Specifically, it introduces the core ontology of sensitive business processes (COSBP), a conceptual framework designed to formalize and define the multidimensional dimensions of sensitive business processes (SBPs). By providing a unified structure of central concepts and semantic relationships, COSBP enhances both knowledge management (KM) and business process management (BPM) in organizational contexts.Design/methodology/approachThis paper adopts the design science research methodology covering the phases of a design-oriented research project that develops new artifacts, such as the COSBP ontology, based on SBP modeling requirements. Following a formal multi-level, multi-component approach, COSBP is structured into sub-ontologies across different abstraction levels. Built upon the Descriptive Ontology for Linguistic and Cognitive Engineering (DOLCE) foundational ontology, COSBP integrates and extends core concepts from core domain ontologies in business processes. The framework specifies six key modeling dimensions of SBPs – functional, organizational, behavioral, informational, intentional and knowledge – each represented as a distinct class of ontological modules (OMs).FindingsCOSBP offers a semantically rich and precise framework for modeling SBPs, addressing complexity and ambiguity in conceptual modeling. It supports the creation of expressive and effective SBP models while enabling consensus-driven representation at a generic level. Additionally, COSBP serves as a foundation for extending modeling notations and developing tools that align with these notations. Its application in enterprise environments improves the integration, adaptability and interoperability of EISs, ultimately enhancing organizational processes and decision-making.Originality/valueThe development of the COSBP ontology holds considerable potential for application in various industries beyond its original focus on business process management and KM. The ontology’s capability to semantically model sensitive, knowledge-intensive and dynamic processes can be extended to other real-life scenarios in other complex domains and sectors – for example, finance and banking, government and public services, insurance, manufacturing and supply chain management, retail, E-commerce, logistics and transportation crisis management, government and public services, higher education and so on. By integrating artificial intelligence (AI) with the COSBP ontology, we aim to enable more intelligent decision-making, process monitoring and improved management of SBPs in knowledge-driven domains.

Position analysis of the tripod joint: An alternative approach

The position analysis, which is the most challenging phase of the kinematic analysis of a mechanism, was solved for the tripod joint, in exhaustive form, a few decades ago. The method proposed at the time was supposed to be able to find all possible assembly configurations of the joint. Regrettably, it becomes useless when the angle that parametrizes the position of one of the connected shafts reaches some specific values, which happens several times for each turn of the shaft; moreover, an error in the expression of a coefficient of a pivotal equation hampers adoption of the method. This paper presents a new procedure whose steepest step is finding the roots of a fourth order algebraic equation. It is shown that eight assembly configurations do exist for the adopted kinematic model of tripod joint, in the complex domain. The proposed procedure has a more direct approach than the previous one and is not affected by its singularities. Moreover, because no arbitrarily-selected movable reference frame is introduced, it leads to equations whose coefficients reveal the periodicity of the dependence of some parameters of the joint configuration on the angular position of one of the connected shafts. This means that some aspects of the tripod joint behavior can be hinted even without solving the equations. A numerical example shows application of the new procedure to a case study.

PHANTOM CHAINS TONTOR OF BIONIC OBJECT'S MOVEMENTS OF AUTOMATED SYSTEMS. Part 2

In our previous author’s works such properties of the phantom step as its length and curvature relative to the imaginary plane were considered. All these parameters were considered within clearly defined coordinates associated with the beginning and end of the step. Analytical and graphical models were obtained in this work, which are based on mathematical approaches to determining the spatiotemporal characteristics of the movement of objects taking into account the characteristics of phantom chains of bionic systems. Therefore, the application of the obtained models provides prospects for obtaining precise parameters of the movement of the final real technological object in the working space when performing complex kinematics of movements. At the same time, the dependences of the relationship between the volumes of technological abstract and their formed phantoms were investigated, which provide the opportunity to describe positive and negative technologies that are currently promising in modern production and the realities of the application of bionic automated equipment for various purposes. The results of our research can be used as a basis for obtaining new analytical models that determine the motion characteristics of dynamic abstract objects depending on the scope of application. This has the ultimate goal of being able to determine different types of motion of bionic objects, which is associated with automated systems in industry, medicine, implementation of technological processes, and scientific research. The prospects for further scientific research on this problem regarding the development of bionic automated systems, devices and objects are to continue the creation of analytical models of these objects with a view to their application in various areas and at different stages of the life cycle of technological objects, which improves production processes, as well as complex bionic systems for medical purposes.

Open‐set recognition of specific emitter based on complex‐valued convolutional neural network

AbstractSpecific emitter identification (SEI) plays an important role in enhancing physical layer transmission security. However, with the promotion of wireless technology, the environment is filled with a large number of unknown wireless signals. SEI will face a more challenging scenario referred to as “open set.” To cope with the above difficulties, an open‐set recognition (OSR) model based on complex‐valued convolutional neural network (CVCNN) is proposed. The CVCNN can adapt to IQ signal input and extract complex domain features. Furthermore, a novel inter‐class loss is proposed to effectively improve the classification performance. Finally, the classifier is designed based on the incremental approach. It can continuously learn new classes to achieve the recognition of multiple unknown emitters. The experiments show that compared with the real‐valued convolutional neural network and the single loss function, the accuracy is improved by 3.8% and 10%, respectively.

Top-Down Computational Design of Molecule Recognition Peptides (MRPs) for Enzyme-Peptide Self-Assembly and Chemiluminescent Biosensing.

The recognition of small molecules plays a crucial role in disease diagnosis, environmental assessment, and food safety. Currently, their recognition elements predominantly rely on antibodies and aptamers while suffering from a limitation of the complex screening process due to the low immunogenicity of small molecules. Herein, we present a top-down computational design strategy for molecule recognition peptides (MRPs) for enzyme-peptide self-assembly and chemiluminescence biosensing. Taking ochratoxin A (OTA) as an illustrative example, human serum albumin (HSA) was selected as the parental protein due to its high affinity for OTA binding. Through iterative computational simulations involving the binding domain of the HSA-OTA complex, our strategy identified a specific 15-mer MRP (RLKCASLKFGERAFK), which possesses excellent binding affinity (38.02 ± 1.24 nM) against OTA. Molecular dynamics simulations revealed that the 15-mer MRP unfolds into a flexible short chain with high affinity for OTA, but exhibits weak or no binding affinity with five structurally similar mycotoxins. Furthermore, we developed a novel enzyme-peptide self-assembly approach mediated by calcium(II) to obtain nanoflowers, which integrates both the recognition element (MRP) and the signal translator (enzyme) for chemiluminescence biosensing. The assembled nanoflowers allow MRPs to be directly utilized as a tracer for OTA biosensing without labeling or secondary antibodies. This computational-to-application approach offers a new route for small-molecule recognition.

A Solution-Structure B-Spline-Based Framework for Hybrid Boundary Problems on Implicit Domains

Solving partial differential equations (PDEs) on complex domains with hybrid boundary conditions presents significant challenges in numerical analysis. In this paper, we introduce a solution-structure-based framework that transforms non-homogeneous hybrid boundary problems into homogeneous ones, allowing exact conformity to the boundary conditions. By leveraging B-splines within the R-function method structure and adopting the stability principles of the WEB method, we construct a well-conditioned basis for numerical analysis. The framework is validated through a number of numerical examples of Poisson equations with hybrid boundary conditions on different implicit domains in two and three dimensions. The results reflect that the approach can achieve the optimal approximation order in solving hybrid problems.

Changes in the Content of microRNA775a and its Role in Post-Transcriptional Regulation of Targeted Genes in Corn Leaves under Hypoxia

Under the influence of hypoxia in the plant organism, the transcription of genes responsible for adaptation to stress caused by low oxygen levels changes. Changes in metabolic pathways under stress conditions may be regulated by microRNAs. It was found that the content of microRNA775A increases in corn leaves under the influence of hypoxia. The use of the fluorescent probe miR775A-ROX made it possible to establish an increase in the number of RNA-inducing silencing complexes (RISC), formed on the basis of microRNA775A, in maize leaves during the development of hypoxic stress. The results obtained indicate that microRNA775A is involved in the processes of adaptation of the body to hypoxic conditions by regulating the expression of target genes at the post-transcriptional level using the RNA interference mechanism.

Transition Metal as Template: Reversing the Synthesis Logic in the Preparation of Pincer Complexes.

The conventional synthetic approach to transition metal pincer complexes calls for the preparation of the tridentate pincer (pro)ligand first, with subsequent introduction of the transition metal center as the last step. This work demonstrates that the alternative synthetic logic, where the central main group element is introduced last, can be applicable to a number of PEP pincer complexes (E=B, Al, Si, P) derived from phosphinophenols and phosphinopyrroles. This approach obviates the need to isolate well-behaved propincer precursors, and instead relies on the formation of phosphine-metal adducts first, whose nature determines the stoichiometry of the needed main group reagent to complete the synthesis.

Hybrid RNA/DNA Concatemers and Self-Limited Complexes: Structure and Prospects for Therapeutic Applications.

The development of new convenient tools for the design of multicomponent nucleic acid (NA) complexes is one of the challenges in biomedicine and NA nanotechnology. In this paper, we analyzed the formation of hybrid RNA/DNA concatemers and self-limited complexes by a pair of oligonucleotides using UV melting, circular dichroism spectroscopy, and a gel shift assay. Effects of the size of the linker between duplex-forming segments of the oligonucleotides on complexes' shape and number of subunits were compared and systematized for RNA/DNA, DNA/DNA, and RNA/RNA assemblies. The data on complex types summarized here as heat maps offer a convenient tool for the design of NA constructs. General rules found for RNA/DNA, DNA/DNA, and RNA/RNA complexes allow not only designing complexes with desired structures but also purposefully transforming their geometry. The A-form of the double helix of the studied RNA/DNA complexes was confirmed by circular dichroism analysis. Moreover, we show for the first time efficient degradation of RNA in hybrid self-limited complexes by RNase H and imidazole. The results open up new prospects for the design of supramolecular complexes as tools for nanotechnology, nanomachinery, and biomedical applications.

A Crystalline NiX6 Complex.

High-valent nickel species are implicated as intermediates in industrially relevant chemical transformations and in the catalytic cycles of metalloenzymes. Although a small number of tetravalent NiX4 complexes have been crystallographically characterized, higher nickel valence states have not been identified. Here we report a stable, crystalline NiX6 complex, Ni(BeCp)6 (1; cyclopentadienyl anion (Cp)), formed by the insertion of zerovalent nickel into three Be-Be bonds. This 16-electron species features an inverted ligand field, is diamagnetic, and exhibits C3v symmetry, on account of the lifting of Ni 4p-orbital degeneracy in this molecular geometry. Single-crystal X-ray diffraction and quantum chemical calculations both reveal a toroidal band of electron density perpendicular to the C3 axis of the complex, which may be attributed to delocalized, multicenter aromatic NiBe6 bonding.