Interaction Of Molecules Research Articles

Structural Basis of Ultralow Capacitances at Metal-Nonaqueous Solution Interfaces.

Metal-nonaqueous solution interfaces, a key to many electrochemical technologies, including lithium metal batteries, are much less understood than their aqueous counterparts. Herein, on several metal-nonaqueous solution interfaces, we observe capacitances that are 2 orders of magnitude lower than the usual double-layer capacitance. Combining electrochemical impedance spectroscopy, atomic force microscopy, and physical modeling, we ascribe the ultralow capacitance to an interfacial layer of 10-100 nm above the metal surface. This nanometric layer has a Young's modulus around 2 MPa, which is much softer than typical solid-electrolyte interphase films. In addition, its AC ionic conductivity is 4-to-5 orders of magnitude lower than that of the bulk electrolyte. The temperature dependencies of the AC ionic conductivity and thickness suggest that the soft layer is formed from metal-mediated, dipole-dipole interactions of the nonaqueous solvent molecules. The observed soft layer opens new avenues of modulating battery performance via rational design of ion transport, (de)solvation, and charge transfer in this interfacial region.

Computational design of highly signalling-active membrane receptors through solvent-mediated allosteric networks.

Protein catalysis and allostery require the atomic-level orchestration and motion of residues and ligand, solvent and protein effector molecules. However, the ability to design protein activity through precise protein-solvent cooperative interactions has not yet been demonstrated. Here we report the design of 14 membrane receptors that catalyse G protein nucleotide exchange through diverse engineered allosteric pathways mediated by cooperative networks of intraprotein, protein-ligand and -solvent molecule interactions. Consistent with predictions, the designed protein activities correlated well with the level of plasticity of the networks at flexible transmembrane helical interfaces. Several designs displayed considerably enhanced thermostability and activity compared with related natural receptors. The most stable and active variant crystallized in an unforeseen signalling-active conformation, in excellent agreement with the design models. The allosteric network topologies of the best designs bear limited similarity to those of natural receptors and reveal an allosteric interaction space larger than previously inferred from natural proteins. The approach should prove useful for engineering proteins with novel complex protein binding, catalytic and signalling activities.

Effective Factors for Optimizing Metallophthalocyanine-Based Optoelectronic Devices: Surface—Molecule Interactions

As a promising structure for fabricating inorganic—organic-based optoelectronic devices, metal—metallophthalocyanine (MPc) hybrid layers are highly important to be considered. The efficient charge injection and transport across the metal/MPc interface are strictly dependent on the precise molecular orientation of the MPcs. Therefore, the efficiency of MPc-based optoelectronic devices strictly depends on the adsorption and orientation of the organic MPc on the inorganic metal substrate. The current review aims to explore the effect of the terminated atoms or surface atoms as an internal stimulus on molecular adsorption and orientation. Here, we investigate the adsorption of five different phthalocyanine molecules—free-based phthalocyanine (H2Pc), copper phthalocyanine (CuPc), iron phthalocyanine (FePc), cobalt phthalocyanine (CoPc), vanadyl phthalocyanine (VOPc)—on three metallic substrates: gold (Au), silver (Ag), and copper (Cu). This topic can guide new researchers to find out how molecular adsorbance and orientation determine the electronic structure by considering the surface–molecule interactions.

Dielectric Relaxation Study of Binary Mixture Using Kirkwood Correlation Factor - Time Domain Reflectometry Technique

We have reported, the results of dielectric parameters for Diethylene glycol Monomethyl ether (DGME) -chlorobenzene (CB) binary mixture over the entire range of concentrations in the frequency range from 10MHz-20GHz at different temperatures by time domain reflectometry (TDR) technique. Dielectric parameters viz. dielectric constant (_0 ), relaxation time (τ in ps) were obtained from complex permittivity spectra using nonlinear least squares fit method. Using these parameters excess permittivity (〖_0〗^E ), excess inverse relaxation time(〖1⁄〗^E ), Kirkwood correlation factor 〖(g〗^eff) were determined. On the basis of these parameters, intermolecular interaction and dynamics of molecules at molecular level are predicated. The Kirkwood correlation factor is used to understand the molecular orientation in the mixture. In this paper, the given data provide information regarding solute-solvent interaction.

Atomic-Level Stoichiometry Control of Ferroelectric HfxZryOz Thin Films by Understanding Molecular-Level Chemical Physical Reactions.

HfO2-based thin films have garnered significant interest for integrating robust ferroelectricity into next-generation memory and logic chips, owing to their applicability with modern Si device technology. While numerous studies have focused on enhancing ferroelectric properties and understanding their fundamentals, the fabrication of ultrathin HfO2-based ferroelectric films has seldom been reported. This study presents the concept of atomic-level stoichiometry control of ferroelectric HfxZryOz films by examining the molecular-level interactions of precursor molecules in the atomic layer deposition (ALD) process through theoretical calculations. Atomic layer modulation (ALM) employs sequential precursor pulses, and the stoichiometries of HfxZryOz films are determined by the chemical and physical reactions predicted by theoretical simulations. The HfxZryOz ALM films demonstrate superior crystallinity and ferroelectricity compared to conventional HfxZryOz ALD films, with large polarization values reaching 2Pr = 48.8 μC/cm2 at a thickness of 4.5 nm. Because the ALM concept combines experimental and theoretical approaches, it can be applied to other applications that require multicomponent thin films with atomic-level stoichiometry control.

Synthesis, crystal structure, hirshfeld study, DFT analysis, molecular docking study, antimicrobial activity of β-enaminonitrile bearing 1H-pyran

3-Amino-1-(3,4-dimethoxyphenyl)-8-methoxy-1H-benzo[f]chromene-2-carbonitrile (3-ABC, 4) was prepared and affirmed through the spectral data and single crystal X-rays diffraction. The molecule spatial attributes were revealed by the three-dimensional Hirshfeld surface, which is validated by comprehensive statistical evaluations. The key interactions that contribute to the crystal's stability and properties, such as π–π stacking and H⋯X contacts, were highlighted. The dominant forces in the crystal were explained by energy framework calculations and density functional theory analyses, which also show the geometric optimization aspects and molecular reactivity indicators. The focus is on the investigation of frontier molecular orbitals, aromaticity, and π–π stacking abilities. The research concluded by identifying electron density distributions, aromatic features, and possible reactivity sites, offering a complete picture of the compound's structural and electronic landscape. Compound 4 was screened for its antimicrobial capability against three Gram-positive, three Gram-negative bacteria, and three fungi, utilizing the reference antibiotic drug Ampicillin, Gentamycin, and Ketoconazole. Compound 4 exhibited favorable antimicrobial activities that were lower/resembled the reference antimicrobial agents with an IZ range of 15–31 mm. In addition, MIC, MBC, and MFC were assessed and screened for the target molecule 4, unveiling its revealing antimicrobial activities. Lastly, the molecular docking evaluation was implemented for the molecules interaction with the DHFR protein. The compounds exhibit significant interactions with the EGFR protein's active site.

The Proteomic Landscape of the Coronary Accessible Heart Cell Surfaceome.

Cell surface proteins (surfaceome) represent key signalling and interaction molecules for therapeutic targeting, biomarker profiling and cellular phenotyping in physiological and pathological states. Here, we employed coronary artery perfusion with membrane-impermeant biotin to label and capture the surface-accessible proteome in the neo-native (intact) heart. Using quantitative proteomics, we identified 701 heart cell surfaceome accessible by the coronary artery, including receptors, cell surface enzymes, adhesion and junctional molecules. This surfaceome comprises to 216 cardiac cell-specific surface proteins, including 29 proteins reported in cardiomyocytes (CXADR, CACNA1C), 12 in cardiac fibroblasts (ITGA8, COL3A1) and 63 in multiple cardiac cell types (ICAM1, SLC3A2, CDH2). Further, this surfaceome comprises to 53 proteins enriched in heart tissue compared to other tissues in humans and implicated in cardiac cell signalling networks involving cardiomyopathy (CDH2, DTNA, PTKP2, SNTA1, CAM, K2D/B), cardiac muscle contraction and development (ENG, SNTA1, SGCG, MYPN), calcium ion binding (SGCA, MASP1, THBS4, FBLN2, GSN) and cell metabolism (SDHA, NUDFS1, GYS1, ACO2, IDH2). This method offers a powerful tool for dissecting the molecular landscape of the coronary artery accessible heart cell surfaceome, its role in maintaining cardiac and vascular function, and potential molecular leads for studying cardiac cell interactions and systemic delivery to the neo-native heart.

Single-molecule analysis of PARP1-G-quadruplex interaction.

The human genome contains numerous repetitive nucleotide sequences that display a propensity to fold into non-canonical DNA structures including G-quadruplexes (G4s). G4s have both positive and negative impacts on various aspects of nucleic acid metabolism including DNA replication, DNA repair and RNA transcription. Poly (ADP-ribose) polymerase (PARP1), an important anticancer drug target, has been recently shown to bind a subset of G4s, and to undergo auto-PARylation. The mechanism of this interaction, however, is poorly understood. Utilizing Mass Photometry (MP) and single-molecule total internal reflection fluorescence microscopy (smTIRFM), we demonstrate that PARP1 dynamically interacts with G4s with a 1:1 stoichiometry. Interaction of a single PARP1 molecule with nicked DNA or DNA containing G4 and a primer-template junction is sufficient to activate robust auto-PARylation resulting in the addition of poly (ADP-ribose) chains with molecular weight of several hundred kDa. Pharmacological PARP inhibitors EB-47, Olaparib and Veliparib differently affect PARP1 retention on G4-containing DNA compared to nicked DNA.

Lipid Antigens: Revealing the Hidden Players in Adaptive Immune Responses.

Traditionally, research on the adaptive immune system has focused on protein antigens, but emerging evidence has underscored the essential role of lipid antigens in immune modulation. Lipid antigens are presented by CD1 molecules and activate invariant natural killer T (iNKT) cells and group 1 CD1-restricted T cells, whereby they impact immune responses to pathogens and tumors. Recent advances in mass spectrometry, imaging techniques, and lipidomics have revolutionized the identification and characterization of lipid antigens and enhanced our understanding of their structural diversity and functional significance. These advancements have paved the way for lipid-based vaccines and immunotherapies through the application of nanoparticles and synthetic lipid antigens designed to boost immune responses against cancers and infectious diseases. Lipid trafficking, CD1 molecule interactions, and the immune system's response to lipid antigens are yet to be completely understood, particularly in the context of autoimmunity and microbial infections. In the years to come, continued research efforts are needed to uncover its underlying biological mechanisms and to exploit the full potential of therapies directed against lipid antigens.

Calixarene-Based Magnetic Nanosponge Decorating AgNPs for Rapid and Selective Surface-Enhanced Raman Scattering Analysis in Complex Samples.

Rapid and accurate analysis of trace targets in complex samples remains an enormous challenge. Herein, the calix[x]arene-based magnetic cross-linked polymer decorating AgNPs, abbreviated Fe3O4-CXA-DAB@AgNPs nanosponge, was developed for fast surface-enhanced Raman scattering (SERS) analysis in complex samples. The Fe3O4-CXA-DAB@AgNPs nanosponge surface was constructed by high-density CXA units with special cavity size and structure, which could selectively recognize and enrich targets to the sensing surface by the host-guest effect and molecule interactions. The Fe3O4-C4A-DAB@AgNPs showed significant SERS enhancement to choline chloride (ChCl) and succinylcholine chloride (SCC) with an enhancement factor (EF) of 2.9 × 107 and 6.3 × 106, respectively. The Fe3O4-C6A-DAB@AgNPs exhibited high SERS activity to thiabendazole with an EF of 7.6 × 106. Introducing recognition-enrichment-separation with SERS sensing, the nanosponge could achieve rapid enrichment sensing of targets within 6-8 min. Also, the Fe3O4-CXA-DAB@AgNPs nanosponge exhibited good stability for rapid detection with relative standard deviations less than 6.3% for intra-batch (n = 25) and 6.8% for inter-batch (n = 15). Benefiting from these merits, the Fe3O4-C4A-DAB@AgNPs was employed for fast SERS analysis of ChCl and SCC in real samples. The limits of detection were 0.62 μg/L for ChCl and 2.0 μg/L for SCC. ChCl was found in feed sample with recoveries of 85.3-108%, and SCC was found in serum samples with recoveries of 85.7-111%. The methods provided a significant reference for the selective analysis of targets by regulating the calix[x]arenes cavity size to satisfy different molecules and rapid quantification strategy by integrating sample pretreatment technology with sensing detection all-in-one.

Nanoclusters of Guest Molecules in Lipid Rafts of a Model Membrane Revealed by Pulsed Dipolar EPR Spectroscopy.

Plasma membranes are known to segregate into liquid disordered and ordered nanoscale phases, the latter being called lipid rafts. The structure, lipid composition, and function of lipid rafts have been the subject of numerous studies using a variety of experimental and computational methods. Double electron-electron resonance (DEER, also known as PELDOR) is a member of the pulsed dipole EPR spectroscopy (PDS) family of techniques, allowing the study of nanoscale distances between spin-labeled molecules. To extend the possibilities of DEER in the study of molecule clusters, its joint application with the simple two-pulse electron spin echo (2p ESE) method is carried out here. We studied spin-labeled ibuprofen (ibuprofen-SL) diluted in bilayers composed of equimolar mixtures of dioleoyl-glycero-phosphocholine (DOPC) and dipalmitoyl-glycero-phosphocholine (DPPC) phospholipids, with added cholesterol, a system known as a raft-mimicking. The data obtained show that ibuprofen-SL molecules in this system form isolated clusters of about 4 nm in size, containing 6-8 molecules spaced at least 1.3 nm apart. These results indicate the interaction of ibuprofen-SL molecules with lipid rafts, for which the existence of nanoscale substructures at the boundaries of which adsorption of these molecules occurs is suggested.

Caffeine as an Active Molecule in Cosmetic Products for Hair Loss: Its Mechanisms of Action in the Context of Hair Physiology and Pathology.

Caffeine has recently attracted attention as a potential remedy for hair loss. In the present review, we look into the molecule's possible mechanisms of action and pharmacodynamics. At the molecular level, it appears that the physiological effects of caffeine are mainly due to the molecule's interaction with adenosine pathways which leads to an increase in cAMP level and the stimulation of metabolic activity in the hair follicle. Moreover, caffeine also acts as an antioxidant and may prevent degenerative processes. While the intact stratum corneum seems virtually impenetrable to caffeine and a range of physical and chemical methods have been proposed to facilitate its penetration, hair follicles seem to be both a main entry route into the skin and target structures for caffeine at the same time. Caffeine readily forms bonds with water and other molecules which may influence its bioavailability and should be taken into account when engineering future hair products. The results of clinical studies published so far seem promising; however, the majority of the studies of caffeine-based hair loss products offer a very low level of evidence due to considerable flaws in study designs. Nevertheless, the metabolic activity of caffeine and its ability to enter and accumulate in the hair follicles combined with the results of available clinical trials seem to indicate that caffeine could indeed prove as an effective and safe option in the management of hair loss.

Circ-PAN3 facilitates hepatocellular carcinoma growth via sponging miR-153 and upregulating cyclin D1.

Circular RNAs (circRNAs) play a pivotal role in the development and advancement of various cancer types. However, the involvement of circ-PAN3 in hepatocellular carcinoma (HCC) is not well understood. To shed light on this, we conducted a comprehensive study through biochemistry, cell biology, molecular biology, and bioinformatics techniques to investigate the role of circ-PAN3 and its associated pathway in the progression of HCC. Cell Counting Kit-8 (CCK-8) assay and colony formation assay were utilized to evaluate cell proliferation; Quantitative real-time PCR (RT-qPCR) and Western blot were adopted for assessing mRNA and protein expression; Annexin V/propidium iodide (PI) staining was applied to detect cellular apoptosis; CircInteractome and Targetscan databases were searched to predict potential targets of circRNA and miRNA; Luciferase reporter assay and RNA pull-down assay were performed to examine the interaction of RNA molecules. Our findings revealed a significant increase in circ-PAN3 expression in HCC clinical specimens, which correlated with a poor survival rate in HCC patients. Knockdown of circ-PAN3 resulted in impaired cell proliferation, reduced cell survival, and inhibited tumorigenesis of HCC in vivo. Further analysis demonstrated that circ-PAN3 could serve as a sponge for miR-153, leading to a decrease in its expression level. This in turn upregulated cyclin D1 and ultimately promoted the proliferation of HCC cells. Additionally, overexpression of cyclin D1 mitigated the inhibitory effect on HCC proliferation induced by circ-PAN3 knockdown. Our study highlights the presence of a novel circ-PAN3/miR-153/cyclin D1 regulatory axis that plays a crucial role in the progression of HCC.

Genetic polymorphisms and uveitis

Uveitis is a multifactorial disease, originating from the interplay between our genes, the environment and stochastic factors.1 In contrast, only a handful of exceptional uveitic entities are monogenic.To understand the immunogenetics of uveitis, one must understand the concept of multifactorial disease. These diseases are characterized by multigenic involvement, with any one variant allele being neither necessary nor sufficient for disease initiation. Rather, it is the combination of multiple variants in multiple genes, which all increase the susceptibility of an individual to develop a particular disease. The second concept is that of the environmental trigger, such as an infection or exposure to a drug, which triggers the disease in genetically susceptible individuals. Stochastic factors may also play a role in disease genesis.2In the context of uveitis, genetic polymorphisms in genes of the class I major histocompatibility complex (MHC), such as HLA‐A, or HLA‐B, are associated with common non‐infectious uveitides (NIU) like HLA‐B27‐associated acute anterior uveitis (AAU), Behçet's disease, and Birdshot retinochoroiditis (BRC).3Specifically, HLA‐B27 carrier frequency in the Caucasian US population is around 7%, while it is present in approximately 50% of patients who develop AAU, and 90% of patients who develop ankylosing spondylitis (AS). This represents a relative risk (RR) for carriers of HLA‐B27 of around 8 for developing AAU,4 and around 50 to 100 for developing AS.5HLA‐B51 carrier frequency in populations along the Silk Road is around 10‐30%,6 compared to 50‐80% in Behçet's disease patients, conferring a RR of 5‐10 to develop the disease.7The third major HLA polymorphism associated with uveitis is HLA‐A29, whose carrier frequency in the Western European population is reported to be 5‐10%,8 compared to the 97.5% in BRC patients,3,9 conferring an astronomically high RR of 50‐224 for developing BRC in carriers of HLA‐A29 versus non‐carriers.4,9 BRC is actually the immunological disease with the strongest HLA association ever described.4Some weaker HLA associations have been reported with other NIU entities, such as HLA‐DR4/HLA‐DRB1*04 with Vogt‐Koyanagi‐Harada disease,10,11 HLA‐DRB1*04:05, HLA‐DQB1*04:01, and the DRB1*04:05‐DQB1*04:01 haplotype with sympathetic ophthalmia,12 or HLA‐DRB1*15:01 and the IL2‐RA gene polymorphism rs2104286 A>G with multiple sclerosis‐associated uveitis.13In addition to HLA typing and polymorphisms, there has been much interest in evaluating single‐nucleotide polymorphisms of various mediators of the immune response. For example, polymorphisms in the ERAP1, ERAP2 or IL‐23R genes, have been described in association with uveitis.14,15 Many other associations have been described.That being said, the reason why these genetic associations predispose individuals to immunological disease remains a mystery. Some of the hypotheses put forward over the years include interaction of the HLA molecules with the gut microbiome resulting in increased gut permeability and leakage of bacterial products in the circulation, while others think molecular mimicry acting as a trigger for activation of autoreactive lymphocytes specific for the neuroretina might play a role.16–18In summary, genetic polymorphisms play a major role in the immunogenetics of some prevalent NIU entities. These may help shape our understanding of pathophysiological mechanisms in the future.

Nanoring interactions with bio-relevant molecule: A quantum chemical approach to C18 and B9N9 systems.

This study investigates the interaction of a synthetic bio-relevant molecule with C18 and B9N9 nanorings, exploring their potential applications in sensing and drug delivery. Employing Density Functional Theory (DFT) at the ωB97XD level with the 6-31G(d,p) basis set, we computed the adsorption and electronic properties of the resulting nanocomplexes. A total of ten distinct configurations were identified for the interactions, with adsorption energies ranging from -6.75 to -12.62kcal/mol for the C18@target molecule and -9.01 to -18.46kcal/mol for the B9N9@target molecule. Notably, alterations in the energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) upon interaction suggest an enhancement in electrical conductivity. The effect of aqueous media was also examined, revealing an increase of approximately 2.0 Debye in the dipole moments of the most stable nanocomplexes. Additional analyses, including reduced density gradient (RDG), UV-Vis spectroscopy, and Quantum Theory of Atoms in Molecules (QTAIM), were conducted in both gas and aqueous phases. Our findings indicate that C18 and B9N9 nanorings exhibit significant promise as candidates for drug delivery and sensing applications, particularly due to their enhanced electronic properties upon interaction with the bio-relevant molecule.

DFT study of Pd-doped ZrCl2: a promising solution for dissolved gas molecule analysis in transformer oil.

The application of 2D materials for detecting dissolved gas molecules is essential for identifying faults in oil-immersed transformers. This study investigates the adsorption properties of ZrCl2 monolayer (ML) and Pd-doped ZrCl2 ML with six gas molecules (CO, CO2, CH4, C2H2, C2H4, C2H6) in transformer oil using the density functional approach. The adsorption behaviour was analysed by calculating and comparing the structures, charge transfer and adsorption energies. Additionally, the chemical interaction and electronic properties of gas molecules on ZrCl2/Pd-ZrCl2 ML are examined through PDOS (projected density of states), band structure, recovery time and work function. The pristine ZrCl2 ML has a weak interaction for all six gas molecules, whereas Pd doping on ZrCl2 ML has considerably increased the adsorption strength for C2H4, CO and C2H2 gases. The results presented in this paper offer a theoretical framework for utilizing Pd-ZrCl2 ML in monitoring transformer performance and gas detection.

A new perspective on apoptosis: Its impact on meat and organoleptic quality in different animals.

Apoptosis serves as the initial phase in the conversion of muscle to meat, driving key biochemical and morphological changes in the postmortem muscle. To effectively improve and control meat quality across different animal species, it is important to gather more information on the mechanisms by which apoptotic potential, mediated through the interaction of apoptosis-related molecules, influences meat quality variations. The apoptotic potential, determined by the balance between apoptotic and anti-apoptotic molecules, such as Ca2+, cytochrome c, caspases, and heat shock proteins, varies among different species. A moderate to rapid apoptotic rate can improve textural properties in species with a higher proportion of type I fibers, such as cattle. In contrast, in species with a predominance of type IIB fibers, such as pork and poultry, rapid apoptosis can lead to undesirable quality traits. Therefore, understanding these species-specific apoptotic responses is critical for improving and maintaining meat quality across various species.

Water-mediated cytosine self-assembly in infrared perspective.

Self-assembly plays a crucial role in the formation and allosteric processes of many biomolecules, water molecules can affect these processes. Cytosine (Cyt) has excellent self-assembly ability, forming a flat and ordered structure through hydrogen bonds (HBs) in the presence of water molecules. However, the vibration dynamics and interaction mechanism of water induced Cyt self-assembly are still unclear. In this work, infrared spectroscopy techniques, combined with density functional theory (DFT) theoretical calculations, were employed to investigate the vibrational characteristics and interactions of water molecule mediated self-assembly of Cyt and its reverse process. The results indicate that the induction of Cyt self-assembly by water molecules has differential effects on the various vibrational modes of the Cyt molecule. Multi-view infrared spectroscopy provides a powerful tool for the characterization of biomolecules in situ. This study will contribute to a deeper understanding and application of nucleic acid biological nanostructures.

Novel Microwave‐Assisted Combustion Synthesis of AlFeO3 for Sonodegradation of Pollutants; Quantum Simulation of Adsorption on AlFeO3 Using Monte Carlo Adsorption Locator

AbstractThis study introduces a novel microwave‐assisted combustion method for synthesizing AlFeO3 perovskite, a promising catalyst for environmental remediation. The synthesized perovskite was characterized using various techniques: FT‐IR, XRD, XRF, BET, VSM, EDAX, DRS, Raman, and FE‐SEM. The optimal operating conditions for Rhodamine B(RhB), Remazol Golden Yellow RNL (RGY), and α‐lipoic acid (ALA) ultrasonic degradation processes were established (30, 15, and 20 mg/L), (5, 5, and 9), and (1.00, 1.75, and 1.50 g/L), respectively. The addition of oxidants like H2O2 and K2S2O8 significantly enhanced the degradation efficiency. Furthermore, the antibacterial properties of the catalyst were assessed. Computational simulations using Monte Carlo adsorption locator were conducted to investigate pollutant molecules adsorption, orientation, and interaction energy on the catalyst surface, revealing spontaneous adsorption with negative binding energies. This study provides valuable insights into the potential application of AlFeO3 perovskite as an effective catalyst for environmental remediation.

Unraveling the microRNAs Involved in Fasciolosis: Master Regulators of the Host-Parasite Crosstalk.

Fasciolosis is a neglected tropical disease caused by helminth parasites of the genus Fasciola spp., including Fasciola hepatica (F. hepatica) and Fasciola gigantica (F. gigantica), being a major zoonotic problem of human and animal health. Its control with antihelminthics is becoming ineffective due to the increase in parasite resistance. Developing new therapeutic protocols is crucial to a deeper knowledge of the molecular bases in the host-parasite interactions. The high-throughput omics technologies have dramatically provided unprecedented insights into the complexity of the molecular host-parasite crosstalk. MicroRNAs (miRNAs) are key players as critical regulators in numerous biological processes, modifying the gene expression of cells by degradation of messenger RNA (mRNA), regulating transcription and translation functions, protein positioning, cell cycle integrity, differentiation and apoptosis. The large-scale exploration of miRNAs, including the miRNome, has offered great scientific knowledge of steps in fasciolosis, further scrutinizing the pathogenesis, the growth and development of their strains and their interaction with the host for the survival of the different parasite stages. This review compiles the updated knowledge related to miRNAs involved in fasciolosis and the generated miRNome, highlighting the importance of these key molecules in the host-parasite interactions and the pathogenesis of Fasciola spp. directing towards the development of new biotherapeutic protocols for the control of fasciolosis.