Solution Structure Research Articles

An experimental and numerical analysis of slit plate as replaceable fuse in moment resisting frame

This study contributes to the ongoing progress in developing cost-effective structural fuse solutions for steel structures, emphasizing enhanced strength, ductility, and energy dissipation capacity. These fuses are strategically placed to coincide with plastic hinge locations under lateral load. During minor seismic events, they provide substantial rotational stiffness, while during medium to large earthquakes, they leverage their post-yield strength for effective energy dissipation. Three varieties of beam-column sub-assemblages viz. single oval slit damper fuse (SOSDF), dual oval slit damper fuse (DOSDF) and single elliptical slit damper fuse (SESDF), featuring advanced replaceable fuses were evaluated using both experimental and numerical analyses under quasi-static loading conditions. The seismic performance of these specimens was comprehensively assessed, focusing on characteristics such as moment-carrying capacity concerning rotation, energy dissipation, ductility, and failure modes. The findings indicate that all specimens exhibited stable hysteresis, with connections utilizing SESDF and DOSDF showing slightly higher moment carrying capacities (19 % and 10 %, respectively) compared to those employing SOSDF. According to AISC 2016 standards, all three connections were classified as full-strength connections. Moreover, the ductility of specimens incorporating SESDF was notably higher as 3.5, marking a 28 % and 26 % increase over the ductility of SOSDF and DOSDF connections, respectively. In major seismic events, damage was confined solely to the fuse components, with no damage observed in the beam and column. Detailed finite element analysis using ABAQUS CAE further corroborated these findings, demonstrating good alignment between experimental and simulated results.

Solvent-Activated Transformation of Polymer Configurations for Advancing the Interfacial Reliability of Perovskite Photovoltaics.

Organic materials have been widely used as the charge transport layers in perovskite solar cells due to their structural versatility and solution processability. However, their low surface energy usually causes unsatisfactory thin-film wettability in contact with the perovskite solution, which limits the interfacial performance of the photovoltaic devices. Although solvent post-treatment could occasionally regulate the wetting behavior of organic films, the mechanism of the solid-liquid interaction is still unclear. Here, we present evidence of a possible correlation between the solvent and the wettability of a conventional polymer, poly[bis(4-phenyl) (2,4,6-trimethylphenyl) amine] (PTAA), and reveal the critical roles of Hansen solubility parameters (HSPs) of solvents in wetting mechanisms. Our results suggest that the conventional solvent N,N-dimethylformamide (DMF) improves the wettability of PTAA by the morphological disruption mechanism but negatively impacts interfacial charge collection and stability. In contrast, 2-methoxyethanol (2-Me) with an appropriate HSP value induces the transformation of the PTAA configuration in an orderly manner, which simultaneously improves the wetting property and maintains the film topography. After careful optimization of the surface conformation of the PTAA film, both perovskite crystallization and interfacial compatibility have been enhanced. Benefiting from superior interfacial properties, the perovskite solar cells based on 2-Me deliver a champion efficiency of 24.15% compared to 21.4% for DMF-based ones. More encouragingly, the use of 2-Me minimizes the perovskite buried interfacial defects, enabling the unencapsulated devices to maintain about 95% of their initial efficiencies after light illumination for 1100 h. The present study demonstrates the high effectiveness of solvent-polymer interaction for adjusting interfacial properties and strengthening the robustness of perovskite solar cells.

Diffusion and structure of propylene carbonate-metal salt electrolyte solutions for post-lithium-ion batteries: From experiment to simulation.

The diffusion of cations in organic solvent solutions is important for the performance of metal-ion batteries. In this article, pulsed field gradient nuclear magnetic resonance experiments and fully atomistic molecular dynamic simulations were employed to study the temperature-dependent diffusive behavior of various liquid electrolytes representing 1M propylene carbonate solutions of metal salts with bis(trifluoromethylsulfonyl)imide (TFSI-) or hexafluorophosphate (PF6-) anions commonly used in lithium-ion batteries and beyond. The experimental studies revealed the temperature dependence of the diffusion coefficients for the propylene carbonate (PC) solvent and for the anions following an Arrhenius type of behavior. It was observed that the PC molecules are the faster species. For the monovalent cations (Li+, Na+, K+), the PC solvent diffusion was enhanced as the cation size increased, while for the divalent cations (Mg2+, Ca2+, Sr2+, Ba2+), the opposite trend was observed, i.e., the diffusion coefficients decreased as the cation size increased. The anion diffusion in LiTFSI and NaTFSI solutions was found to be similar, while in electrolytes with divalent cations, a decrease in anion diffusion with increasing cation size was observed. It was shown that non-polarizable charge-scaled force fields could correspond perfectly to the experimental values of the anion and PC solvent diffusion coefficients in salt solutions of both monovalent (Li+, Na+, K+) and divalent (Mg2+, Ca2+, Sr2+, Ba2+) cations at a range of operational temperatures. Finally, after calculating the radial distribution functions between cations, anions, and solvent molecules, the increase in the PC diffusion coefficient established with the increase in cation size for monovalent cations was clearly explained by the large hydration shell of small Li+ cations, due to their strong interaction with the PC solvent. In solutions with larger monovalent cations, such as Na+, and with a smaller solvation shell of PC, the PC diffusion is faster due to more liberated solvent molecules. In the salt solutions with divalent cations, both the anion and the PC diffusion coefficients decreased as the cation size increased due to an enhanced cation-anion coordination, which was accompanied by an increase in the amount of PC in the cation solvation shell due to the presence of anions.

Structure and Physicochemical Properties of Solutions of Lithium Polysulfides in Tetrasolvate of Lithium Perchlorate with Sulfolane Molecular Dynamics Modeling.

Lithium polysulfides are intermediate products formed during the discharge and charge of lithium-sulfur batteries and have good solubility in electrolyte solutions. Therefore, the properties and structure of solutions of lithium polysulfides in electrolyte solutions affect the energy characteristics of the lithium-sulfur battery. In this work, the structure and physicochemical properties (density, ionic conductivity, and self-diffusion coefficients) of solutions of lithium disulfide, tetrasulfide, and octasulfide in lithium perchlorate tetrasolvate with sulfolane in a wide range of concentrations (0.2-12 M) were studied using the molecular dynamics method. With increasing concentrations of lithium polysulfides, the proportion of sulfur atoms in the coordination sphere of the lithium cation increases and the proportion of sulfolane molecules decreases. It has been established that the ability of the polysulfide anion to act as a bridging ligand leads to the formation of clusters, including lithium perchlorate, lithium polysulfides, and sulfolane. It has been shown that the tendency to form clusters increases with an increasing number of sulfur atoms in the polysulfide anion. At high concentrations of lithium polysulfides, regardless of their size, the electrolyte system becomes a single cluster. With an increase in the concentration of lithium polysulfides in the electrolyte system, its density increases and the ionic conductivity and diffusion coefficients of the system components decrease.

Polymorph‐Dependent Multi‐Level Supramolecular Self‐Assembly and Local Charge Transport of a Conjugated Polymer in Solution and Solid States

AbstractThe polymorphic behavior of conjugated polymers enables tunable optoelectronic properties, but their transport mechanism remains elusive due to the inherent complexity and uncontrollability of polymorphic self‐assembly behaviors and electronic processes at various length scales, alongside the ambiguous relationship between solution and solid states. Herein, precise control of multi‐level supramolecular self‐assembly of a polymorphic conjugated polymer, N‐PDPP4T‐HD with two distinct semi‐crystalline aggregated phases (β1 and β2) via solvent engineering is demonstrated. β1 forms 1D worm‐like nanostructures in solution, whereas β2 generates 2D nanoscale lamellar configuration, confirmed by experimental observation and molecular dynamic simulation. Such solution‐state features are inherited in the solid state (1D nanofibers for β1 and 2D granular‐like structures for β2). X‐ray characterizations reveal larger crystalline domains on the nanometer scale, reduced π‐stacking distance on the Ångstrom scale, and diminished paracrystallinity disorder for solid‐state β2. Going beyond conventional DC transistor characterizations, contact‐free ultrafast terahertz spectroscopy to unveil AC short‐range, intrinsic transport properties is employed. Longer charge carrier scattering time and thus intrinsic mobility of β2 result in threefold higher short‐range photoconductivity than β1. This work establishes the “solution structure – solid structure – local transport” relation in polymorphic conjugated polymers and provides new opportunities for high‐performance plastic electronic devices.

Restoration of Strength in Polyamide Woven Glass Fiber Organosheets by Hot Pressing: Case Study of Impact and Compression after Impact

Thermoplastic composite organosheets (OSs) are increasingly recognized as a viable solution for automotive and aerospace structures, offering a range of benefits including cost-effectiveness through high-rate production, lightweight design, impact resistance, formability, and recyclability. This study examines the impact response, post-impact strength evaluation, and hot-pressing repair effectiveness of woven glass fiber nylon composite OSs across varying impact energy levels. Experimental investigations involved subjecting composite specimens to impact at varying energy levels using a drop-tower test rig, followed by compression-after-impact (CAI) tests. The results underscore the exceptional damage tolerance and improved residual compressive strength of the OSs compared to traditional thermoset composites. This enhancement was primarily attributed to the matrix’s ductility, which mitigated transverse crack propagation and significantly increased the amount of absorbed energy. To mitigate impact-induced damage, a localized hot-pressing repair approach was developed. This allowed to restore the post-impact strength of the OSs to pristine levels for impact energies below 40 J and by 83.6% for higher impact energies, when OS perforation was observed. The measured levels of post-repair strength demonstrate a successful restoration of OS strength over a wide range of impact energies, and despite limitations in achieving complete strength recovery above 40 J, hot-pressing repair emerges as a promising strategy for ensuring the longevity of thermoplastic composites through repairability.

Unexpected Formation of 6-(1H-Benzo[d]imidazol-2-yl)-1-phenyl-hexan-1-one and Its Structure in Solution and Solid State Analyzed in the Context of Tautomerism

Unexpected Formation of 6-(1H-Benzo[d]imidazol-2-yl)-1-phenyl-hexan-1-one and Its Structure in Solution and Solid State Analyzed in the Context of Tautomerism

Investigation of the complex dynamical structure of bifurcation and dark soliton solutions to fractional generalized double [formula omitted]-Gordon equation

In the current research work, the classical wave equation is combined with a nonlinear sinh source term in the sinh-Gordon equation. It has been used in several scientific domains such as differential geometry theory, integrable quantum field theory, kink dynamics, and statistical mechanics. It makes more comprehensible the dynamics of strings and multi-strings in the constant curvature space. The current study has three main objectives. Examine the governing model to get novel solutions by employing the modified Kudryashov technique. Then compare it with the numerical technique of modified variational iteration method (MVIM) to calculate the error terms. Furthermore, employing bifurcation theory to produce a dynamical system. Additionally, use the dynamical system’s sensitivity analysis to investigate the model’s sensitivity. At last, for the validation of acquired results, the cryptography technique of novel image encryption and decryption is used. The research is greatly enhanced by the presentation of thorough 2D and 3D phase portraits. The field of mathematics and other sciences will benefit from these discoveries.

Optimization of the deep extreme learning machine using the seagull algorithm for state of health prediction of lithium batteries

Abstract The ability to predict the State of Health (SOH) of lithium-ion batteries with precision is essential for guaranteeing their safe and consistent performance. Notwithstanding, measuring internal resistance and capacity accurately during live battery operation is an ongoing challenge. Existing SOH prediction models often fall short in terms of precision. To tackle this issue, a novel SOH estimation technique for lithium-ion batteries has been proposed. This technique uses electrochemical impedance spectroscopy and the Seagull Optimization Algorithm simultaneously with a Deep Extreme Learning Machine (SOA-DELM). The impedance characteristics of lithium-ion batteries are taken into account, with real and imaginary components and the modulus extracted as the health factor (HF). Then, the seagull algorithm ascertains the optimal structural parameter solutions for the DELM network. An estimation model is subsequently created by using the Seagull algorithm-optimized DELM, which aids in accurate SOH prediction for aging batteries. The proposed methodology is assessed by using an aged electrochemical impedance dataset, namely, 45 mAh commercial button batteries made with active materials composed of lithium cobaltate and graphite for positive and negative ends respectively. This openly accessible dataset is available in Nature Communications. Upon validation, the methodology proves to be highly precise.

Elucidation of the solution structure of macrocyclic paritaprevir and exploration of its antitumor potential through molecular docking

Macrocyclic molecules have emerged as significant contenders in drug development and supramolecular chemistry. Paritaprevir is a 15-membered macrocycle approved for the treatment of chronic Hepatitis C virus infection. The structural flexibility inherent in paritaprevir enables the presentation of diverse conformational features in solutions, thereby influencing its binding pattern with proteins. In this paper, we investigated the structural characteristics of paritaprevir in protic solvents (methanol and trifluoroethanol) as well as an aprotic solvent (acetonitrile) by using experimental electronic circular dichroism spectra combined with density functional theory calculations. Our study reveals that paritaprevir can adopt different molecular conformations due to its flexible carbon chain and the solvent environment. Conformer B is particularly stable in polar solvents because of the planar hydrophobic interactions between the phenanthridine and methylpyrazine groups. Density functional theory calculations-assisted structural analyses further disclosed the weak noncovalent interactions within the stable conformations of paritaprevir. Molecular docking of paritaprevir on different cancer proteins showed that the macrocycle was highly selective against lymphoma, endometrial carcinoma, colorectal cancer, and breast cancer. This suggests that paritaprevir could potentially serve as a promising lead compound for drug design targeting these specific types of cancers. The comparison between the low energy conformation and pharmacophore conformation (docking conformation) indicates that conformer B is the primary pharmacophore conformation of paritaprevir, providing important macrocyclic structural characteristics for future macrocyclic drug development.

Molecular Mechanism of pH-Induced Protrusion Configuration Switching in Piscine Betanodavirus Implies a Novel Antiviral Strategy.

Many viruses contain surface spikes or protrusions that are essential for virus entry. These surface structures can thereby be targeted by antiviral drugs to treat viral infections. Nervous necrosis virus (NNV), a simple nonenveloped virus in the genus of betanodavirus, infects fish and damages aquaculture worldwide. NNV has 60 conspicuous surface protrusions, each comprising three protrusion domains (P-domain) of its capsid protein. NNV uses protrusions to bind to common receptors of sialic acids on the host cell surface to initiate its entry via the endocytic pathway. However, structural alterations of NNV in response to acidic conditions encountered during this pathway remain unknown, while detailed interactions of protrusions with receptors are unclear. Here, we used cryo-EM to discover that Grouper NNV protrusions undergo low-pH-induced compaction and resting. NMR and molecular dynamics (MD) simulations were employed to probe the atomic details. A solution structure of the P-domain at pH 7.0 revealed a long flexible loop (amino acids 311-330) and a pocket outlined by this loop. Molecular docking analysis showed that the N-terminal moiety of sialic acid inserted into this pocket to interact with conserved residues inside. MD simulations demonstrated that part of this loop converted to a β-strand under acidic conditions, allowing for P-domain trimerization and compaction. Additionally, a low-pH-favored conformation is attained for the linker connecting the P-domain to the NNV shell, conferring resting protrusions. Our findings uncover novel pH-dependent conformational switching mechanisms underlying NNV protrusion dynamics potentially utilized for facilitating NNV entry, providing new structural insights into complex NNV-host interactions with the identification of putative druggable hotspots on the protrusion.

Flavor mixing and solution structures in Dyson–Schwinger equations for a two-flavor system

We solved the Dyson–Schwinger (DS) equations for a two-flavor system with symmetry to study its flavor mixing effects. Initially, we employed the point interaction model and bare vertex approximation to reveal the structure of the solutions. Using the point interaction model, the DS equations can be solved analytically, and we found that these solutions can be classified into three groups, each forming an ellipse. These solutions exhibit SO(2) symmetry, while the original SU(2) symmetry at the Lagrangian level is dynamically broken to SO(2), corresponding to the emergence of flavor mixing effects. However, this flavor mixing effect does not manifest in the final physical state. By utilizing the system’s SO(2) symmetry, we can diagonalize the propagators of the DS equations, eliminating the flavor mixing effect but causing the originally degenerate masses at the Lagrangian level to split. These mass eigenstates have identical quantum numbers but different masses. If we can correspond these to quark particles of different generations, we can explain why the three generations of quarks have different masses and obtain the corresponding quark mass spectrum. Finally, we provide the corresponding numerical results using a more realistic interaction model.

Solution structures and effects of a platinum compound successively bound MYC G-quadruplex.

G-quadruplex (G4) structures play integral roles in modulating biological functions and can be regulated by small molecules. The MYC gene is critical during tumor initiation and malignant progression, in which G4 acts as an important modulation motif. Herein, we reported the MYC promoter G4 recognized by a platinum(II) compound Pt-phen. Two Pt-phen-MYC G4 complex structures in 5 mM K+were determined by NMR. The Pt-phen first strongly binds the 3'-end of MYC G4 to form a 1:1 3'-end binding complex and then binds 5'-end to form a 2:1 complex with more Pt-phen. In the complexes, the Pt-phen molecules are well-defined and stack over four bases at the G-tetrad for a highly extensive π-π interaction, with the Pt atom aligning with the center of the G-tetrad. The flanking residues were observed to rearrange and cover on top of Pt-phen to stabilize the whole complex. We further demonstrated that Pt-phen targets G4 DNA in living cells and represses MYC gene expression in cancer cells. Our work elucidated the structural basis of ligand binding to MYC promoter G4. The platinum compound bound G4 includes multiple complexes formation, providing insights into the design of metal ligands targeting oncogene G4 DNA.

The cyanobacterial protein VIPP1 forms ESCRT-III-like structures on lipid bilayers.

The biogenesis and maintenance of thylakoid membranes require vesicle-inducing protein in plastids 1 (VIPP1). VIPP1 is a member of the endosomal sorting complex required for transport-III (ESCRT-III) superfamily, whose members form diverse filament-based supramolecular structures that facilitate membrane deformation and fission. VIPP1 cryo-electron microscopy (EM) structures in solution revealed helical rods and baskets of stacked rings, with amphipathic membrane-binding domains in the lumen. However, how VIPP1 interacts with membranes remains largely unknown. Here, using high-speed atomic force microscopy (HS-AFM), we show that VIPP1 assembles into right-handed chiral spirals and regular polygons on supported lipid bilayers via ESCRT-III-like filament assembly and dynamics. VIPP1 filaments grow clockwise into spirals through polymerization at a ring-shaped central polymerization hub, and into polygons through clockwise polymerization at the sector peripheries. Interestingly, VIPP1 initially forms Archimedean spirals, which upon maturation transform into logarithmic spirals through lateral annealing of strands to the outermore low-curvature spiral turns.

Advances in the Parameter Space Concept towards Picometer Precise Crystal Structure Refinement—A Resolution Study

The Parameter Space Concept (PSC) is an alternative approach to solving and refining (partial) crystal structures from very few pre-chosen X-ray or neutron diffraction amplitudes without the use of Fourier inversion. PSC interprets those amplitudes as piecewise analytic hyper-surfaces, so-called isosurfaces, in the Parameter Space, which is spanned by the spatial coordinates of all atoms of interest. The intersections of all isosurfaces constitute the (possibly degenerate) structure solution. The present feasibility study investigates the La and Sr split position of the potential high-temperature super-conductor (La0.5Sr1.5)MnO4, I4/mmm, with a postulated total displacement between La and Sr of a few pm by theoretical amplitudes of pre-selected 00l reflections (l=2,4,…,20). The revision of 15-year-old results with state-of-the-art computing equipment enhances the former simplified model by varying the scattering power ratio fLa/fSr, as exploitable by means of resonant scattering contrast at synchrotron facilities, and irrevocably reveals one of the two originally proposed solutions as being a “blurred” pseudo-solution. Finally, studying the resolution limits of PSC as a function of intensity errors by means of Monte-Carlo simulations shows both that the split can only be resolved for sufficiently low errors and, particularly for the resonant scattering contrast, a theoretical precision down to ±0.19 pm can be achieved for this specific structural problem.

Surface Plasmon Resonance Allows to Correlate Molecular Properties with Diffusion Coefficients of Linear Chain Alcohols.

Every biological and physicochemical process occurring in a fluid phase depends on the diffusion coefficient (D) of the species in solution. In the present work, a model to describe and fit the behaviour of D as a function of structure and extensive thermodynamics parameters in binary solutions of linear chain organic molecules is developed. Supporting experimental and computational evidences for this model are obtained by measuring D for a series of n-alcohols through a novel surface plasmon resonance method and molecular dynamics simulations. This allows to propose a kind of combined analysis to explain the dependence of D on various thermodynamic and structural parameters. The results suggest that for small linear systems in the range from 0 to 200 g mol-1 and under the assumption that the diffusive activation energy is a linear function of mass, D is strictly dependent on the molecular shape and on the relative strength of the solute-solvent intermolecular forces represented by a parameter named R. The newly proposed approach can be utilized to characterize and monitor progressive changes in physicochemical properties for any investigated species upon increasing the dimension of the aggregate/molecule along a certain direction.

DNA-Based Conductors: From Materials Design to Ultra-Scaled Electronics.

Photolithography has been the foundational fabrication paradigm in current high-performance electronics. However, due to the limitation in fabrication resolution, scaling beyond a 20-nm critical dimension for metal conductors presents a significant challenge for photolithography. Structural DNA nanotechnology emerges as a promising alternative to photolithography, allowing for the site-specific assembly of nano-materials at single-molecule resolution. Substantial progresses have been achieved in the ultra-scaled DNA-based conductors, exhibiting novel transport characteristics and small critical dimensions. This review highlights the structure-transport property relationship for various DNA-based conductors and their potential applications in quantum/semiconductor electronics, going beyond the conventional scope focusing mainly on the shape diversity of DNA-templated metals. Different material synthesis methods and their morphological impacts on the conductivities are discussed in detail, with particular emphasis on the conducting mechanisms, such as insulating, metallic conducting, quantum tunneling, and superconducting. Furthermore, the ionic gating effect of self-assembled DNA structures in electrolyte solutions is examined. This review also suggests potential solutions to address current challenges in DNA-based conductors, encouraging multi-disciplinary collaborations for the future development of this exciting area.

Positive solutions for a nonhomogeneous nonlocal logistic equation

In this paper, we deal with the nonhomogeneous nonlocal dispersal equation∫ΩJ(x−y)u(y)dy−u(x)+λu(x)−a(x)up(x)+Mf(x)=0,x∈Ω¯, where Ω is a bounded and smooth domain, p>1 and the parameters M,λ>0. The kernel function J(x) is nonnegative and symmetric, and the coefficients a,f∈C(Ω¯) are assumed to be nonnegative. We are interested in the existence, uniqueness and asymptotic profiles of positive solutions. It is shown that the structure of positive solutions makes a fundamental change due to the nonhomogeneous effect. Moreover, we study the sharp profiles of positive solutions when there is a spatial degeneracy of a(x). The result exhibits that the blow-up profiles are determined by the degeneracy of a(x).

Super-Eddington Magnetized Neutron Star Accretion Flows: A Self-similar Analysis

The properties of super-Eddington accretion disks exhibit substantial distinctions from the sub-Eddington ones. In this paper, we investigate the accretion process of a magnetized neutron star (NS) surrounded by a super-Eddington disk. By constructing self-similar solutions for the disk structure, we study in detail an interaction between the NS magnetosphere and the inner region of the disk, revealing that this interaction takes place within a thin boundary layer. The magnetosphere truncation radius is found to be approximately proportional to the Alfvén radius, with a coefficient ranging between 0.34–0.71, influenced by the advection and twisting of a magnetic field, NS rotation, and radiation emitted from an NS accretion column. Under super-Eddington accretion, the NS can readily spin up to become a rapid rotator. The proposed model can be employed to explore the accretion and evolution of NSs in diverse astrophysical contexts, such as ultraluminous X-ray binaries or active galactic nucleus disks.

Development of novel antimicrobials with engineered endolysin LysECD7-SMAP to combat Gram-negative bacterial infections

BackgroundAmong the non-traditional antibacterial agents in development, only a few targets critical Gram-negative bacteria such as carbapenem-resistant Pseudomonas aeruginosa, Acinetobacter baumannii or cephalosporin-resistant Enterobacteriaceae. Endolysins and their genetically modified versions meet the World Health Organization criteria for innovation, have a novel mode of antibacterial action, no known bacterial cross-resistance, and are being intensively studied for application against Gram-negative pathogens.MethodsThe study presents a multidisciplinary approach, including genetic engineering of LysECD7-SMAP and production of recombinant endolysin, its analysis by crystal structure solution following molecular dynamics simulations and evaluation of antibacterial properties. Two types of antimicrobial dosage forms were formulated, resulting in lyophilized powder for injection and hydroxyethylcellulose gel for topical administration. Their efficacy was estimated in the treatment of sepsis, and pneumonia models in BALB/c mice, diabetes-associated wound infection in the leptin receptor-deficient db/db mice and infected burn wounds in rats.ResultsIn this work, we investigate the application strategies of the engineered endolysin LysECD7-SMAP and its dosage forms evaluated in preclinical studies. The catalytic domain of the enzyme shares the conserved structure of endopeptidases containing a putative antimicrobial peptide at the C-terminus of polypeptide chain. The activity of endolysins has been demonstrated against a range of pathogens, such as Klebsiella pneumoniae, A. baumannii, P. aeruginosa, Staphylococcus haemolyticus, Achromobacter spp, Burkholderia cepacia complex and Haemophylus influenzae, including those with multidrug resistance. The efficacy of candidate dosage forms has been confirmed in in vivo studies. Some aspects of the interaction of LysECD7-SMAP with cell wall molecular targets are also discussed.ConclusionsOur studies demonstrate the potential of LysECD7-SMAP therapeutics for the systemic or topical treatment of infectious diseases caused by susceptible Gram-negative bacterial species and are critical to proceed LysECD7-SMAP-based antimicrobials trials to advanced stages.