Solution Structure Research Articles

Ab initio investigation of the geometrical behavior in solution and electronic structure of the anion complexes [bis(1,3-dithiole-2-thione-4,5-dithiolate)M], for M = Bi(III), Sb(III), and Zn(II).

1,3-Dithiole-2-thione-4,5-dithiolate (dmit) ligands are known for their conductive and optical properties. Dmit compounds have been assessed for use in sensor devices, information storage, spintronics, and optical material applications. Associations with various metallic centers endow dmit complexes with magnetic, optical, conductive, and antioxidant properties. Optical doping can facilitate the fabrication of magnetic conductor materials from ground-state nonmagnetic cations. While most studied complexes involve transition-metal centers due to their diverse chemistry, compounds with representative elements are less explored in the literature. This study investigated the structural and electronic properties of bisdmit complexes with representative Bi(III), Sb(III), and Zn(II) cations. AIMD calculations revealed two new geometries for Bi(III) and Zn(II) complexes, diverging from the isolated geometry typically used in quantum chemical calculations. The coordination of acetonitrile molecules to the cationic centers of the complexes resulted in unstable structures, while the dimerization of the complexes was stable. SA-CASSCF/NEVPT2 calculations were applied to the structures of the isolated complexes and stable dimers, confirming the multireference character of the electronic structure of the three systems and the multiconfigurational character of the Bi(III) complex. The electronic spectra simulated by the STEOM-DLPNO-CCSD calculations accurately reproduced the experimental UV‒Vis spectra indicating the participation of the isolated Bi(III) dmit complex and its dimeric form in solution. AIMD calculations of the dmit salts were conducted using the GFN2-xTB method with 60 explicit acetonitrile molecules as the solvent at 300K for a total simulation time of 50.0ps, with printing intervals of 0.5fs. The final geometries were optimized employing the PBEh-3c compound method, incorporating implicit conductor-like polarizable continuum model (CPCM) solvation for acetonitrile. Local energy decomposition (LED) analysis at the DLPNO-CCSD(T)/Def2-TZVP level of theory was utilized to investigate the stability of the complex geometries identified by AIMD. The electronic structures of the complexes were assessed using the SA-CASSCF/NEVPT2/Def2-TZVP method to confirm the multiconfigurational and multireference nature of their electronic structures. Electronic spectra were analyzed using the STEOM-DLPNO-CCSD/Def2-TZVP method, with CPCM used to simulate an acetonitrile medium.

First and Second Reductions in an Aprotic Solvent: Comparing Computational and Experimental One-Electron Reduction Potentials for 345 Quinones.

Using reference reduction potentials of quinones recently measured relative to the saturated calomel electrode (SCE) in N,N-dimethylformamide (DMF), we benchmark absolute one-electron reduction potentials computed for 345 Q/Q•- and 265 Q•-/Q2- half-reactions using adiabatic electron affinities computed with density functional theory and solvation energies computed with four continuum solvation models: IEF-PCM, C-PCM, COSMO, and SM12. Regression analyses indicate a strong linear correlation between experimental and absolute computed Q/Q•- reduction potentials with Pearson's correlation coefficient (r) between 0.95 and 0.96 and the mean absolute error (MAE) relative to the linear fit between 83.29 and 89.51 mV for different solvation methods when the slope of the regression is constrained to 1. The same analysis for Q•-/Q2- gave a linear regression with r between 0.74 and 0.90 and MAE between 95.87 and 144.53 mV, respectively. The y-intercept values obtained from the linear regressions are in good agreement with the range of absolute reduction potentials reported in the literature for the SCE but reveal several sources of systematic error. The y-intercepts from Q•-/Q2- calculations are lower than those from Q/Q•- by around 320-410 mV for IEF-PCM, C-PCM, and SM12 compared to 210 mV for COSMO. Systematic errors also arise between molecules having different ring sizes (benzoquinones, naphthoquinones, and anthraquinones) and different substituents (titratable vs nontitratable). SCF convergence issues were found to be a source of random error that was slightly reduced by directly optimizing the solute structure in the continuum solvent reaction field. While SM12 MAEs were lower than those of the other solvation models for Q/Q•-, SM12 had larger MAEs for Q•-/Q2- pointing to a larger error when describing multiply charged anions in DMF. Altogether, the results highlight the advantages of, and further need for, testing computational methods using a large experimental data set that is not skewed (e.g., having more titratable than nontitratable substituents on different parent groups or vice versa) to help further distinguish between sources of random and systematic errors in the calculations.

Spring of folly: A content analysis of television political satire in the spring of 2020

ABSTRACT This study examined how television political satirists responded to the catastrophic confluence of events in the United States from the murder of George Floyd on May 25, 2020, to his burial on June 9, 2020. Programs examined include The Daily Show with Trevor Noah, Last Week Tonight with John Oliver, Full Frontal with Samantha Bee, and The Late Show with Stephen Colbert. Monologue jokes contained more gentle Horatian style satire than harsh Juvenalian satire, which may have provided some much-needed relief to viewers during this tumultuous time. However, monologues also included serious expressions of outrage and advocacy statements encouraging individual action and structural solutions. For most satirists, their outrage and advocacy remarks combined with their Juvenalian jokes outnumbered their Horatian jokes, which may have spurred viewers to take action.

Viable embedded wormholes and energy conditions in f(ℛ,𝒢) gravity

This study explores the generalized embedded wormhole (WH) solutions in the background of [Formula: see text] gravity, where [Formula: see text] represents the Ricci scalar and [Formula: see text] denotes the Gauss–Bonnet invariant. To investigate the necessary structures of the WH solutions we thoroughly analyzed the energy conditions under [Formula: see text] gravity within the anisotropic source of matter. To meet this aim, we consider spherically symmetric geometry with the most generic gravity model of the gravity. A modified version of the field equations is calculated for two different embedded WH solutions. All the energy conditions are calculated and shown graphically with the regional ranges of the model parameter. Further, the invalid region of the energy conditions confirms the presence of exotic matter. Finally, we have concluding remarks.

Structure and RNA-binding of the helically extended Roquin CCCH-type zinc finger.

Zinc finger (ZnF) domains appear in a pool of structural contexts and despite their small size achieve varying target specificities, covering single-stranded and double-stranded DNA and RNA as well as proteins. Combined with other RNA-binding domains, ZnFs enhance affinity and specificity of RNA-binding proteins (RBPs). The ZnF-containing immunoregulatory RBP Roquin initiates mRNA decay, thereby controlling the adaptive immune system. Its unique ROQ domain shape-specifically recognizes stem-looped cis-elements in mRNA 3'-untranslated regions (UTR). The N-terminus of Roquin contains a RING domain for protein-protein interactions and a ZnF, which was suggested to play an essential role in RNA decay by Roquin. The ZnF domain boundaries, its RNA motif preference and its interplay with the ROQ domain have remained elusive, also driven by the lack of high-resolution data of the challenging protein. We provide the solution structure of the Roquin-1 ZnF and use an RBNS-NMR pipeline to show that the ZnF recognizes AU-rich RNAs. We systematically refine the contributions of adenines in a poly(U)-background to specific complex formation. With the simultaneous binding of ROQ and ZnF to a natural target transcript of Roquin, our study for the first time suggests how Roquin integrates RNA shape and sequence features through the ROQ-ZnF tandem.

DUF3055 from Staphylococcus aureus adopts unique strategy for structural distinctiveness

Staphylococcus aureus remains a public health threat with the WHO classifying the pathogen as a high priority in the development of new antimicrobial agents. Whole genome sequencing has revealed a number of conserved genes that may be essential for cell viability and infection. Characterising the structure and function of these proteins will inevitably aid development of new antimicrobials. Therefore, this study elucidated the structure of hypothetical protein DUF3055 from S. aureus stain Mu50. The protein possesses an as yet undefined function and a unique fold. The size of DUF3055 made it an ideal candidate for NMR characterisation which in conjunction with circular dichroism revealed the protein to be folded. Crystallisation and structural solution found that the overall dimer fold has a negatively charged surface formed by a β-bulge and tightly crossed α-helices, with a complementary size to a DNA single turn. Our structural observations suggest that hypothetical protein DUF3055 from S. aureus has a role in DNA binding and gene regulation.

Every Problem, Every Step, All in Focus: Learning to Solve Vision-Language Problems With Integrated Attention.

Integrating information from vision and language modalities has sparked interesting applications in the fields of computer vision and natural language processing. Existing methods, though promising in tasks like image captioning and visual question answering, face challenges in understanding real-life issues and offering step-by-step solutions. In particular, they typically limit their scope to solutions with a sequential structure, thus ignoring complex inter-step dependencies. To bridge this gap, we propose a graph-based approach to vision-language problem solving. It leverages a novel integrated attention mechanism that jointly considers the importance of features within each step as well as across multiple steps. Together with a graph neural network method, this attention mechanism can be progressively learned to predict sequential and non-sequential solution graphs depending on the characterization of the problem-solving process. To tightly couple attention with the problem-solving procedure, we further design new learning objectives with attention metrics that quantify this integrated attention, which better aligns visual and language information within steps, and more accurately captures information flow between steps. Experimental results on VisualHow, a comprehensive dataset of varying solution structures, show significant improvements in predicting steps and dependencies, demonstrating the effectiveness of our approach in tackling various vision-language problems.

The Construction and Meaning of Race Within Hypertension Guidelines: A Systematic Scoping Review.

Professional society guidelines are evidence-based recommendations intended to promote standardized care and improve health outcomes. Amid increased recognition of the role racism plays in shaping inequitable healthcare delivery, many researchers and practitioners have critiqued existing guidelines, particularly those that include race-based recommendations. Critiques highlight how racism influences the evidence that guidelines are based on and its interpretation. However, few have used a systematic methodology to examine race-based recommendations. This review examines hypertension guidelines, a condition affecting nearly half of all adults in the United States (US), to understand how guidelines reference and develop recommendations related to race. A systematic scoping review of all professional guidelines on the management of essential hypertension published between 1977 and 2022 to examine the use and meaning of race categories. Of the 37 guidelines that met the inclusion criteria, we identified a total of 990 mentions of race categories.Black and African/African American were the predominant race categories referred to in guidelines (n = 409). Guideline authors used race in five key domains: describing the prevalence or etiology of hypertension; characterizing prior hypertension studies; describing hypertension interventions; social risk and social determinants of health; the complexity of race. Guideline authors largely used race categories as biological rather than social constructions. None of the guidelines discussed racism and the role it plays in perpetuating hypertension inequities. Hypertension guidelines largely refer to race as a distinct and natural category rather than confront the longstanding history of racism within and beyond the medical system.Normalizing race as a biological rather than social construct fails to address racism as a key determinant driving inequities in cardiovascular health. These changes are necessary to produce meaningful structural solutions that advance equity in hypertension education, research, and care delivery.

Skirt piles in foundation: a structural rehabilitation solution for fixed offshore platforms

An analysis and structural design of strength and ductility level earthquake is presented in this paper. Numerical results show that structural failure under seismic loads is sensitive to the degree of deterioration of structural steel. The structural elements do not present any excess stress, that is, all stress ratios are less than unity. The maximum stress ratio is 0.942, in the superstructure of element 1586-1571, which corresponds to a main deck beam elevation (+) 15,850 m.

Ensuring the stability of deep boilers of high-rise buildings

In today's conditions, the development of underground space can rightly be considered one of the most important and dynamic directions in civil and industrial construction at the worldlevel. In Ukraine, underground construction is important in connection with Russia's aggressive war. Underground and buried structures are most actively built in large cities and megacities. The main reasons for the need to use underground space in cities include the lack of free territories within historically formed buildings and requirements for urban infrastructure development. Today, the underground space is used not onlyfor the placement of engineering communicationsand transport facilities, but also for the construction of public complexes, multi-story underground garages and parking lots, shopping centers, as well asburied parts of residential and office buildings. Structural solutions for underground and buried structures, as well as their construction methods, depend on spatial planning solutions, purpose, depth of laying, engineering-geological, climatic and seismic construction conditions, surface loads, and the proximity of other buildings and buildings. Today, the maximum depth of pits designed inurban conditions usually do not exceed 25-30 m, and the number of underground floors is five to six. Given the growing demand for underground space, especially in densely populated areas, designers and engineers face a number of challengesthat require innovative approaches and modern technologies. This includes the use of the latest methods of geotechnical modeling, the use of highquality materials that ensure the durability and safety of structures, and the implementation of effective water drainage and waterproofing systems. Particular attention should be paid to safety issues during the construction and operation of underground structures, as they may be exposed to natural and man-made factors, such as groundwater, soil movement, and seismic activity. An important aspect is also the provision of comfortable conditions for people using underground facilities, which includes ventilation, lighting and evacuation routes. Scientific research and the experience of international projects demonstrate that the correct use of underground space can significantly increase the efficiency of the use of urban areas, contribute to the steady development of cities and improve the quality of life of their residents. Investments in underground construction are becoming more and more justified in view of the long-term benefits and theneed to adapt to the conditions of the modern urban environment. In general, underground construction is an important direction that has significant potential for development and improvement in the future, responding to the challenges of time and contributing to the development of modern infrastructure.

Wind influence numerical simulations on stadium structures in RWIND module of the DLUBAL RFEM software

This paper examines the effect of wind load on the stadium building, designed as a possible replacement for the stadium in the city of Mariupol, which was destroyed as a result of hostilities. The problems of using domestic standards in the design of stadium structures are considered. The approach of European regulatory documents to taking into account the effect of wind influence is considered. An analysis of previous scientific studies concerning the determination of aerodynamic parameters for stadium structures has been carried out. An analysis of the domestic regulatory document regulating the collection of wind loads showed the need for additional research into the aerodynamic parameters for stadium structures. Using a special RWIND module as part of the Dlubal RFEM software package, numerical modeling was used to simulate the wind flow flowing around the model of the stadium building, which best corresponded to the adopted design decisions, as if it were carried out in a real wind tunnel. A project was considered for an ellipsoidal stadium, the configuration of the stands and the covering of which is a full bowl with an incomplete covering. The covering over the stadium stands is designed in the form of a canopy formed by cantilever flat steel trusses. The basis of the stadium building frame is made up of vertical steel frames with a rigid connection of nodes, to the central post of which cantilever trusses of the canopy are attached. The result of theoretical testing of the stadium model was distribution diagrams of aerodynamic coefficients, the maximum values of which were used to further determine the values of wind pressure on these structures. An analysis of the research results was was carried out. The use of numerical simulation tools for wind flows made it possible to increase the complexity of the system both at the level of the design solution and at the level of the calculation model. Analysis of the design solution allowed us to competently select the necessary design solutions for load-bearing structures, taking into account the requirements of current design standards and Eurocode 1 regulations.

C(P)XCG Proteins of Haloferax volcanii with Predicted Zinc Finger Domains: the Majority Bind Zinc, but Several Do Not

In recent years, interest in very small proteins (µ-proteins) has increased significantly, and they were found to fulfill important functions in all prokaryotic and eukaryotic species. The halophilic archaeon Haloferax volcanii encodes about 400 µ-proteins of less than 70 amino acids, 49 of which contain at least two C(P)XCG motifs and are, thus, predicted zinc finger proteins. The determination of the NMR solution structure of HVO_2753 revealed that only one of two predicted zinc fingers actually bound zinc, while a second one was metal-free. Therefore, the aim of the current study was the homologous production of additional C(P)XCG proteins and the quantification of their zinc content. Attempts to produce 31 proteins failed, underscoring the particular difficulties of working with µ-proteins. In total, 14 proteins could be produced and purified, and the zinc content was determined. Only nine proteins complexed zinc, while five proteins were zinc-free. Three of the latter could be analyzed using ESI-MS and were found to contain another metal, most likely cobalt or nickel. Therefore, at least in haloarchaea, the variability of predicted C(P)XCG zinc finger motifs is higher than anticipated, and they can be metal-free, bind zinc, or bind another metal. Notably, AlphaFold2 cannot correctly predict whether or not the four cysteines have the tetrahedral configuration that is a prerequisite for metal binding.

Validation of electron-microscopy maps using solution small-angle X-ray scattering.

The determination of the atomic resolution structure of biomacromolecules isessential for understanding details of their function. Traditionally, such a structure determination has been performed with crystallographic or nuclear resonance methods, but during the last decade, cryogenic transmission electron microscopy (cryo-TEM) has become an equally important tool. As the blotting and flash-freezing of the samples can induce conformational changes, external validation tools are required to ensure that the vitrified samples are representative of the solution. Although many validation tools have already been developed, most of them rely on fully resolved atomic models, which prevents early screening of the cryo-TEM maps. Here, a novel and automated method forperforming such a validation utilizing small-angle X-ray scattering measurements, publicly available through the new software package AUSAXS, is introduced and implemented. The method has been tested on both simulated and experimental data, where it was shown to work remarkably well as a validation tool. The method provides a dummy atomic model derived from the EM map which best represents the solution structure.

Effect of sputtering power and substrate bias on microstructure, mechanical properties and corrosion behavior of CoCrFeMnNi high entropy alloy thin films deposited by magnetron sputtering method

The CoCrFeMnNi high entropy alloy thin films with crystalline (solid solution) structure or amorphous state were fabricated by magnetron sputtering process at different target powers and different substrate bias. Effects of the target power and substrate bias on the characteristics of the CoCrFeMnNi thin films such as microstructures, morphology and surface topography, as well as mechanical properties and corrosion behavior were studied. Phase prediction was calculated by using thermodynamic and kinetic criteria under various deposition conditions. The enthalpy, entropy, δ and Ω parameters, and electronegativity differences influenced the solid solution stability of thin films. These parameters led to the formation of solid solutions with crystalline or amorphous structures under specific limits, which corresponded to the practical XRD and TEM analysis results. Using a substrate bias in the deposition of CoCrFeMnNi thin film changed the amorphous structure to a crystalline (solid solution (BCC + FCC)) at higher target powers (200 and 300 W). On the other hand, the film structure was entirely amorphous at all sputtering target powers without the substrate bias. The mechanical properties, such as hardness, Young's modulus, film strength, and fracture toughness of CoCrFeMnNi thin film, can be enhanced by using the substrate bias and increasing the sputtering power. The potentiodynamic polarization test in 3.5 wt% NaCl aqueous solution indicated that the deposition of CoCrFeMnNi thin films at different sputtering powers and without substrate bias could increase the corrosion resistance of 304 stainless steel substrate. Using the substrate bias of −100 V in the fabrication of CoCrFeMnNi thin film decreased the corrosion current density and increased its polarization resistance.

The Structure and Function of the Bacterial Osmotically Inducible Protein Y

The ability to adapt to osmotically diverse and fluctuating environments is critical to the survival and resilience of bacteria that colonize the human gut and urinary tract. Environmental stress often provides cross-protection against other challenges and increases antibiotic tolerance of bacteria. Thus, it is critical to understand how E. coli and other microbes survive and adapt to stress conditions. The osmotically inducible protein Y (OsmY) is significantly upregulated in response to hypertonicity. Yet its function remains unknown for decades. We determined the solution structure and dynamics of OsmY by nuclear magnetic resonance spectroscopy, which revealed that the two Bacterial OsmY and Nodulation (BON) domains of the protein are flexibly linked under low- and high-salinity conditions. In-cell solid-state NMR further indicates that there are no gross structural changes in OsmY as a function of osmotic stress. Using cryo-electron and super-resolution fluorescence microscopy, we show that OsmY attenuates plasmolysis-induced structural changes in E. coli and improves the time to growth resumption after osmotic upshift. Structure-guided mutational and functional studies demonstrate that exposed hydrophobic residues in the BON1 domain are critical for the function of OsmY. We find no evidence for membrane interaction of the BON domains of OsmY, contrary to current assumptions. Instead, at high ionic strength, we observe an interaction with the water channel, AqpZ. Thus, OsmY does not play a simple structural role in E. coli but may influence a cascade of osmoregulatory functions of the cell.

Effect of laser energy density on cracking susceptibility and wear resistance of laser-clad tribaloy T-800 coatings on DD5 single-crystal alloys

In order to enhance the wear resistance of DD5 single-crystal alloys, Tribaloy T-800 wear-resistant coatings were prepared on their surfaces using laser-cladding technology. This study examines the effect of laser energy density on the cracking susceptibility and wear resistance of laser-clad Tribaloy T-800 coatings on DD5 single-crystal alloys. Three distinct laser energy densities (η1=33 J/mm², η2=50 J/mm², η3=60 J/mm²) were applied to create the coatings. The results show that the microstructures of the T-800 laser-clad coatings mainly consist of primary, coarsened, and spheroidized Laves phases, as well as Co-based solid solution and eutectic structures. The phases include Co3Mo2Si phase (Laves phase) and face-centered cubic Co-based solid solution. However, increasing laser energy density enhanced elemental diffusion at the heterogeneous joining interface of the DD5 substrate/T-800 coating, leading to higher Ni content in the coating. This resulted in a reduction in the tendency and content of Mo-rich Laves phase formation respective contents of 53.2 %, 49.2 %, and 47.5 %. Moreover, the decrease in the difference between laser cladding temperature and initial temperature, ∆T, led to reduced thermal stress at the interface, σ, contributing to a decrease in cracking susceptibility (a), with corresponding values of 0.16184, 0.00034, and 0.00022. Thermal expansion coefficients of materials in the cracked region near the interface, measured according to the CALPHAD method, Jmatpro software, and average EDS elemental content data at the crack edge, surpassed those of the corresponding DD5 substrate. Consequently, cracks in the coatings originated from stretching at the interface, with paths tending to cross Laves phase particles in a cleavage mode. The average microhardness of the coatings decreased due to reduced Laves phase content, with values of 783.4 HV0.5, 741.7 HV0.5, and 708.2 HV0.5, respectively, while the fatigue wear of T-800 coatings increased due to exacerbated wear damage from cracking defects. Specifically, average COFs were 0.659, 0.583, and 0.506, with corresponding mass losses of 7.1 mg, 3.4 mg, and 2.9 mg, respectively. The wear mechanisms observed encompassed fatigue wear, abrasive wear, and oxidative wear.

DYNAMICS OF OPTICAL WAVE PROFILES TO THE FRACTIONAL THREE-COMPONENT COUPLED NONLINEAR SCHRÖDINGER EQUATION

This paper explores the truncated [Formula: see text]-fractional three-component coupled nonlinear Schrödinger (tc-CNLS) equation, that regulates the behavior of optical pulses in optical fibers. These equations are utilized in various scientific and engineering fields, including nonlinear fiber optics, electromagnetic field waves, and signal processing through optical fibers. The study of multi-component NLS equations has gained significant attention due to their ability to elucidate various complex physical phenomena and exhibit more dynamic structures of localized wave solutions. The freshly invented integration tools, known as the fractional modified Sardar subequation method (MSSEM) and fractional enhanced modified extended tanh-expansion method (eMETEM), are employed to ensure the solutions. The study focuses on extracting various types of optical solitons, including bright, dark, singular, bright-dark, complex, and combined solitons. Optical soliton propagation in optical fibers is currently a subject of great interest due to the multiple prospects for ultrafast signal routing systems and short light pulses in communications. In nonlinear dispersive media, optical solitons are stretched electromagnetic waves that maintain their intensity due to a balance between the effects of dispersion and nonlinearity. Furthermore, hyperbolic, periodic and exponential solutions are generated. The utilized methodology is effective in explaining fractional nonlinear partial differential equations (FNLPDEs) as it offers pre-existing solutions and additionally derives novel exact solutions by mixing outcomes from various procedures. Furthermore, we plot the visualizations of solutions by plotting 3D, 2D, and contour graphs with the corresponding parameter values. The findings of this paper can improve the understanding of the nonlinear dynamical behavior of a specific system and demonstrate the efficacy of the methodology used. We anticipate that our study will provide substantial benefits to a considerable group of engineering model experts. The findings demonstrate the efficacy, efficiency, and applicability of the computational method employed, particularly in dealing with intricate systems.

Rationale Design for Anchoring Pendant Groups of Zwitterionic Polymeric Medical Coatings.

A biocompatible and antifouling polymeric medical coating was developed through rational design for anchoring pendant groups for the modification of stainless steel. Zwitterionic 2-methacryloyloxyethyl phosphorylcholine (MPC) was copolymerized individually with three anchoring monomers of carboxyl acrylamides with different alkyl spacers, including acryloylglycine (2-AE), 6-acrylamidohexanoic acid (6-AH), and 11-acrylamidoundecanoic acid (11-AU). The carboxylic acid groups are responsible for the stable grafting of copolymers onto stainless steel via a coordinative interaction with metal oxides. Due to hydrophobic interaction and hydrogen bonding, the anchoring monomers enable the formation of self-assembling structures in solution and at a metallic interface, which can play an important role in the thin film formation and functionality of the coatings. Therefore, surface characterizations of anchoring monomers on stainless steel were conducted to analyze the packing density and strength of the intermolecular hydrogen bonds. The corresponding copolymers were synthesized, and their aggregate structures were assessed, showing micelle aggregation for copolymers with higher hydrophobic compositions. The synergistic effects of inter/intramolecular interactions and hydrophobicity of the anchoring monomers result in the diversity of the thickness, surface coverage, wettability, and friction of the polymeric coatings on stainless steel. More importantly, the antifouling properties of the coatings against bacteria and proteins were strongly correlated to thin film formation. Ultimately, the key lies in deciphering the molecular structure of the anchoring pendants in thin film formation and assessing the effectiveness of the coatings, which led to the development of medical coatings through the graft-onto approach.

Shear Lag Effect and Its Additional Deflection Contribution of Composite Beam Bridges

The composite beam structure is widely used in the engineering field because it benefits from the advantages of two materials, presenting outstanding advantages for construction purposes. However, at present, there are issues with the analysis and solution of the composite beam structure, such as the difficulty in developing a suitable analytical theory and the low degree of refinement achieved by simulation analysis. To accurately grasp the mechanical behavior of the composite beam structure and achieve its refined analysis, this paper proposes a refined spatial grid element analysis method that can simultaneously obtain the internal forces, displacements, and stresses of various parts of a composite beam. Based on the above new method, the effects of geometrical structural factors such as wide-span ratio, high-span ratio, and web thickness with respect to the shear lag effect are analyzed. The distribution law of the shear lag coefficient and its additional deflection are analyzed. The results demonstrate that using this analysis method to calculate and analyze steel-concrete duplex type composite beams can directly obtain the internal forces and displacements of the joints of the composite beam roof, floor, and web. The spatial grid element analysis method provides both the theoretical and practical means to achieve both the overall and local refinement analysis of the composite beam structure.

Optimal design of offshore jacket platform using enhanced colliding bodies optimization algorithm

Given the considerable volume of materials used in jacket platforms, structural optimization of these structures is always of interest. In the design optimization of offshore jacket platforms, the objective function is iteratively evaluated through a number of complex and time-consuming analyses making the optimization process computationally expensive. To reduce the computational costs, therefore, it is imperative to investigate efficient optimization algorithms with a high convergence rate to achieve optimal solutions for offshore jacket structures as a large-scale and complex problem. Accordingly, this research studies the application of a novel metaheuristic algorithm called Enhanced Colliding Bodies Optimization (ECBO) for the design optimization of a real jacket platform, SPD19A. The optimization constraints comprise stress and buckling in the members, horizontal displacements at the working point, and structural adequacy control of connections. The optimization results are subsequently compared to a design optimized by the Genetic Algorithm (GA), as an example, to evaluate the efficiency of the ECBO algorithm for the offshore jacket structure. The outcomes indicate that ECBO optimizes the jacket more effectively by 15%, while the optimization ratio of GA is 11%. Hence, the results confirm that ECBO has great and favorable efficiency and can potently escape from local optima to reach a better design for the jacket structure.