Mixed Assembly Research Articles

Virtual Simulation-Based Optimization for Assembly Flow Shop Scheduling Using Migratory Bird Algorithm.

As industrial informatization progresses, virtual simulation technologies are increasingly demonstrating their potential in industrial applications. These systems utilize various sensors to capture real-time factory data, which are then transmitted to servers via communication interfaces to construct corresponding digital models. This integration facilitates tasks such as monitoring and prediction, enabling more accurate and convenient production scheduling and forecasting. This is particularly significant for flexible or mixed-flow production modes. Bionic optimization algorithms have demonstrated strong performance in factory scheduling and operations. Centered around these algorithms, researchers have explored various strategies to enhance efficiency and optimize processes within manufacturing environments.This study introduces an efficient migratory bird optimization algorithm designed to address production scheduling challenges in an assembly shop with mold quantity constraints. The research aims to minimize the maximum completion time in a batch flow mixed assembly flow shop scheduling problem, incorporating variable batch partitioning strategies. A tailored virtual simulation framework supports this objective. The algorithm employs a two-stage encoding mechanism for batch partitioning and sequencing, adapted to the unique constraints of each production stage. To enhance the search performance of the neighborhood structure, the study identifies and analyzes optimization strategies for batch partitioning and sequencing, and incorporates an adaptive neighborhood structure adjustment strategy. A competition mechanism is also designed to enhance the algorithm's optimization efficiency. Simulation experiments of varying scales demonstrate the effectiveness of the variable batch partitioning strategy, showing a 5-6% improvement over equal batch strategies. Results across different scales and parameters confirm the robustness of the algorithm.

Rapid assembly of mixed thiols for toll-like receptor-based electrochemical pathogen sensing.

Herein, we describe a rapid and facile fabrication of electrochemical sensors utilizing two different toll-like receptor (TLR) proteins as biorecognition elements to detect bacterial pathogen associated molecular patterns (PAMPs). Using potential-assisted self-assembly, binary mixtures of 11-mercaptoundecanoic acid (MUA) and 6-mercapto-1-hexanol (MCH), or MUA and an in-house synthesized zwitterionic sulfobetaine thiol (DPS) were assembled on a gold working electrode within 5 minutes, which is >200 times shorter than other TLR sensors' preparation time. Electrochemical methods and X-ray photoelectron microscopy were used to characterize the SAM layers. SAMs composed of the betaine terminated thiol exhibited superior resistance to nonspecific interactions, and were used to develop the TLR sensors. Biosensors containing two individually immobilized TLRs (TLR4 and TLR9) were fabricated on separate MUA-DPS SAM modified Au electrodes (MUA-DPS/Au) and tested for their response towards their respective PAMPs. The changes to electron transfer resistance in EIS of the TLR4/MUA-DPS/Au sensor showed a detection limit of 4 ng mL-1 for E. coli 0157:H7 endotoxin (lipopolysaccharide, LPS) and a dynamic range of up to 1000 ng mL-1. The TLR4-based sensor showed negligible response when tested with LPS spiked human plasma samples, showing no interference from the plasma matrix. The TLR9/MUA-DPS/Au sensor responded linearly up to 350 μg mL-1 bacterial DNA, with a detection limit of 7 μg mL-1. The rapid assembly of the TLR sensors, excellent antifouling properties of the mixed SAM assembly, small size and ease of operation of EIS hold great promise for the development of a portable and automated broad-spectrum pathogen detection and classification tool.

Digital Twin-Driven Dynamic Scheduling of Flexible Manufacturing System in the Context of Smart Factory Producing Brass Accessories

This study aims to deal with a dynamic scheduling problem of a real Flow Shop follow-up of an assembly process considering the specific constraints and requirements of a brass accessories manufacturing (BAM) company. We basically set up a Digital Twin-driven dynamic scheduling approach for Industry 4.0 by addressing uncertainties of machine availability. In fact, the setup of this Digital Twin (DT) is the outcome of the combination of both optimization and simulation. For the first step, we have elaborated a Mixed Integer Linear Programming (MILP) scheduling model by taking into account the dedicated requisites of our case study. Concerning simulation, a 3D simulation platform of a workshop producing brass accessories controlled by a Cyber-Physical Production System (CPPS) has been developed, in our previous work, including constraints and stochastic aspects. The simulation constraints are difficult or impossible to be modeled in the MILP model. These designs are integrated with the real workshop to construct the Digital Twin. The proposed tool enables the rescheduling of production orders based on machine disturbances and unpredictability. Validation scenarios have been designed and conducted to highlight the efficacy of the Digital Twin approach utilizing the brass accessories case study. We are confident that this represents the initial endeavor addressing the optimization of production rescheduling in a flow shop follow-up of a mixed assembly system.

Structural, spectroscopy, nonlinear optical, and laser damage threshold analyses of sodium guanidinium bis(4-methylbenzenesulfonate) hydrate (NGMBS) crystal

Sodium guanidinium bis(4-methylbenzenesulfonate) hydrate (NGMBS) crystallized in the monoclinic crystal system with non-centrosymmetric space group P21. The mixed ionic crystal assembly was stabilized by N H⋯O hydrogen bonding involving guanidinium ion and with Na+ ions surrounded by aqua ligands and S–O oxygen atoms completing six coordination involving with coordinate covalent and ion–dipole interactions. A supramolecular assembly in two dimensions (along the a and b-axis) is possible by H-bonding which brought the Na+ within a distance of 3.6493 Å. The two 4-methylbenzenesulfonate ligands in one formula unit were not identical and exhibited structural variations. Hirshfeld analyses indicated significant interaction due to N⋯H, O⋯H, and Na+ … O. The vibrational bands were ascertained using FTIR. A cut-off wavelength of 273 nm and bandgap of 4.50 eV were estimated from UV–visible spectroscopy. The compound excited at 260 showed emission at 291 nm. Colour purity up to 95.62 % was estimated from chromaticity calculations. Kurtz-Perry's method confirmed that NGMBS showed NLO properties 1.5 times than KDP. The NGMBS crystal demonstrated superior resistance to LASER induced damage as compared to urea.

Balance of mixed flow assembly line based on industrial engineering mathematics and simulated annealing improved algorithm

The frequent changes in customer orders have led to the need for production line rebalancing and design. The increasing complexity of mixed assembly of multiple products makes it an urgent issue to perfect the balance of mixed flow assembly lines. This study proposes an improved simulated annealing algorithm by combining industrial engineering mathematical methods with intelligent optimization algorithms. The purpose is to achieve balanced optimization of mixed flow assembly lines by minimizing production rhythm, balancing load between workstations, and minimizing loss time within workstations. Firstly, industrial engineering methods are used to analyze the mixed flow assembly line, and then a mathematical optimization model is established by combining simulated annealing algorithm and genetic algorithm. Finally, through example simulation, the effectiveness of the algorithm is verified, and the superiority of its performance is verified through algorithm comparison. The experiment shows that the balance rate of the optimized assembly line for a total of 60 processes in 12 workstations has increased by about 6%. The smoothness index decreases by about 4. The loss coefficient has decreased by approximately 0.06. The overall efficiency has increased by about 12%. The smoothness index decreases by 0.3 in comparison with the solution results of Jackson's law in a case of 11 processes in 5 workstations. This fully demonstrates that the hybrid model has higher optimization efficiency, achieves balanced optimization of the mixed flow assembly line, improves production efficiency, and reduces equipment idle rate.

Physicochemical Properties of Cetrimonium Bromide in Electrolytes and Nonelectrolyte Environments

Background: The physicochemical properties, including the thermodynamics of micellization studies, received much attention. Cationic surfactant cetrimonium bromide (C16TABr) in electrolytes (sodium chloride and sodium salicylate) and nonelectrolyte (Ethylene glycol) in an aqueous solution were examined, and interesting results were obtained. The present investigation aims to identify a suitable combination of cationic surfactant cetrimonium bromide + electrolytes and nonelectrolytes having the ability to alter the size or shape of the micellar system using available methods. Methods: Surface tension, conductivity, viscosity, ultrasonic velocity, and dynamic light scattering (DLS) methods at different temperatures (303-323K) were used during the experimental research work. Results: The experimental results pointed out that the incorporation of electrolytes and nonelectrolyte into the cationic surfactant affects the physicochemical properties such as critical micelle concentration (CMC), surface tension (ST), degree of ionization (α), degree of counterion binding (β), standard Gibbs free energy of micellization (ΔGo m), standard entropy of micellization (ΔSo m), standard heat of micellization (ΔHo m), viscosities, and acoustic parameters. Dynamic light scattering (DLS) measurements reveal exciting facts related to the size and shape transformation of the mixed micellar assembly. Structure modification can be obtained by choosing right the combination of cationic surfactant cetrimonium bromide + electrolytes (sodium chloride and sodium salicylate) and nonelectrolyte (Ethylene glycol) ratio. Conclusion: It concluded that, over a threshold level, an electrolyte such as NaCl concentration causes the micelle size to rise. The entropy of micellization goes down when a structure-breaker (EG) is added to the water phase, and this is because the structure of the water is changed near hydrophobic groups. The physicochemical features of cetrimonium bromide (C16TABr) show unique behaviour under the influence of micelle-driven and micelle- forbidden systems.

Ordered assembly of two different metal clusters with the same topological connectivity in one single coordination network.

The introduction of heterogeneous components within one single coordination network leads to the multifunctionality of the final material. However, it is hard to precisely control the local distribution of these different components in such a coordination network, especially for different components with identical topological connectivity. In this study, we successfully achieved the ordered assembly of [Mn3(μ3-O)] nodes and [Mn6(μ3-O)2(CH3COO)3] nodes within one pacs coordination network. The resulting new structure (NPU-6) with heterogeneous metal nodes simultaneously inherits the advantages of both parent networks (good thermal stability and high pore volume). The significant effect of the reaction concentration of competing ligand CH3COO- on the mixed assembly of these two nodes in NPU-6 is revealed by a series of control experiments. This method is anticipated to offer a valuable reference for orderly assembling heterogeneous components in coordination networks.

Intention recognition-based human–machine interaction for mixed flow assembly

Mixed-flow assembly provides a highly adaptable solution for production processes, catering to the extensive customization requirements in product manufacturing. Human–machine interaction (HMI) can significantly enhance the efficiency, flexibility, and responsiveness of mixed-flow production lines by enabling operators to collaborate with machines. However, current HMI research primarily focuses on temporal or spatial interaction, where tasks are completed independently by the operator and machine in a predetermined sequence, with emphasis on collision avoidance in a shared workspace. Research on spatial–temporal HMI is currently lacking. This paper addresses this gap through three comprehensive steps. Firstly, we develop an intention recognition model based on Gaussian mixture distribution to effectively identify the user’s operational intention. Subsequently, we design a hybrid industrial communication architecture to facilitate intent sharing among various production elements. Finally, an empirical study is conducted to assess the impact of different forms of HMI on assembly efficiency and error rates. Our experimental results demonstrate that spatial–temporal HMI can enhance assembly efficiency by approximately 15% and reduce the defective rate. In future studies, the proposed spatial–temporal cooperation platform could integrate additional perception technologies to alleviate assembly fatigue and improve operators’ well-being.

On Energy Consumption and Productivity in a Mixed-Model Assembly Line Sequencing Problem

Mixed and multi-model assembly line sequencing problems are more practical than single-product models. The methods and selection criteria used must keep up with the constantly increasing level of variability, synchronize flows between various—often very energy-intensive production departments—and cope with high dynamics resulting from interrupted supply chains. The requirements for conscious use of Earth’s limited natural resources and the need to limit energy consumption and interference in the environment force the inclusion of additional evaluation criteria focusing on the environmental aspect in optimization models. Effective sustainable solutions take into account productivity, timeliness, flow synchronization, and the reduction of energy consumption. In the paper, the problem of determining the sequence of vehicles for a selected class of multi-version assembly lines, in which the order restrictions were determined taking into account the above criteria, is presented. Original value of the paper is the development of the Grey Wolf Optimizer (GWO) for the mixed-model assembly lines sequencing problem. In the paper, a comparative analysis of the greedy heuristics, Simulated Annealing and GWO for a real case study of a mixed vehicle assembly line is presented. The GWO outperforms other algorithms. Overall research performance of the GWO on the sequencing problem is effective.

Characterization of a Tigecycline-, Linezolid- and Vancomycin-Resistant Clinical Enteroccoccus faecium Isolate, Carrying vanA and vanB Genes.

Increasing incidence of Enterococcus faecium resistant to key antimicrobials used in therapy of hospitalized patients is a worrisome phenomenon observed worldwide. Our aim was to characterize a tigecycline-, linezolid- and vancomycin-resistant E. faecium isolate with the vanA and vanB genes, originating from a hematoma of a patient hospitalized in an intensive care unit in Poland. Antimicrobial susceptibility (a broad panel) was tested using gradient tests with predefined antibiotic concentrations. The complete genome sequence was obtained from a mixed assembly of Illumina MiSeq and Oxford Nanopore's MinION reads. The genome was analyzed with appropriate tools available at the Center for Genomic Epidemiology, PubMLST and GenBank. Transferability of oxazolidinone, tigecycline and vancomycin resistance genes was investigated by conjugation, followed by PCR screen of transconjugants for antimicrobial resistance genes and plasmid rep genes characteristic for the donor and genomic sequencing of selected transconjugants. The isolate was resistant to most antimicrobials tested; susceptibility to daptomycin, erythromycin and chloramphenicol was significantly reduced, and only oritavancin retained the full activity. The isolate represented sequence type 18 (ST18) and carried vanA, vanB, poxtA, fexB, tet(L), tet(M), aac(6')-aph(2''), ant(6)-Ia and ant(6')-Ii. The vanA, poxtA and tet(M) genes located on ~ 40-kb plasmids were transferable by conjugation yielding transconjugants resistant to vancomycin, linezolid and tigecycline. The substitutions in LiaS, putative histidine kinase, SulP, putative sulfate transporter, RpoB and RpoC were potential determinants of an elevated daptomycin MIC. Comparative analyses of the studied isolate with E. faecium isolates from other countries revealed its similarity to ST18 isolates from Ireland and Uganda from human infections. We provide the detailed characteristics of the genomic determinants of antimicrobial resistance of a clinical E. faecium demonstrating the concomitant presence of both vanA and vanB and resistance to vancomycin, linezolid, tigecycline and several other compounds and decreased daptomycin susceptibility. This isolate is a striking example of an accumulation of resistance determinants involving various mechanisms by a single hospital strain.

Experimental investigation of mixing railway ballast grains with different form using large-scale direct shear box apparatus

This paper investigates the effect of grain form on the mechanical behaviour of a railway ballast aggregate using large-scale shear box tests. The speciality of the research is that – contrarily to most of the experimental studies, where the shape content of the assemblies are not manipulated – here, the grains were carefully sorted and the ballast samples were assembled with the desired size and form content. A new sorting method was developed for laboratory-scale samples to separate compact and non-compact (flat, elongated or bladed) grains. This method utilises the combination of standard bar sieves and shape index calliper. The geometries of the grains in the resultant assemblies were thoroughly investigated using modern 3D imaging-based shape characterisation methods. With the adequate parameter thresholds, good correspondence was found between the standard industrial and the modern imaging-based methods, which allows the virtual reproduction of the introduced laboratory sorting technique. Three types of andesite railway ballast assemblies were tested experimentally: a fully compact, a fully non-compact and a mixed one. The mixed assembly had the highest internal friction angle which proves that it can be beneficial to mix grains with different types form. The amount of broken mass and the failure modes of the grains were also recorded, and it was found that the non-compact assembly had the highest rate of breakage. The results of the study also serve as a good basis for the calibration of numerical models.

Structural basis of the amidase ClbL central to the biosynthesis of the genotoxin colibactin.

Colibactin is a genotoxic natural product produced by select commensal bacteria in the human gut microbiota. The compound is a bis-electrophile that is predicted to form interstrand DNA cross-links in target cells, leading to double-strand DNA breaks. The biosynthesis of colibactin is carried out by a mixed NRPS-PKS assembly line with several noncanonical features. An amidase, ClbL, plays a key role in the pathway, catalyzing the final step in the formation of the pseudodimeric scaffold. ClbL couples α-aminoketone and β-ketothioester intermediates attached to separate carrier domains on the NRPS-PKS assembly. Here, the 1.9 Å resolution structure of ClbL is reported, providing a structural basis for this key step in the colibactin biosynthetic pathway. The structure reveals an open hydrophobic active site surrounded by flexible loops, and comparison with homologous amidases supports its unusual function and predicts macromolecular interactions with pathway carrier-protein substrates. Modeling protein-protein interactions supports a predicted molecular basis for enzyme-carrier domain interactions. Overall, the work provides structural insight into this unique enzyme that is central to the biosynthesis of colibactin.

Design for mixed model final assembly line (DfMMFAL): a new tool for assembly interface identification based on assembly process planning

Purpose This paper aims to fulfil a need to identify assembly interfaces from existing products based on their Assembly Process Planning (APP). It proposes a tool to identify assembly interfaces responsible for reused components integration. It is integrated into a design for mixed model final assembly line approach by focusing on the identification of assembly interfaces as a generic tool. It aims to answer the problem of interfaces’ identification from the APP. Design/methodology/approach A tool is developed to identify assembly interfaces responsible for reused component integration. It is based on the use of a rule-based algorithm that analyses an APP and then submits the results to prohibition lists to check their relevance. The tool is then tested using a case study. Finally, the resulting list is subjected to a visual validation step to validate whether the identified interface is a real interface. Findings The results of this study are a tool named ICARRE which identify assembly interfaces using three steps. The tool has been validated by a case study from the helicopter industry. Research limitations/implications As some interfaces are not contained in the same assembly operations and therefore, may not have been identified by the rule-based algorithm. More research should be done by testing and improving the algorithm with other case studies. Practical implications The paper includes implications for new product development teams to address the difficulties of integrating reused components into different products. Originality/value This paper presents a tool for identifying interfaces when sources of knowledge do not allow the use of current methods.

Assembly and analysis of the first complete mitochondrial genome of Punica granatum and the gene transfer from chloroplast genome.

Pomegranate (Punica granatum L.) is one of the oldest fruits with edible, medicinal and ornamental values. However, there is no report on the mitochondrial genome of pomegranate. In this study, the mitochondrial genome of P. granatum was sequenced, assembled and analyzed in detail, while the chloroplast genome was assembled using the same set of data. The results showed that the P. granatum mitogenome had a multi branched structure, using BGI + Nanopore mixed assembly strategy. The total genome length was 404,807 bp, with the GC content of 46.09%, and there were 37 protein coding genes, 20 tRNA genes and three rRNA genes. In the whole genome, 146 SSRs were identified. Besides, 400 pairs of dispersed repeats were detected, including 179 palindromic, 220 forward and one reverse. In the P. granatum mitochondrial genome, 14 homologous fragments of chloroplast genome were found, accounting for 0.54% of the total length. Phylogenetic analysis showed that among the published mitochondrial genomes of related genera, P. granatum had the closest genetic relationship with Lagerstroemia indica of Lythraceae. The 580 and 432 RNA editing sites were predicted on 37 protein coding genes of mitochondrial genome using BEDTools software and online website PREPACT respectively, but all were from C to U, of which ccmB and nad4 gene were most frequently edited, with 47 sites. This study provides a theoretical basis for understanding the evolution of higher plants, species classification and identification, and will also be useful for further utilization of pomegranate germplasm resources.

Review of Just-in-Time Material Distribution Scheduling for Mixed Flow Assembly Lines Considering Transfer Vehicle Handling Energy Consumption

In recent years, the automotive industry, which uses component assembly methods for production, has grown rapidly as the demand for new energy vehicles has increased. This trend has also led to an increasing number of customers seeking individualized options, which places greater demands on traditional OEMs' vehicle production and assembly processes. In order to meet these challenges, OEMs need to improve their platform production lines by replacing traditional single-product lines with mixed-flow assembly lines. With the development of industrial standards and technology, automated production lines and unmanned vehicles are also being used in assembly line production. Decisions around the scheduling of material distribution on the side of assembly lines with material supermarkets need to be addressed in terms of the start of handling time of the AGV (Automated Guided Vehicle) trolley and the number of loaded bins. This paper presents a review of the research on issues such as distribution patterns under mixed flow assembly lines, combined with the new material supermarket distribution model, and considering the energy consumption of transfer vehicles for handling.

Built On-orbit Robotically assembled Gigatruss (BORG): A mixed assembly architecture trade study.

This paper explores a mixed assembly architecture trade study for a Built On-orbit Robotically assembled Gigatruss (BORG). Robotic in-space assembly (ISA) and servicing is a crucial field to expand endeavors in space. Currently, large structures in space are commonly only deployable and must be efficiently folded and packed into a launch vehicle (LV) and then deployed perfectly for operational status to be achieved. To actualize being able to build increasingly large structures in space, this scheme becomes less feasible, being constrained by LV volume and mass requirements. ISA allows the use of multiple launches to create even larger structures. The common ISA proposals consist of either strut-by-strut or multiple deployable module construction methodologies. In this paper, a mixed assembly scheme is explored and a trade study is conducted on its possible advantages with respect to many phases of a mission: 1) manufacturing, 2) stowage and transport, 3) ISA, and 4) servicing. Finally, a weighted decision matrix was created to help compare the various advantages and disadvantages of different architectural schemes.

Effect of salt addition on a triblock copolymer-zwitterionic surfactant assembly: insight from excited-state proton transfer.

Copolymer-surfactant assemblies are frequently utilized across various fields, from medicine to nanotechnology. Understanding the organization of the mixed assemblies in a saline environment will further expand their application horizons, especially under physiological conditions. Excited-state proton transfer (ESPT) can provide insight into the hydration nature and organization of the non-toxic assembly of a triblock copolymer F127 (poly-(ethylene oxide)101 (PEO101)-poly(propylene oxide)56 (PPO56)-PEO101)) and a zwitterionic sulfobetaine surfactant N-dodecyl-N,N-dimethyl-3-ammoniopropane sulfonate (SB12). Here, we present a comprehensive investigation of the compactness and hydration nature of the F127-SB12 mixed assemblies at different salt concentrations using the ESPT of 8-hydroxy pyrene-1,3,6-trisulfonate (HPTS). In the absence of salts, gradual SB12 addition to a premicellar (0.4 mM) or a post-micellar (4 mM) F127 solution leads to an anomalous modulation of the protonated and deprotonated emission bands. The emission intensity ratio (protonated/deprotonated) first increases to a maximum at a particular SB12 concentration (6 mM and 35 mM for the premicellar and post-micellar F127 assemblies, respectively), and then the ratio decreases with a further increase in the surfactant concentration. Since the intensity ratio is an indicator of the retardation of the ESPT process, the mixed micellar configuration displaying a maximum intensity ratio represents the most compact and least hydrated state. Salt addition to this configuration lowers the intensity ratio, signifying an enhanced ESPT process. Dynamic light scattering (DLS) results indicate that the size of the mixed assembly remains almost unaltered with the addition of salts. Thus, salinity enhances the ESPT process inside the F127-SB12 mixed assemblies without significantly altering the hydrodynamic radius.

Exploring cationic polyelectrolyte-micelle interaction via excited-state proton transfer. Signatures of probe transfer.

Excited-state proton transfer (ESPT) is a sensitive tool for the delicate monitoring of structural reorganization, hydration level, and confinement within surfactant and polymer assemblies. Here, we investigate the interaction of a cationic polyelectrolyte, poly(diallyl dimethylammonium chloride) (PDADMAC), with micelles of differently charged surfactants using 8-hydroxypyrene-1,3,6-trisulfonic acid (HPTS) as an ESPT probe. We used three surfactants: anionic sodium dodecyl sulfate (SDS), cationic dodecyl trimethylammonium bromide (DTAB), and zwitterionic N-dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate (SB12), possessing the same alkyl (dodecyl) chain but varying headgroup charges. The fluorescence of HPTS residing initially within the micellar medium modulates differently in the presence of PDADMAC. For the anionic SDS and cationic DTAB micelles, the emission spectrum of HPTS does not alter significantly; however, for SB12 micelles, the emission spectrum undergoes a strong modulation upon adding the polyelectrolyte. The emission intensities quench strongly at a low concentration of PDADMAC but recover at a higher concentration. The emission intensity ratio of the two emission bands also changes significantly, implying strong modulation of the ESPT process with varying PDADMAC concentrations. The time-resolved area normalized emission spectra (TRANES) disclose single isoemissive points in the SB12 micelle at low and high concentrations of PDADMAC but two different isoemissive points (one characteristic of the SB12 micelle at 500 nm and another characteristic of the PDADMAC interface at 480 nm) in the mixed assembly at an intermediate concentration. Detailed analysis suggests that the polyelectrolyte can enforce the transfer of the anionic probe HPTS from the zwitterionic micelle to the PDADMAC assembly above a specific PDADMAC concentration. The transfer of the molecular probe between two assemblies resembles a drug sequestration event, and the study reveals necessary emission signatures.

Bayesian Estimation of Cross Section, Experimental Error, and Calculation Error: Comparison with Bias Factor Method

Assuming that the discrepancy between the experimental value and the calculation value comes from the cross section, experimental error, and calculation error, Bayesian estimation of the cross section and these errors were studied. Uncertainty of the discrepancy between the experimental value and the design value is discussed by comparing the present estimation and the bias factor method. Comparison of the formulas shows that the design value obtained by the bias factor method is consistent with that obtained by estimation of the cross section and calculation error of the target system. In addition, the uncertainty of the discrepancy between the experimental value and the design value can be reduced by considering a correlation of the experimental error between the mock-up experiment and the target system. A case study was performed using mixed oxide critical assembly benchmarks. The result shows that the experimental value of the target system can be accurately predicted by considering the cross section, experimental error, and calculation error.

Formation of supramolecular structures in aqueous medium by noncovalent interactions between surfactant and resorcin[4]arene

Self-assembly of molecular elements through non-covalent interactions plays a central role in supramolecular chemistry. The intermolecular interactions between macrocyclic and open-chain amphiphilic building blocks have been of large interest for last decade, since their mixed assembly is an example of building nanostructures by supramolecular bottom-up synthesis. Here we report that noncovalent interactions of viologen-based resorcin[4]arene cavitand with sodium dodecyl sulphate can enable self-assembly into highly-ordered supramolecular structures. A set of physicochemical methods was used to study the aggregation and binding properties of the supramolecular system based on these components. It was found that in this system the morphological transitions are observed depending on the ratio of the components of the system. The effectiveness of the mixed compositions as carriers for hydrophilic doxorubicin and hydrophobic antioxidants rutin and quercetin was evaluated, and a high loading efficiency of drugs and the ability to sustained release were found for the equimolar system. This study demonstrates features of such supramolecular structures, highlighting their potential applications in drug delivery.