Complex Process Research Articles

Enhancing antibacterial efficacy through macrocyclic host complexation of fluoroquinolone antibiotics for overcoming resistance

The use of supramolecular assemblies in pharmaceuticals has garnered significant interest. Recent studies have shown that the activities of antibacterial agents can be enhanced through complexation with cyclic oligomers and metal ions. Notably, these complexes sometimes possess greater therapeutic properties than the parent drugs. To develop microbiologically potent supramolecular drugs, the complexation of macrocyclic hosts with fluoroquinolone (FQ) antibiotics was investigated. FQs are a successful family of antibiotics that target the bacterial enzymes DNA gyrase and DNA topoisomerase IV, leading to bacterial cell death through the inhibition of DNA synthesis. However, antibiotic resistance resulting from the repeated use of FQs over time has limited their effectiveness against resistant pathogens. To overcome this issue, the encapsulation of FQs in polyphenolic macrocycles was investigated. This study highlights resorcinarene, a polyphenolic host with antibacterial properties, and its ability to chemically interact with FQs. The inclusion complexation process was analyzed using NMR and FTIR techniques. The binding constants determined by 1H-NMR titration revealed that levofloxacin forms more stable complexes with resorcinarene than with β-cyclodextrin, which aligned with MD simulations. Assessment of the geometric characteristics of the inclusion complexes using 2D NMR analysis confirmed that different moieties of various FQs can fit into a single host cavity and improve activity against gram-negative bacteria. Overall, these findings suggest that encapsulation in polyphenolic macrocycles is a promising strategy for utilizing FQs against antibiotic-resistant bacteria.

Realistic Simulation of Dissolution Process on Rock Surface

Hydraulic dissolution, driven by carbon dioxide-rich precipitation and runoff, leads to the gradual breakdown and removal of soluble rock materials, creating unique surface and subsurface features. Dissolution is a complex process that is related to numerous factors, and the complete simulation of its process is a challenging problem. On the basis of deep investigation of the theories of geology and rock geomorphology, this paper puts forward a method for simulating the dissolution phenomenon on a rock surface. Around the movement of water, this method carries out dissolution calculations, including processes such as droplet dissolution, water flow, dissolution, deposition, and evaporation. It also considers the lateral dissolution effect of centrifugal force when water flows through bends, achieving a comprehensive simulation of the dissolution process. This method can realistically simulate various typical karst landforms such as karst pits, karst ditches, and stone forests, with interactive simulation efficiency.

Phase behavior and synergistic gelation of scallop (Patinopecten yessoensis) male gonad hydrolysates and gellan gum driven by pH.

Previous studies have investigated complexation and coacervation of scallop Patinopecten yessoensis male gonad hydrolysates (SMGHs) and polysaccharides influenced by pH and blending ratio. It has been found that SMGHs/polysaccharide composite shows better gel properties under strongly acidic conditions. Thus, the complexation and coacervation of SMGHs and gellan gum (GG) were investigated via turbidimetric titration at different pH values (1-12) and biopolymer blending ratios (9.5:0.5-6:4). Both pHc and pHφ1 exhibited ratio-independent behavior with constant values at approximately pH 5.8 and pH 3.8, respectively, dividing SMGHs/GG blends into three phases named mixed polymers, soluble complexes and insoluble coacervates, respectively. Overall, SMGHs and GG exhibited synergistic gelation under neutral and acidic conditions, with the initial storage modulus (G') increasing by approximately 42.5-, 573.7- and 3421-fold and 97.7-, 550.3- and 0.5-fold, respectively, at pH 7, 5 and 3, compared with SMGHs and GG. As pH decreased from 7 to 3, the initial G' and viscosity η values of SMGHs/GG gels increased by 20.1- and 2.3-fold, respectively, exhibiting the greatest increase in gel strength. Moreover, the free water in the SMGHs/GG system significantly shifted toward lower relaxation times attributed to the immobilization of the outer hydration layers. SMGHs/GG gels in the insoluble phase exhibited denser networks and rougher surfaces, supporting the enhanced rheological properties and water retention capacity of the gel. This work provides a basic foundation for the development of pH-driven SMGHs/GG gelation by examining complexation and coacervation processes. © 2024 Society of Chemical Industry.

Spectral properties of tolan and its supramolecular complexes in solution and silicate hydrogel

The complexation process of tolane and α-cyclodextrin in water, aqueous-ethanol solution and silicate hydrogel based on tetrakis(2 hydroxyethyl)orthosilicate was studied. The complex formation in solutions were confirmed by electron and 1H NMR spectroscopy, and the stability constant of the complex was determined using spectrofluorimetric titration (lgK1:1 = 1.5). The preservation of the inclusion complex during the preparation of the gel was confirmed by electron spectroscopy.

Features of refeeding syndrome in pediatric intensive care unit patients (literature review)

Introduction. Restoration of nutrition in patients with nutritional deficiency hospitalized in intensive care units is a complex process due to the high risk of the development of refeeding syndrome. Refeeding syndrome is insufficiently studied in children not only with regard to pathogenesis and intensive care, but also with regard to its influence on the further development of the child.Materials and methods. A non-systematic review of literature sources was performed. Domestic publications were searched in the database on the eLibrary website, foreign publications were searched in PubMed, Google Scholar, Cophrane Library, Cyberleninka, ResearchGate databases in the period 2017–2024. 73 full-text publications describing risk factors, peculiarities of mechanisms of refeeding syndrome development in children, clinical picture and methods of intensive therapy were analyzed.Results. The review analyzed and systematized the stratified risk factors, peculiarities of pathogenesis and clinical picture of refeeding syndrome in children depending on developing metabolic disorders. The connection of refeeding syndrome on the progression of nutritional deficiency is shown. The main methods of intensive therapy, including nutritional support for patients with high-risk and developed refeeding syndrome are determined.Conclusion. Currently, there is no unambiguous definition and diagnostic criteria for refeeding syndrome in children. Timely intensive therapy in cases of refeeding syndrome development allows to correct nutritional deficiency, to increase the survival rate of patients, can influence further growth and development of the child.

TsRNA-00764 Regulates Estrogen and Progesterone Synthesis and Lipid Deposition by Targeting PPAR-γ in Duck Granulosa Cells.

Transfer RNA-derived small RNAs (tsRNAs) are novel regulatory small non-coding RNAs that have been found to modulate many life activities in recent years. However, the exact functions of tsRNAs in follicle development remain unclear. Follicle development is a remarkably complex process that follows a strict hierarchy and is strongly associated with reproductive performance in ducks. The process of converting small yellow follicles into hierarchal follicles is known as follicle selection, which directly determines the number of mature follicles. We performed small RNA sequencing during follicle selection in ducks and identified tsRNA-00764 as the target of interest based on tsRNA expression profiles in this study. Bioinformatics analyses and luciferase reporter assays further revealed that peroxisome proliferator-activated receptor-γ (PPAR-γ) was the target gene of tsRNA-00764. Moreover, tsRNA-00764 knockdown promoted estrogen and progesterone synthesis and lipid deposition in duck granulosa cells, while a PPAR-γ inhibitor reversed the above phenomenon. Taken together, these results demonstrate that tsRNA-00764, differentially expressed in pre-hierarchal and hierarchy follicles, modulates estrogen and progesterone synthesis and lipid deposition by targeting PPAR-γ in duck granulosa cells, serving as a potential novel mechanism of follicle selection. Overall, our findings provide a theoretical foundation for further exploration of the molecular mechanisms underlying follicle development and production performance in ducks.

Concept, content and structure of the phenomenon of professional adaptation of military servicemen to military service through physical training and sports

The article is devoted to the analysis of the concept, content and structure of professional adaptation of military personnel to military service using means of physical training and sports. It was determined that the professional adaptation of military personnel is a complex process that includes psychophysiological, social and professional components. Special attention is paid to the role of physical training and sports in ensuring the effective adaptation of servicemen to the conditions of service, in particular in the context of the formation of the necessary physical, moral and willpower qualities and professional skills. On the basis of a systemic approach, the main elements and stages of the adaptation process, as well as their interrelationship and influence on the general level of combat readiness of servicemen, are revealed. Means of physical training and sports play an important role in the professional adaptation of military personnel. They contribute to increasing physical endurance, strengthening health, developing mental stability and forming teamwork skills. Thus, the professional adaptation of military personnel is the result of the complex influence of physical, psychological and social factors. Means of physical training and sports are important tools that contribute to a successful adaptation process, providing recruits with not only physical strength, but also psychological readiness for service, as well as integration into the military team.

A novel strain-based bone-fracture healing algorithm is able to predict a range of healing outcomes

Fracture healing is a complex process which sometimes results in non-unions, leading to prolonged disability and high morbidity. Traditional methods of optimising fracture treatments, such as in vitro benchtop testing and in vivo randomised controlled trials, face limitations, particularly in evaluating the entire healing process. This study introduces a novel, strain-based fracture-healing algorithm designed to predict a wide range of healing outcomes, including both successful unions and non-unions. The algorithm uses principal strains as mechanical stimuli to simulate fracture healing in response to local mechanical environments within the callus region. The model demonstrates good agreement with experimental data from ovine metatarsal osteotomies across six fracture cases with varying gap widths and inter-fragmentary strains, replicates physiological bony growth patterns, and is independent of the initial callus geometry. This computational approach provides a framework for developing new fracture-fixation devices, aid in pre-surgical planning, and optimise rehabilitation strategies.

Conversion hip arthroplasty for failed nailing of intertrochanteric fracture: Reflections on some important aspects

In this editorial, I present my comments on the article by Solarino et al . Conversion hip arthroplasty, which is an optional salvage procedure performed following unsuccessful fixation of intertrochanteric femur fractures in elderly patients, entails more complex processes and higher rates of operative complications than primary arthroplasty. Hence, it is important to consider the appropriateness of the primary treatment choice, as well as the adequacy of nailing fixation for intertrochanteric fractures. This article briefly analyzes the possible factors contributing to the nailing failure of intertrochanteric fractures and attempts to find corresponding countermeasures to prevent fixation failures. It also analyzes the choice of treatment between nailing fixation and primary arthroplasty for intertrochanteric fractures.

Unraveling the developmental heterogeneity within the human retina to reconstruct the continuity of retinal ganglion cell maturation and stage-specific intrinsic and extrinsic factors.

Tissue development is a complex spatiotemporal process with multiple interdependent components. Anatomical, histological, sequencing, and evolutional strategies can be used to profile and explain tissue development from different perspectives. The introduction of scRNAseq methods and the computational tools allows to deconvolute developmental heterogeneity and draw a decomposed uniform map. In this manuscript, we decomposed the development of a human retina with a focus on the retinal ganglion cells (RGC). To increase the temporal resolution of retinal cell classes maturation state we assumed the working hypothesis that that maturation of retinal ganglion cells is a continuous, non-discrete process. We have assembled the scRNAseq atlas of human fetal retina from fetal week 8 to week 27 and applied the computational methods to unravel maturation heterogeneity into a uniform maturation track. We align RGC transcriptomes in pseudotime to map RGC developmental fate trajectories against the broader timeline of retinal development. Through this analysis, we identified the continuous maturation track of RGC and described the cell-intrinsic (DEGs, maturation gene profiles, regulons, transcriptional motifs) and -extrinsic profiles (neurotrophic receptors across maturation, cell-cell interactions) of different RGC maturation states. We described the genes involved in the retina and RGC maturation, including de novo RGC maturation drivers. We demonstrate the application of the human fetal retina atlas as a reference tool, allowing automated annotation and universal embedding of scRNAseq data. Altogether, our findings deepen the current knowledge of the retina and RGC maturation by bringing in the maturation dimension for the cell class vs. state analysis. We show how the pseudotime application contributes to developmental-oriented analyses, allowing to order the cells by their maturation state. This approach not only improves the downstream computational analysis but also provides a true maturation track transcriptomics profile.

Space to inculcate imagination in children through picture books

Imagination is a complex cognitive process that has been interpreted by different disciplines to define it and its functions. It is a process that draws from past experiences and socio-cultural influences to create new and innovative future outcomes. The pursuit of comprehending imagination has led to the understanding that it is a process that can be cultivated. This study focuses on ‘imagination’ as a concept that can be inculcated in children between the ages of two and six who are in their ‘high season of imagination’, a stage where they are most receptive to the growth of their imagination. Out of alternative media options, it was noted that there is a space to cultivate imagination in children of this age group via picture books. The importance of this medium is evident, as proven by numerous experts, specifically concerning how picture books can be designed to provoke imaginative inculcation. Therefore, this research aims to explain how imagination can be inculcated in children through picture books. This aim is accomplished through a literature review of three cases representing picture book practitioners, writers, and academics. The methodology was conducted in three parts. The first was a content analysis through index cards and annotations. Subsequently, a thematic analysis of literature content through tabulation was performed, followed by a final overall analysis. The results of this study identify five key picture book elements that should be taken into consideration during the creation of picture books to inculcate imagination in children. These five are: (1) Role of picture books, (2) The writing component, (3) Characterisation, (4) Location, situation, and setting, and (5) Layout. Future studies can take this outcome by utilising the five elements to analyse picture books within any context.

Kernel-Based Versus Tree-Based Data-Driven Models: On Applying Suspended Sediment Load Estimation

River sediment load estimation poses a critical challenge for water engineers due to its complex and nonlinear hydrological processes. This study assessed the amount of suspended sediment at the Bagh-e-Kalayeh hydrometric station on the Alamut River in the Qazvin province of Iran using two hydrological and meteorological variables, including discharge and rainfall, by considering three scenarios (discharge, discharge + monthly rainfall, and discharge + monthly rainfall + daily rainfall). For modeling, kernel-based data-driven methods, including Gaussian process regression (GPR) and support vector regression (SVR), and tree models, including the M5 tree, random forest (RF), random tree (RT), extra trees, reduced error pruning tree (REPT), and multi-search methods, were used. The results showed that the best performance was achieved by the SVR, with r = 0.948, Wilmot index = 0.965, and RMSE = 0.011 in the first scenario (only discharge). Discharge had the most significant impact on sediment estimation compared to rainfall. It was determined that the suspended sediment load in the Alamut River can be successfully estimated by the SVR method, where only the discharge was used as the input parameter. Additionally, the results indicated that given its characteristics and inherent features, the multi-search method can be used as a complementary approach in sediment modeling, especially in situations where the data volume is not extensive.

Acceleration of Numerical Modeling of Uranium In Situ Leaching: Application of IDW Interpolation and Neural Networks for Solving the Hydraulic Head Equation

The application of In Situ Leaching (ISL) has significantly boosted uranium production in countries like Kazakhstan. Given that hydrodynamic and chemical processes occur underground, mining enterprises worldwide have developed models of reactive transport. However, modeling these complex processes demands considerable computational resources. This issue is particularly significant in the context of numerical analyses of mining processes or when modeling production scenarios in uranium mining by the ISL technique, given that a substantial portion of computational resources is allocated to solving the hydraulic head equation. This work aims to explore the applicability of PINNs to accelerate hydrodynamic simulations of the ISL process. The solution of the Poisson equation is accelerated by generating an initial approximation for the iterative method through the application of the Inverse Distance Weighting (IDW) interpolation and PINNs. The impact of various factors, including the computational grid and the spacing between wells, on both the accuracy and efficiency of initial approximation and the overall solution of the elliptic equation are explored. Employing the hydraulic head distribution obtained through PINNs as the initial approximation led to a significant reduction in computation time and a decrease in the number of iterations by a factor of 2.8 to 7.10.

The dual timescales of gait adaptation: Initial stability adjustments followed by subsequent energetic cost adjustments.

Gait adaptation during bipedal walking allows people to adjust their walking patterns to maintain balance, avoid obstacles, and avoid injury. Adaptation involves complex processes that function to maintain stability and reduce energy expenditure. However, the processes that influence walking patterns during different points in the adaptation period remain to be investigated. We recruited seventeen young adults ages 19-35 to assess split-belt adaptation. We also assessed individual aerobic capacity to understand how aerobic capacity influences adaptation. We analyzed step lengths, step length asymmetry (SLA), mediolateral margins of stability, positive, negative, and net mechanical work rates, as well as metabolic rate during adaptation. We used dual-rate exponential mixed-effects regressions to estimate the adaptation of each measure over two timescales. Our results indicate that mediolateral stability adapts over a single timescale in under 1 minute, while mechanical work rates, metabolic rate, step lengths, and step length asymmetry adapt over two distinct timescales, ranging from 3.5 to 11.2 minutes. We then regressed mediolateral margins of stability, net mechanical work rate, and metabolic rate on step length asymmetry during early and late adaptation phases to determine if stability drives early adaptation and energetic cost drives late adaptation. Stability predicted SLA during the initial rapid onset of adaptation, and mechanical work rate predicted SLA during the latter part of adaptation. These findings suggest that stability optimization may contribute to early gait changes and that mechanical work contributes to later changes during adaptation. A final sub-analysis assessed the effect of aerobic capacity on step length asymmetry adaptation. Aerobic capacity levels below 36 and above 43 ml/kg/min resulted in greater adaptation, underscoring the metabolic influences on gait adaptation. This study illuminates the complex interplay between biomechanical and metabolic factors in gait adaptation, shedding light on fundamental mechanisms underlying human locomotion.

Investigating the role of starch in the structuring of meat alternatives from mung bean and pea protein isolates via heat-induced gelation

IntroductionThe structuring of plant-based meat alternatives is a complex process which is highly dependent on qualitative and quantitative proportion of different ingredients. In the present study, starch, protein, and oil concentrations were optimized for the formulation of meat alternative (MA) using response surface methodology (RSM).MethodsProtein isolates of mung bean and pea protein, & corn starch were used along with sunflower oil to formulate meat alternatives using heat-induced gelation. The protein functionality of mungbean protein isolate (MBPI) and pea protein isolate (PPI) were analyzed. In addition, the effects of constituent composition on the physicochemical properties of meat alternatives were studied using RSM.ResultsThe protein content exhibited an elevation with increased levels of MBPI and PPI in 15:15 ratio. Moisture and hardness were chiefly influenced by oil content, as they displayed a decline with increasing oil levels. The color (L*) was principally affected by starch and oil, where the L* reduced with increasing levels of both variables. Springiness was influenced by the interaction of protein ratio (MBPI:PPI) and starch, as it showed a lowest value at the lowest level of protein and the highest level of starch. Chewiness was influenced by the interaction of hardness and springiness. The microstructure analysis showed dense protein matrix in the meat alternative.DiscussionOverall, the study shows that starch facilitated the structuring of meat alternative formulated using MBPI and PPI which could be utilized as potential materials for enhanced textural properties of the meat alternatives.

Placental microphysiological systems: new advances on promising platforms that mimic the microenvironment of the human placenta.

One of the most complex human physiological processes to study is pregnancy. Standard animal models, as well as two-dimensional models, lack the complexity and biological relevance required to accurately study such a physiological process. Recent studies have focused on the development of three-dimensional models based on microfluidic systems, designated as placental microphysiological systems (PMPSs). PMPS devices provide a model of the placental barrier through culturing relevant cell types in specific arrangements and media to mimic the in vivo environment of the maternal-fetal circulation. Here, recent developments of PMPS models for embryo uterine implantation, preeclampsia evaluation, and toxicological screening are presented. Studies that use bioprinting techniques are also discussed. Lastly, recent developments in endometrium microphysiological systems are reviewed. All these presented models showed their superiority compared to standard models in recapitulating the biological environment seen in vivo. However, several limitations regarding the types of cells and materials used for these systems were also widely reported. Despite the need for further improvements, PMPS models contribute to a better understanding of the biological mechanisms surrounding pregnancy and the respective pathologies.

Important practical aspects in the management of patients with shot bowel syndrome and intestinal failure

Short bowel syndrome is a gastrointestinal disorder resulting from massive resection of the small intestine. The most common causes of resection are acute mesenteric ischemia, Crohn’s disease, abdominal trauma, adhesive intestinal obstruction, intestinal malignancies, and radiation enteritis. Short bowel syndrome with intestinal failure is characterized by severe malabsorption-m aldigestion accompanied by abdominal pain, diarrhea, dehydration, and progression of protein-energy malnutrition. Many patients with SBS develop long-term clinical complications over time due to altered bowel anatomy and physiology or various therapeutic interventions such as parenteral nutrition and central venous catheterization. This review focuses on the most important aspects of diagnosis, treatment, and prevention of several complications that can occur in this patient population, including macronutrient and micronutrient imbalances, diarrhea, fluid and electrolyte imbalances, metabolic bone disease, biliary disorders, bacterial overgrowth in the small intestine, and complications related to venous access. The main therapeutic strategies for SBS with intestinal failure are: special diet, enteral nutritional support with semi-elemental mixtures, parenteral nutrition, oral rehydration, antimicrobal and antidiarrheal drugs, enzymes. Administration of glucagon-like peptide 2 analog, teduglutide, is clinically effective in reducing dependence on parenteral nutrition and improving quality of life. Management of patients with SBS with intestinal failure is a complex long-term process which requires dynamic clinical and laboratory monitoring.

Insight into a new perspective on the complex propagation processes in networks: dynamic link equations

Insight into the spread of epidemics under different transmission mechanisms in networks has long been an important research question in the field of complex network dynamics. Currently, under simple transmission mechanisms, our analysis of the dynamic processes in networks starts only from the node level, considering the scale of infected nodes in the network. However, the information provided by this lowest-order approach to considering dynamic processes in networks is very limited. Most importantly, it is not applicable to the analysis of dynamic processes in networks under more common complex transmission mechanisms, as it neglects the interactions between nodes. Therefore, in this article, we propose a set of closed link dynamic equations to gain insight into complex propagation processes from a microscopic perspective. Fundamentally, we have developed a set of analytical tools for analyzing complex dynamic behaviors at the link level, enabling us to reexamine the complex dynamic processes on networks from a higher-order perspective. Additionally, we apply the proposed analytical framework to complex SIS epidemiological models on two real and synthetic networks, and extensive numerical simulation results demonstrate the feasibility and effectiveness of the proposed method.

UNDER THE INFLUENCE OF THE INDUSTRIAL REVOLUTION: A RETROSPECTIVE ANALYSIS

The article is intended to analyze the cyclicality of the development of construction, caused by fundamental qualitative changes in the basic generations of equipment, machines, technologies, vehicles and large structures in the leading sectors of the economy, i.e. industrial revolutions. The first industrial revolution created the organizational-economic, scientific-technical and institutional prerequisites for a conceptual rethinking of the principles and norms of construction and brought to life the pre-monopolist-industrial model of the construction sector (Construction 1.0). Its main feature was the active use of metal elements (cast iron, wrought iron, steel), glass, concrete and reinforced concrete in construction production. The industrial-extensive model of Construction 2.0 covers the period from the beginning of the 20th century. until the end of the 1960s and coincides with the Second Industrial Revolution. This model is distinguished by large-scale processes of territorial and spatial concentration of construction based on the accumulation of means of production, labor and capital investments in large construction organizations and complex processes of industrialization of the construction sector. From the first half of the 1970s to the first half of the 2000s, the energy-efficient construction model (Construction 3.0), brought to life by the Third Industrial Revolution, prevails in the world. This period is characterized by the systematic orientation of construction production to the optimization of thermal energy provision of objects, the rationalization of the processes of using energy resources at all stages of the construction and production process, and the minimization of the level of consumption of energy and material resources. Today, marked by the unfolding of the Fourth Industrial Revolution, is characterized by the global development of an ecosystem-type green construction model (Construction 4.0) – an environmentally responsible and resource-saving process of social reproduction of construction products. This model is based on deep integration of green and digital transition technologies and is ensured by large-scale digitization of construction works.

Retrofitting sustainable drainage systems in UK schools: assessing the impacts and challenges

Sustainable drainage systems (SuDS) mimic natural processes to manage stormwater runoff close to its source, encouraging infiltration, attenuation and passive treatment. SuDS can be used to mitigate flooding and provide increased climate resilience while simultaneously delivering amenity, biodiversity and economic benefits to local communities. Retrofitting SuDS is a complex process requiring a detailed understanding of localised and catchment-wide drainage issues, and necessitates extensive buy-in from multiple stakeholders. Mutual understanding and recognition of the benefits of SuDS retrofit opportunities is critical to their implementation and success. This paper appraises the key benefits and challenges of SuDS retrofit within schools. A qualitative and quantitative assessment using case studies from over 50 completed SuDS retrofit projects within schools across the UK, for a variety of clients, was conducted. Through implementation of these solutions, hydraulic models have demonstrated a reduction in peak flow rates of up to 87%, providing flood alleviation to the schools’ wider catchments and demonstration that SuDS can be used to provide reductions to combined sewer overflow spills. Barriers to implementation may be minimised by ensuring a client’s aims are fully understood and achievable, combined with a focus on stakeholder engagement throughout the decision-making process.