Preliminary Evaluation Research Articles

Positive family connections for families of children with a developmental disability: Cluster randomized controlled trial.

Positive Family Connections is a coproduced, positively oriented, family-systems program for families of children with a developmental disability aged 8-13 years. The study was a feasibility cluster randomized-controlled trial which was registered prospectively (International Standard Randomised Controlled Trial Number 14809884). Families (clusters) were randomized 1:1 to take part in Positive Family Connections immediately or to a waitlist condition and were followed up 4 months and 9 months after randomization. Feasibility outcomes included participant and facilitator recruitment rates, retention, intervention adherence, and fidelity. The proposed primary outcome measure was the family APGAR, a measure of family functioning. Quantitative data were analyzed using multilevel modeling. Sixty families (60 primary parental carers and 13 second carers) were randomized. 73.33% of primary parental carers and 71.43% of second carers in the intervention group attended ≥ 4 intervention sessions, and fidelity of delivery was high (M = 94.02% intervention components delivered). Retention for the proposed primary outcome was 97.26% at 4-month follow-up and 98.63% at 9-month follow-up. Intervention condition was not associated with family APGAR scores at 9-month follow-up (estimate = 0.06, 95% CI [-0.49, 0.61], p = .86, Hedges' g = 0.03, 95% CI [-0.43, 0.49]). However, meaningful improvements were observed for other secondary outcomes related to parental well-being and family relationships. A definitive randomized-controlled trial of Positive Family Connections is feasible. Preliminary evaluation of outcomes shows that Positive Family Connections may be beneficial for parental psychological well-being and family relationships. (PsycInfo Database Record (c) 2024 APA, all rights reserved).

Feasibility and practicality of a simulated placement: an exploratory pilot of a novel training method for postgraduate psychology students in the wake of COVID-19

ABSTRACT Objective In 2020, COVID-19 caused a drastic interruption to face-to-face postgraduate psychology placements in Australia, prompting the development of a simulated placement. This pilot project represents a preliminary evaluation of the program by exploring the feasibility of a simulated placement as a novel training modality for competence development in postgraduate psychology training. Method Students enrolled in a simulated postgraduate psychology placement in 2021 completed an online survey at the end of the placement. Acceptability, perceived competency and experience of the placement were assessed. Chi-square goodness of fit tests were used to evaluate the difference between rates of completion and the length of time it took to complete placement requirements between students enrolled in face-to-face placements in 2019 and 2020, and the simulated placement in 2021. Results The results showed an increase in proportion of students who completed the simulated placement than previous face-to-face placements and that students were able to complete training and meet competence in shorter time frames. Students reported increased psychological competency and confidence to practice at the completion of the simulated placement. Conclusions A simulated psychology placement is a novel teaching modality that may be feasible in the development of perceived psychological competence and confidence in postgraduate psychology students.

Keeping Early Social-Emotional Learning Developmental: The Development, Implementation, and Preliminary Evaluation of a Preventive Intervention Program for Early Childhood Education and Care

Early childhood forms the fundamental basis for developing various social-emotional skills and represents a unique opportunity to lay the foundation for healthy development. Insensitive learning environments in early childhood may lead to social-emotional difficulties, increasing the risk of developing severe behavioral problems. However, professional development (PD) opportunities that support early childhood education professionals’ (ECEPs) knowledge and skills to promote young children’s social and emotional development are scarce. In Finland, notably, the increasing need to enhance competence through further training has been widely recognized. Therefore, this study introduced the POMPedaSens program in early childhood education and care (ECEC) in Finland. The program aims to promote children’s social-emotional learning (SEL) by supporting ECEPs’ engagement and emotional availability. As a universal intervention program, POMPedaSens includes all children in ECEC regardless of risk factors. The present study included 200 children (MAGE = 72.27 months, SD = 5.48; 53% girls) and 62 ECEPs (MAGE = 43.82 years, SD = 11.71; 95% female). ECEPs received the intervention training to implement the curriculum in their everyday daycare routine. The present study describes the program design, implementation, and results from a preliminary evaluation of the social validity of the POMPedaSens program, measured by the ECEPs’ satisfaction with the program. The results of the social validity evaluation suggested high teachers’ satisfaction and improved children’s SEL. These findings prove that the program may effectively build ECEPs’ capacity to promote children’s SEL.

Numerical Evaluation of Aircraft Aerodynamic Static and Dynamic Stability Derivatives by a Mid-Fidelity Approach

The present study aimed to investigate the capability of mid-fidelity aerodynamic solvers in performing a preliminary evaluation of the static and dynamic stability derivatives of aircraft configurations in their design phase. In this work, the mid-fidelity aerodynamic solver DUST, which is based on the novel vortex particle method (VPM), was used to perform simulations of the static and dynamic motion conditions of the Stability And Control CONfiguration (SACCON): an unmanned combat aerial vehicle geometry developed by NATO’s Research and Technology Organisation (RTO), which is used as a benchmark test case in the literature for the evaluation of aircraft stability derivatives. Two different methods were exploited to extract the dynamic stability derivative values from the aerodynamic coefficient time histories that were calculated with DUST. The results for the mid-fidelity approach were in good agreement with the obtained experimental data, as well as with the results obtained using more demanding high-fidelity CFD simulations. This demonstrates its suitability when implemented in DUST for predicting the static and dynamic behavior of airloads in different conditions, as well as in reliably predicting the values of stability derivatives, with the advantage of requiring limited computational effort with respect to classical high-fidelity numerical approaches and the use of wind tunnel tests.

FORMULATION AND EVALUATION OF SUSTAINED-RELEASE FLOATING MATRIX TABLETS OF VALGANCICLOVIR HYDROCHLORIDE

Objective: The present study aimed to formulate and evaluate the formulated sustained-release floating matrix tablets of valganciclovir hydrochloride to produce a stable and bioavailable dosage form. Methods: The tablets were prepared using hydrophilic and hydrophobic polymers such as ethyl cellulose, Hydroxy-propyl methylcellulose (HPMC), and Povidone. The formulations were subjected to evaluation characteristics such as drug content, hardness, friability, floating lag time, total floating time, and In vitro drug dissolution studies. Results: The formulation composition and method of manufacturing are novel for this particular active moiety and robustness was assessed using a central composite design. All the formulation trials exhibited more than 90% of drug release in 12 h duration, with a floating lag time of more than 11 h, and drug content was found more than 90% across the batches. The hardness and friability profiles were found to be uniform across the batches. The preliminary evaluation confirms the received drug is pure and FTIR results show that the drug and excipients are compatible. The hardness and friability profiles were found consistent across the batches. All the formulation trials of central composite design have shown more than 90% of drug release in 12 h duration, with a floating lag time of more than 11 h, and drug content was found more than 90% across the batches. Conclusion: The formulated valganciclovir hydrochloride sustained release floating matrix tablets showed an increased GRT with a sustained release for 12 h, thereby allowing a better window for absorption and consequently improving the drug's therapeutic effect.

Bioactivity and chemical screening of endophytic fungi associated with the seaweed Ulva sp. of the Bay of Bengal, Bangladesh

Abstract Several studies have shown that endophytic fungal metabolites possess vital biological activities; nevertheless, there is a lack of knowledge regarding the medicinally important marine endophytic fungi associated with the seaweeds mainly found in the Bay of Bengal, Bangladesh. In this study, six endophytic fungi, belonging to five genera and four classes, were isolated from the well-known chlorophyte, Ulva sp. and were most closely related to Chaetomium globosum, Nigrospora magnoliae, Curvularia sp., Curvularia moringae, Aspergillus terreus and Collariella sp. This is the first report of these fungi as endophytes associated with Ulva sp. from the Bay of Bengal, Bangladesh. A preliminary biological evaluation of the ethyl acetate extract of each endophytic fungal crude extract was the prime objective of this research, e.g., antimicrobial assay, 2,2-diphenyl-1-picrylhydrazyl free radical scavenging activity and brine shrimp lethality bioassay. Evaluation of test results revealed that each fungal crude extract possessed one or more relevant biological activities. Preliminary chemical screening using TLC and NMR spectroscopic analysis revealed the presence of several secondary metabolites in the crude fungal extracts. These findings suggest that the marine endophytic fungus may be a valuable source for investigating potentially bioactive chemicals or leads for novel drug candidates.

Preliminary evaluation of a novel group-based motivational interviewing intervention with adolescents: a feasibility study.

Drinking is closely intertwined with social life among many adolescents, particularly in Europe. Group-based interventions, such as group-based motivational interviewing (group MI), have shown the capacity to prevent and reduce hazardous drinking and related problems among adolescents, but few examinations have been conducted in a European high school setting. This study examines the preliminary outcomes of a pilot group MI intervention among Danish adolescents. High school students (ages 15-18 years) were randomly allocated to two 1-h group MI sessions delivered in a school setting (N = 65) or an assessment only control condition (N = 67). Data were collected in August and November 2020 using online self-administrated questionnaires regarding the acceptability of the intervention and past month alcohol use. The pilot group MI intervention showed high feasibility and acceptability in this setting and with this age group. Group MI adolescents significantly reduced peak drinks per drinking day compared to assessment only adolescents (-2.7 drinks, p < 0.05). Results are discussed in relation to the metrics being evaluated during COVID-19 lockdown, including increased social restrictions at follow-up compared to baseline. Group MI shows promise for reducing hazardous alcohol use among Danish adolescents. In addition, the findings indicate the importance of building on and extending this work in future larger, better-powered randomized controlled trials.

A Preliminary Evaluation of Advanced Oxidation Protein Products (AOPPs) as a Potential Approach to Evaluating Prognosis in Early-Stage Breast Cancer Patients and Its Implication in Tumour Angiogenesis: A 7-Year Single-Centre Study.

Breast cancer (BrC) is a highly prevalent tumour among women. The high incidence and mortality rate of BrC prompts researchers to search for new markers that will provide information on the possible impact of the therapy on the risk of cancer-related events. This study aimed to investigate whether the level of advanced oxidation protein products (AOPPs) may have a potential impact on disease-free (DFS) and overall survival (OS) in BrC patients with early-stage cancer. Additionally, we tried to assess the relationship between AOPPs and angiogenic parameters. In this study, the pre- and post-treatment AOPP levels were examined in the serum of 70 newly diagnosed BrC women. The receiver operating characteristic curve identified pre- and post-treatment AOPPs to be above 9.37 μM and 10.39 μM, respectively, as the best cut-off values to predict the risk of cancer relapse. Additionally, Kaplan-Meier survival analysis indicated that pre- and post-treatment AOPPs above 9.37 μM and 10.39 μM were associated with significantly poorer OS. The uni- and multivariate Cox regression analysis highlighted that lower levels of pre- and post-treatment AOPPs were associated with a longer duration without relapse or cancer-related death. A positive correlation between concentrations of pre-treatment AOPPs and vascular endothelial growth factor A, and negative correlations with levels of soluble forms of vascular endothelial growth factor receptor type 1 and 2, were found. In conclusion, AOPPs appear to have an important role in predicting cancer-related events and may potentially serve as a simple prognostic marker in clinical practice.

A Smartphone-Gamified Virtual Reality Exposure Therapy Augmented With Biofeedback for Ailurophobia: Development and Evaluation Study.

To the best of our knowledge, no specialized research has been conducted to address ailurophobia (fear of cats) in Iran or globally. This has driven our project, along with the prevalence of ailurophobia and the absence of a gamified virtual reality exposure therapy (VRET) that incorporates affordable and easily accessible biofeedback (BF) tools. We hypothesize that a gamified VRET augmented with BF will yield more positive effects than a similar device lacking BF. This study primarily focuses on the development and preliminary evaluation of a smartphone-gamified VRET integrated with BF, targeting animal phobia, with a specific case study on ailurophobia. The secondary objectives are using affordable and readily available BF found in devices such as smart bands and smartwatches and creating a mobile virtual reality gamified app to improve patients' adherence to treatments while simultaneously enhancing the app's accessibility, scalability, and outreach. Evaluations encompassed 3 methods. First, we identified the tool's potential positive effects on phobia interventions, exploring 4 effects: intrinsic motivation, simulation of fearful situations, management of stressful circumstances without therapists' presence and mitigation of catastrophic thoughts, and preliminary effects on ailurophobia treatment. Participants were divided into BF and non-BF groups. Second, we gathered user preferences and opinions about the treatment. Third, we conducted heuristic evaluations using 44 heuristics from existing system usability scales assessing user interfaces, virtual reality platforms, and video games' playability. To interpret the data, mean scores; ANOVA, single factor; and ANOVA, 2-factor with replication were used. A total of 29 individuals were identified, of which 10 met the eligibility criteria or were accessible. The smartphone-gamified VRET augmented with BF exhibited better results on the identified effects compared with the non-BF version and contributed to normalizing encounters with cats. Moreover, 41 of the 44 heuristics achieved a percentage above 62%, indicating its potential as a therapeutic product and its ability to enhance patient adherence to treatments. Patient preferences on the treatment and its strengths and weaknesses were provided for further improvement. The tool has the potential to evolve into a comprehensive solution by incorporating various types of cats and their behaviors, simulating environments in which they are commonly found, and enhancing its appeal through an increased sense of adventure without inducing unrealistic fears. By adapting fear elements, the game can be tailored to treat various animal phobias. Phobia-focused games should avoid action and combat scenarios to prevent reinforcement of fear responses. After rigorous evaluation, further exploration is required to provide remote use beyond clinical settings.

Assessing the Groundwater Quality and Hydrogeochemical Characteristics of Karst Aquifers in Kinta Valley, Perak

The rich karstic limestone aquifer in Kinta Valley, Perak is a potential resource of clean water in the future when the surface water resources will deplete and insufficient to support the growing population. A proper preliminary evaluation of groundwater hydrogeochemistry is essential for knowing the proper application and maintaining the available groundwater as a sustainable resource. Four production wells in Kinta Valley are sampled and analyzed for physicochemical parameters from 2018 to 2020. In this study, major chemical compounds, pH, total hardness (TH), and total dissolved solids (TDS) are interpreted to construct Piper’s trilinear diagram and Gibbs plot which describe the hydrochemistry of the samples. Drinking Water Quality Standard from the Ministry of Health Malaysia (MOH) and the United States Environmental Protection Agency (US EPA) National Primary Drinking Water Regulation is used as guideline standards for water quality evaluation. Based on the results from this study, the quality of groundwater in Kinta Valley is healthy and has the potential to be used as drinking water besides using as irrigation water. The predominant hydrochemical reaction of the groundwater is found to be a bicarbonate-calcium-magnesium reaction, which shows the aquifers are in contact with the subsurface karst system as the main ions originated from the dissolution of carbonate bedrocks.

Abstract A032: Preliminary evaluation of sleep-related patient-reported outcomes (pros), morningness-eveningness chronotype, &amp; objective sleep measures using smart wearables in a primary brain tumor patient population

Abstract Introduction: Sleep is vitally important for the improvement of cancer outcomes, but evaluation of sleep in the primary brain tumor (PBT) population is limited. This analysis aims to provide preliminary data on the consistency/reliability of sleep-related patient-reported outcomes (PROs) and to assess sleep symptom severity with both PROs and objective sleep measurements. Methods: PBT patients ³ 18 years wore a Fitbit smart-wearable device for 4 weeks, which captured objective sleep measures (total sleep time, sleep latency, nap odds/number/duration, and wake after sleep onset (WASO)). The Morningness-Eveningness Questionnaire (MEQ) was completed at baseline, PROMIS Sleep-Related Impairment (SRI) and Sleep Disturbance (SD) Short-Forms were completed at baseline and at the end of the study, and daily sleep diaries were done during the final week. Descriptive statistics were used to describe patient demographics/clinical characteristics, Cronbach’s alpha to test consistency, McNemar’s tests for change in PRO severity, and Pearson’s correlations for relationships between PROs and objective sleep measures at week 1 and week 4. Results: 54 patients (median 46 years (24-71), 56% male, 85% white non-Hispanic, 81% KPS ≥ 90) completed the study. Most had anaplastic astrocytoma (20%) or glioblastoma (17%), had received radiation therapy (83%), had prior tumor recurrence (32%), and were not on active treatment (80%) during the study. PROMIS SRI/SD and MEQ were all consistent and reliable (Cronbach’s alpha 0.74-0.92). Fifty-six percent of patients had an intermediate sleep chronotype, 35% moderate-morning, 4% definite-morning, and only 6% moderate-evening (0% definite-evening). Moderate-severe SD and SRI were reported in 13% and 17% at baseline, and 4% (p=0.06) and 13% (p=0.69) at study exit. Co-occurrence of SD and SRI decreased from 11% to 2% (p=0.06). Fitbit-recorded measures showed a correlation at week 4 between WASO and SD (r=0.35, p=0.009), and a trend with SRI (r=0.24, p=0.08). Conclusions: This investigation shows initial evidence that sleep-related PROs are consistent and reliable in PBT patients, &amp;gt;10% of participants had significant SD and SRI, and the majority had intermediate and morningness chronotypes. Surprisingly, significant improvement in SD was reported during the study, which may be related to increased awareness of sleep patterns by the participants. Lack of sleep improvement (high SD/SRI) was associated with increased WASO, suggesting greater sleep fragmentation and potentially greater circadian vs. homeostatic sleep drive dysregulation in this population, warranting further investigation. Citation Format: Maeve M. Pascoe, Elizabeth Vera, Hope Miller, Alex Wollet, Dorela Shuboni-Mulligan, Amanda L. King, Terri S. Armstrong. Preliminary evaluation of sleep-related patient-reported outcomes (pros), morningness-eveningness chronotype, &amp; objective sleep measures using smart wearables in a primary brain tumor patient population [abstract]. In: Proceedings of the AACR Special Conference on Brain Cancer; 2023 Oct 19-22; Minneapolis, Minnesota. Philadelphia (PA): AACR; Cancer Res 2024;84(5 Suppl_1):Abstract nr A032.

Preliminary study on cartilage tissue evaluation based on longitudinal and shear wave speeds

Knee osteoarthritis is a serious disease in an aging society, and as there is currently no fundamental treatment, early diagnosis is extremely important. Cartilage is often modeled as a poroelastic body with a deformable solid matrix saturated with fluid or water, and its water retention capacity is assessed by the changes in the fluid content within the poroelastic body over time. Therefore, in this study, we focused on Poisson’s ratio as an evaluation index for fluid content. A speed-of-sound measurement method using the subchondral bone as a reflector is proposed, and Poisson’s ratio is calculated by combining the speed of sound measured using the aforementioned method with the shear wave speed measured using the time-of-flight method. As a preliminary cartilage evaluation study, we attempted to estimate the Poisson’s ratio of a cartilage phantom. As a result, the fluid content and Poisson’s ratio of the phantom showed a high correlation.

A dot-blot ELISA preliminary evaluation using PvMSP1-42 recombinant protein as antigen for serological diagnosis of Plasmodium vivax infection in Thailand.

Plasmodium vivax is the most prevalent cause of malaria in Thailand and is predominant in malarial endemic areas worldwide. P. vivax infection is characterized by low parasitemia, latent liver-stage parasites, or asymptomatic infections leading to underreported P. vivax cases. These are significant challenges for controlling and eliminating P. vivax from endemic countries. This study developed and evaluated a dot-blot enzyme-linked immunosorbent assay (ELISA) using PvMSP1-42 recombinant antigen for serological diagnosis based on the detection of antibodies against P. vivax. The optimal PvMSP1-42 concentration and dilutions of anti-human IgG horseradish peroxidase (HRP)-conjugated antiserum were tested on 88 serum samples from P. vivax, Plasmodium falciparum and bacterial infection, including healthy individuals. A cut-off titer of 1:800 produced optimal values for sensitivity and specificity of 90.9 and 98.2%, respectively, with an accuracy of 95.5%. The positive and negative predictive values were 96.8 and 94.7% respectively. The results from microscopic examination and dot-blot ELISA showed strong agreement with the 0.902 kappa index. Thus, the dot-blot ELISA using PvMSP1-42 antigen provided high sensitivity and specificity suitable for serodiagnosis of P. vivax infection. The test is a simple and quick diagnostic assay suitable for field testing as it does not require specific equipment or particular skills.

Preliminary Evaluation of Phytochemical and Proximate Composition of Isoberlinia doka Craib &amp; Stapf

Preliminary Evaluation of Phytochemical and Proximate Composition of Isoberlinia doka Craib &amp; Stapf

Development of an evaluation indicator for highway climate change adaptation projects based on analytical hierarchy process in South Korea

AbstractOwing to climate change, abnormal climate phenomena occur frequently, damaging aging highway facilities. Therefore, it is necessary to develop adaptation projects for highway systems. Adaptation projects focus on mitigating the impact of climate change on highway facilities and enabling safe use. The present study aims to develop quantified evaluation indicators that are necessary for planning and selecting appropriate climate change adaptation projects. By analysing previous studies, the most important factors to be considered in the evaluation process of climate change adaptation projects were defined, and 20 preliminary evaluation indicators were divided into three layers. A feasibility study for each class was performed on the preliminary evaluation indicators by an expert panel; 16 evaluation indicators were selected through a feasibility study, and the weight of each indicator was calculated using the analytical hierarchy process (AHP) method. The priority of the evaluation indicators was service improvement through adaptation projects (weight 8.76), cost reduction and job creation (weight 8.46), and climate change impact reduction and vulnerability reduction (weight 8.31). These quantified evaluation indicators can help organizations that manage highways respond to climate change and establish adaptation projects.

CuentosIE: can a chatbot about "tales with a message" help to teach emotional intelligence?

In this article, we present CuentosIE (TalesEI: chatbot of tales with a message to develop Emotional Intelligence), an educational chatbot on emotions that also provides teachers and psychologists with a tool to monitor their students/patients through indicators and data compiled by CuentosIE. The use of "tales with a message" is justified by their simplicity and easy understanding, thanks to their moral or associated metaphors. The main contributions of CuentosIE are the selection, collection, and classification of a set of highly specialized tales, as well as the provision of tools (searching, reading comprehension, chatting, recommending, and classifying) that are useful for both educating users about emotions and monitoring their emotional development. The preliminary evaluation of the tool has obtained encouraging results, which provides an affirmative answer to the question posed in the title of the article.

Novel Scaffold Agonists of the α2A Adrenergic Receptor Identified via Ensemble-Based Strategy.

The α2A adrenergic receptor (α2A-AR) serves as a critical molecular target for sedatives and analgesics. However, α2A-AR ligands with an imidazole ring also interact with an imidazoline receptor as well as other proteins and lead to undesirable effects, motivating us to develop more novel scaffold α2A-AR ligands. For this purpose, we employed an ensemble-based ligand discovery strategy, integrating long-term molecular dynamics (MD) simulations and virtual screening, to identify new potential α2A-AR agonists with novel scaffold. Our results showed that compounds SY-15 and SY-17 exhibited significant biological effects in the preliminary evaluation of protein kinase A (PKA) redistribution assays. They also reduced levels of intracellular cyclic adenosine monophosphate (cAMP) in a dose-dependent manner. Upon treatment of the cells with 100 μM concentrations of SY-15 and SY-17, there was a respective decrease in the intracellular cAMP levels by 63.43% and 53.83%. Subsequent computational analysis was conducted to elucidate the binding interactions of SY-15 and SY-17 with the α2A-AR. The binding free energies of SY-15 and SY-17 calculated by MD simulations were -45.93 and -71.97 kcal/mol. MD simulations also revealed that both compounds act as bitopic agonists, occupying the orthosteric site and a novel exosite of the receptor simultaneously. Our findings of integrative computational and experimental approaches could offer the potential to enhance ligand affinity and selectivity through dual-site occupancy and provide a novel direction for the rational design of sedatives and analgesics.

TermIt: Managing normative thesauri

Thesauri are popular, as they represent a manageable compromise – they are well-understood by domain experts, yet formal enough to boost use cases like semantic search. Still, as the thesauri size and complexity grow in a domain, proper tracking of the concept references to their definitions in normative documents, interlinking concepts defined in different documents, and keeping all the concepts semantically consistent and ready for subsequent conceptual modeling, is difficult and requires adequate tool support. We present TermIt, a web-based thesauri manager aimed at supporting the creation of thesauri based on decrees, directives, standards, and other normative documents. In addition to common editing capabilities, TermIt offers term extraction from documents, including a web document annotation browser plug-in, tracking term definitions in documents, term quality and ontological correctness checking, community discussions over term meanings, and seamless interlinking of concepts across different thesauri. We also show that TermIt features better fit the E-government scenarios in the Czech Republic than other tools. Additionally, we present the feasibility of TermIt for these scenarios by preliminary user experience evaluation.

Development of a method of increasing the efficiency of decision-making in organizational and technical systems

The object of the study is organizational and technical systems. The subject of the study is the decision-making process in the problems of management of organizational and technical systems. A method of increasing the efficiency of decision-making in organizational and technical systems using artificial intelligence is proposed. The research is based on the giant armadillo swarm algorithm to find a solution regarding the state of organizational and technical systems. Giant armadillo agents (GAA) are trained using evolving artificial neural networks, and an advanced genetic algorithm is used to select the best GAA. The method has the following sequence of actions: – input of initial data; – setting GAA on the search plane; – numbering GAA in the swarm; – determining the initial velocity of GAA; – preliminary evaluation of the GAA search area; – classification of food sources for GAA; – sorting the best GAA individuals; – attack on termite mounds by GAA; – digging termite mounds by GAA; – updating GAA positions; – checking for the presence of a GAA predator; – escape and fight against GAA predators; – checking the stop criterion; – training GAA knowledge bases; – determining the amount of necessary computing resources of the intelligent decision support system. The originality of the proposed method lies in setting GAA taking into account the uncertainty of the initial data, advanced procedures of global and local search taking into account the noise degree of data on the state of organizational and technical systems. The method makes it possible to increase the efficiency of data processing at the level of 14–19 % using additional advanced procedures. The proposed method should be used to solve the problems of evaluating complex and dynamic processes

Molecular modeling of novel 2-aminopyridine derivatives as potential JAK2 inhibitors: a rational strategy for promising anticancer agents

Janus kinase 2(JAK2) is a potential target for anticancer drugs in the treatment of numerous myeloproliferative diseases due to its central role in the JAK/STAT signaling cascade. In this study, the binding behavior of 2 amino-pyridine derivatives as JAK2 inhibitors was investigated by using multifaceted strategies including 3D-QSAR, molecular docking, Fingerprint analysis, MD simulations, and MM-PBSA calculations. A credible COMFA (q 2 = 0.606 and r 2 = 0.919) and COMSIA (q 2 = 0.641 and r 2 = 0.992) model was developed, where the internal and external validation revealed that the obtained 3D-QSAR models could be capable of predicting bioactivities of JAK2 inhibitors. The structural criteria provided by the contour maps of model were used to computationally develop more potent 100 new JAK2 inhibitors. Docking studies were conducted on the model data set and newly developed compounds (in-house library) to demonstrate their binding mechanism and highlight the key interacting residues within JAK2 active site. The selected docked complexes underwent MD simulation (100 ns), which contributed in the further study of the binding interactions. Binding free energy analyses (MMGB/PBSA) revealed that key residues such as Glu930, Leu932 (hinge region), Asp939 (solvent accessible region), Arg980, Asn981and Asp994 (catalytic site) have a significantly facilitate ligand-protein interactions through H-bonding and van der Waals interactions. The preliminary in-silico ADMET evaluation revealed encouraging results for all the modeled and in-house library compounds. The findings of this research have the potential to offer valuable recommendations for the advancement of novel, potent, and efficacious JAK2 inhibitors. Overall, this work has successfully employed a wide range of computer-based methodologies to understand the interaction dynamics between 2-amino-pyridine derivatives and the JAK2 enzyme, which is a crucial target in myeloproliferative disorders. Communicated by Ramaswamy H. Sarma