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This paper addresses the critical problem of low back pain (LBP) among firefighters, particularly during hose rolling operations. The main objective is to lower the average probability of LBP risks by introducing a motorized hose roller for such activities. The development of this tool is guided by prior studies which included a survey. The design and fabrication processes of the motorized hose roller involved assessing existing patents for novelty, employing Solid Work software for design, using a morphological chart for concept selection, and finalizing fabrication through metal casting and wiring. Based on the experiment that had been conducted, the conventional hose rolling methods recorded an average LBP risk probabilities of 58.22%, while the motorized hose rolling tool method significantly reduced these risks to 17.44%, representing a 40.78% reduction of LBP risks. These findings highlight the effectiveness of motorized hose rolling tool and its potential as a safer alternative to existing methods, offering vital insights for improving occupational health and safety in hose rolling operation. This research further explores the design and fabrication of motorized tools, emphasizing their potential to alleviate the physical loads encountered by firefighters. [ABSTRACT FROM AUTHOR]

This work aims to investigate a novel structure based on 1‐methylpiperazine cation [Co(NCS)4(OH2)2]·(C5H14N2)·H2O. The novel complex, 1‐methylpiperazine‐1,4‐diium diaquatetrakis (thiocyanato)‐cobalt hydrate, was investigated using DRX, differential thermogravimetry analysis, FTIR, UV–vis, impedance complex analysis, and density functional theory (DFT). Based on the reported results of these characterization tools, the desired complex phases were confirmed. In the title compound, the aromatic ring in the cationic entity adopts a slightly distorted chair conformation, which ensures coordination stability. FTIR analysis were occurred, which supported the presence of surface ligand groups of thiocyanates, and UV–vis spectroscopy of the electronic transition. Explorations of impedance spectroscopy on [Co(NCS)4(OH2)2]·(C5H14N2)·H2O reveal a fascinating electrical behavior which reveals that the Co complex component can be used as an electronic chip and under certain conditions. The electronic structure and optical properties of the complex were explored using the DFT, confirming it as a direct bandgap semiconductor with a predicted bandgap of 2.89 eV. Optical anisotropic features of the complex, aligning with its monoclinic structure, were identified via analysis of the dielectric function across the [100], [010], and [001] crystallographic directions. The thermal analysis was used to confirm the crystal thermal stability. [ABSTRACT FROM AUTHOR]

# Background Malaria is a significant cause of morbidity, mortality, and economic burden among the Tanzanian population. An effective form of personal protection against malaria is the insecticide-treated bed net (ITN). Although Tanzania has made great efforts to implement ITNs in the general population, gaps in use, access, coverage, and ownership remain. We conducted a systematic review of the available data on the barriers and facilitators to the implementation of ITNs in Tanzania. # Methods A comprehensive search was conducted in four databases: OVID Medline, OVID Embase, EBSCO CINAHL, and Web of Science. The Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) guidelines were followed to present the review and analysis. Eligible studies were appraised to determine the quality of evidence. Various content data were extracted, including study locations, years of publication, study objectives, and barriers and facilitators to ITNs. The Consolidated Framework for Implementation Research (CFIR) facilitated a thematic analysis of the barriers and facilitators. # Results Seven mixed-methods and three qualitative studies met this review's inclusion criteria. Seven regions and ten districts within Tanzania were represented in this review, most notably the Morogoro region and its respective districts, Kilombero and Ulanga. Study dates ranged from 1995 to 2020. Facilitators of ITN implementation included cost, voucher schemes, involving locals, planning for distribution, and social marketing and communication campaigns. Similarly, barriers to ITN implementation included cost, knowledge and beliefs, a poorly developed private sector, and inadequate distribution methods. # Conclusions A systematic review of studies on the implementation of ITNs in Tanzania highlights vital areas in the development of successful implementation that include: (i) the cost of ITNs, (ii) knowledge and beliefs about ITNs among potential users, and (iii) planning for the execution of ITN distribution programs. ITN implementation can be enhanced if national stakeholders invest further in processes that promote ITN procurement, such as voucher schemes, providing education sessions, integrating distribution methods that cater to locals' preferences, and initiating the promotion of ITN months in advance of their distribution. # Registration PROSPERO (https://www.crd.york.ac.uk/prospero/display_record.php?RecordID=222128)

Objective: While psychological issues in epilepsy patients have been studied extensively, the phenomena of self-concept and self-security have not been adequately addressed in such patients. Therefore, the aim of the current study is to assess the levels of psychological self-security and self-concept among Saudi epilepsy patients. Methods: A case-control study was conducted on adult patients with epilepsy from the Epilepsy Monitoring Unit at King Fahad Medical City in Riyadh, Saudi Arabia. Healthy controls were obtained from the community. Demographic data including age, gender and education level were collected. Self-concept and self-security were assessed using validated scales. Descriptive statistics were obtained, and inferential testing was conducted. Results: Data from 145 subjects was entered in the final analysis, including 100 patients with epilepsy and 45 controls (females = 32%). A significantly higher level of psychological insecurity was found in PWE (people with epilepsy) compared to controls. No significant difference was noticed on self-concept level between PWE versus controls. Education level was significantly lower in PWE than in controls. Those with higher education levels scored lower on psychological insecurity, although this effect disappeared when the data were split by health status. Conclusion: Level of psychological self-security was higher in PWE than controls, while no difference in self-concept was observed. This study highlights the areas of focus needed in epilepsy-related social services in order to improve the psychological wellbeing of patients with epilepsy.

A new triazolopyrimidine derivative, namely, 6-hydroxy-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one (HPTP) was synthesized. Its corrosion inhibition performance on mild steel in 1 M HCl solution was researched through weight loss, potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), and scanning electron microscope (SEM) approaches. The experimental results show that the inhibition efficiency of HPTP increases with the increase of concentrations, whereas decreases as the temperature rises. PDP data reveal that the HPTP acts as a mixed type inhibitor. EIS results imply that the HPTP molecules form an antiseptic layer at the steel/solution interface. The adsorption of the inhibitor molecules on the steel surface follows Langmuir's adsorption isotherm. In addition, density functional theory (DFT) calculations were also employed to gain further insight into the adsorption behavior and inhibition mechanism.

The multicomponent reaction of 4-nitrobenzaldehyde with acetophenone and urea in the presence of HCl was investigated, and, as a result, 4,5-bis(4-nitrophenyl)-8a-phenyl-decahydro-[1,3]diazino[4,5-d]pyrimidine-2,7-dione was synthesized. The structure of the synthesized compound was confirmed by the X-ray method. We performed Hirshfeld surfaces (HS) analysis and two-dimensional (2D) fingerprint plots for the studied compound to obtain surface reactivity and intermolecular interactions. The H∙∙∙H interactions were found to be higher, up to 32.2%, while the percentage C∙∙∙O contact was found to be the lowest among the reported interactions for single crystal packing. The energy framework analysis shows the strength of interaction energy within fragments of a single crystal at 3.08 A distances. The DFT study shows structural reactivity and a reduced HOMO-LUMO gap up to 4.0 eV. The NPA study reveals the reactivity and excellent charge transfer within the structure. The TD-DFT study reveals the absorbance in the UV region and excited state parameters during crucial transitions (transitions with maximum oscillator strength). The investigated compound shows excellent optical and nonlinear optical (NLO) properties, as indicated by its polarizability (αo) and hyperpolarizability (βo) values.

Nucleoside analogs are frequently used in the control of viral infections and neoplastic diseases. However, relatively few studies have shown that nucleoside analogs have antibacterial and antifungal activities. In this study, a fused pyrimidine molecule, uridine, was modified with various aliphatic chains and aromatic groups to produce new derivatives as antimicrobial agents. All newly synthesized uridine derivatives were analyzed by spectral (NMR, FTIR, mass spectrometry), elemental, and physicochemical analyses. Prediction of activity spectra for substances (PASS) and in vitro biological evaluation against bacteria and fungi indicated promising antimicrobial capability of these uridine derivatives. The tested compounds were more effective against fungal phytopathogens than bacterial strains, as determined by their in vitro antimicrobial activity. Cytotoxicity testing indicated that the compounds were less toxic. In addition, antiproliferative activity against Ehrlich ascites carcinoma (EAC) cells was investigated, and compound 6 (2′,3′-di-O-cinnamoyl-5′-O-palmitoyluridine) demonstrated promising anticancer activity. Their molecular docking against Escherichia coli (1RXF) and Salmonella typhi (3000) revealed notable binding affinities and nonbonding interactions in support of this finding. Stable conformation and binding patterns/energy were found in a stimulating 400 ns molecular dynamics (MD) simulation. Structure–activity relationship (SAR) investigation indicated that acyl chains, CH3(CH2)10CO-, (C6H5)3C-, and C2H5C6H4CO-, combined with deoxyribose, were most effective against the tested bacterial and fungal pathogens. Pharmacokinetic predictions were examined to determine their ADMET characteristics, and the results in silico were intriguing. Finally, the synthesized uridine derivatives demonstrated increased medicinal activity and high potential for future antimicrobial/anticancer agent(s).

The RNA-dependent RNA polymerase (RdRp) of SARS-CoV-2 is one of the optimum targets for antiviral drug design and development. The hydroxyl groups of cytidine structures were modified with different aliphatic and aromatic groups to obtain 5´-O-acyl and 2´,3´-di-O-acyl derivatives, and then, these derivatives were employed in molecular modeling, antiviral prediction, molecular docking, molecular dynamics, pharmacological and POM studies. Density functional theory (DFT) at the B3LYP/6-31G++ level analyzed biochemical behavior and molecular electrostatic potential (MESP) of the modified cytidine derivatives. The antiviral parameters of the mutated derivatives revealed promising drug properties compared with those of standard antiviral drugs. Molecular docking has determined binding affinities and interactions between the cytidine derivatives and SARS-CoV-2 RdRp. The modified derivatives strongly interacted with prime Pro620 and Lys621 residues. The binding conformation and interactions stability were investigated by 200 ns of molecular dynamics simulations and predicted the compounds to firmly dock inside the RdRp binding pocket. Interestingly, the binding residues of the derivatives were revealed in high equilibrium showing an enhanced binding affinity for the molecules. Intermolecular interactions are dominated by both Van der Waals and electrostatic energies. Finally, the pharmacokinetic characterization of the optimized inhibitors confirmed the safety of derivatives due to their improved kinetic properties. The selected cytidine derivatives can be suggested as potential inhibitors against SARS-CoV-2. The POM Theory supports the hypothesis above by confirming the existence of an antiviral (Oδ-—O’δ-) pharmacophore site of Hits.

In this conference paper, an optimal control method is designed for a variable speed wind turbine system. Due to the inherent nonlinearity of the wind turbine arising from the aerodynamic torque, a linearized model is derived to handle the system's nonlinearities. An online update cost function is created based on the resulting linearized model. The critic neural network weight vector is updated with the steepest decent algorithm to design an optimal control able to minimize the given cost function. To validate the effectiveness of the optimal control based on reinforcement learning, simulation results with varying wind speed profile for different values of learning parameters are presented.

This study examines a nonlinear control technique based on fractional-order sliding mode theory to track the highest power point of a wind energy conversion system. The proposed method achieves chatter-free fractional sliding-mode control by using a continuous control strategy. The main advantages of the proposed fractional-order SMC law are accurate reference tracking, elimination of the chattering problem and minimization of overshoot. To demonstrate the boundedness and convergence characteristics of the closed-loop signals, Lyapunov's stability theory is used. Extensive simulations results are presented to evaluate the robustness and effectiveness of the proposed control under various uncertainty.

V-domain Ig suppressor of T cell activation (VISTA) is an immune checkpoint and is a type I transmembrane protein. VISTA is linked to immunotherapy resistance, and it is a potential immune therapeutic target, especially for triple-negative breast cancer. It expresses at a high concentration in regulatory T cells and myeloid-derived suppressor cells, and its functional blockade is found to delay tumor growth. A useful medicinal plant database for drug designing (MPD3), which is a collection of phytochemicals from diverse plant families, was employed in virtual screening against VISTA to prioritize natural inhibitors against VISTA. Three compounds, Paratocarpin K (PubChem ID: 14187087), 3-(1H-Indol-3-yl)-2-(trimethylazaniumyl)propanoate (PubChem ID: 3861164), and 2-[(5-Benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole (PubChem ID: 6494266), having binding energies stronger than −6 kcal/mol were found to have two common hydrogen bond interactions with VISTA active site residues: Arg54 and Arg127. The dynamics of the compound–VISTA complexes were further explored to infer binding stability of the systems. Results revealed that the compound 14187087 and 6494266 systems are highly stable with an average RMSD of 1.31 Å. Further affirmation on the results was achieved by running MM-GBSA on the MD simulation trajectories, which re-ranked 14187087 as the top-binder with a net binding energy value of −33.33 kcal/mol. In conclusion, the present study successfully predicted natural compounds that have the potential to block the function of VISTA and therefore can be utilized further in experimental studies to validate their real anti-VISTA activity.

This work aims to investigate novel structures based on 2-methylbenzylamine cations [(C8H12N)2Co(SCN)4] (1) and [(C8H12N)SCN] (2). The novel complexes were characterized and investigated by various techniques such as differential thermogravimetry analysis, FT-IR, UV-visible spectroscopy, impedance complex analysis, molecular modeling based on DFT calculations, and molecular docking as potent anti-inflammatory agents. Based on the reported results of these characterization tools, the desired complex phases were confirmed. These novel compounds were characterized by FTIR analysis, which supported the presence of surface ligand groups of thiocyanates, and UV-visible spectroscopy showed the optical transparencies of the titled compounds in addition to the confirmation of the electronic transition. Complex packing occurred through the N–H⋯S and N–H⋯N H-bond interactions, forming a ring in addition to CH-interactions, resulting in a 3-D network. Finally, molecular docking occurred for both complexes, which suggests that the complexes have anti-inflammatory potential. [ABSTRACT FROM AUTHOR]

Two new pyrazolidine-3,5-dione derivatives namely (Z)-4-(2-(4-bromophenyl)hydrazono)-1-phenylpyrazolidine-3,5-dione (2) and (E)-1-phenyl-4-((pyridin-2-ylamino)methylene)pyrazolidine-3,5-dione (3) were synthesized and their structures were elucidated by single-crystal X-ray analysis along with spectroscopic techniques. Density functional theory (DFT) studies were carried out to examine the distribution of charge, and natural bond orbital (NBO) analysis and frontier molecular orbital (FMO) analysis were carried out. Hirshfeld surface analysis was carried out to examine the intermolecular interactions, revealing a prevalence of H⋯H interactions in the crystals of both molecules. NBO analysis was carried out to investigate the stabilization energy, while MEP analysis was conducted to explore regions susceptible to nucleophilic and electrophilic attacks. The molecules were screened for their medicinal potential based on physiochemical and pharmacokinetics including (gastrointestinal) GI absorption, blood brain barrier (BBB) permeation, skin permeation capability, Caco-2 permeability, Madin–Darby canine kidney (MDCK) permeability, drug metabolism by the cytochrome P450 (CYP) family of liver enzymes, and toxicity evaluations. The expected metabolic reactions in the real cell system and the resulting metabolites along with their polarities for the determination of the probability of excretion from the body and drug-likeness were studied. To investigate the anticancer potency of 2 and 3, both were docked with three enzymes as drug targets for anticancer studies including HER2 (PDB ID: 3WSQ), EGFR (PDB ID: 5WB7), and the extracellular domain of the Tdp enzyme (PDB ID: 6N0D). From the calculated binding energies and inhibition constants, 2 is a better inhibitor of the target substrates than 3. [ABSTRACT FROM AUTHOR]

Safety helmets are essential for protecting individuals in high-risk industries such as construction, sports, and manufacturing, where head injuries are common. Despite their importance, poor helmet fit is widespread, primarily due to a lack of consideration for anthropometric diversity, which reduces their effectiveness and compromises safety. Anthropometry, the study of human body measurements, played a critical role in this research. Current helmet designs are predominantly based on Western anthropometric data, which fail to accommodate the unique head shapes of Malaysians. To bridge this gap, the study involved 3D scans of 100 Malaysian male participants at UTHM, capturing key anthropometric dimensions such as head circumference, width, and length. These measurements were taken with and without helmets to thoroughly analyze fit discrepancies. The findings highlighted significant anthropometric variations within the population, revealing that many existing helmets did not provide a proper fit. This study emphasizes the importance of incorporating localized anthropometric data in helmet design, offering a solution that improves comfort, enhances safety, and reduces the likelihood of head injuries. [ABSTRACT FROM AUTHOR]

In the title molecule, C13H16N4O3, the mean planes of the phenyl and triazole rings are nearly perpendicular to one another as a result of the intramolecular C—H...O and C—H...π(ring) interactions. In the crystal, layers parallel to (101) are generated by O—H...N, N—H...O and N—H...N hydrogen bonds. The layers are connected by inversion-related pairs of C—H...O hydrogen bonds. The experimental molecular structure is close to the gas-phase geometry-optimized structure calculated by DFT methods. Hirshfeld surface analysis indicates that the most important interaction involving hydrogen in the title compound is the H...H contact. The contribution of the H...O, H...N, and H...H contacts are 13.6, 16.1, and 54.6%, respectively.

In the title molecule, C17H23NO2, the dihydroindole portion is planar (r.m.s. deviation = 0.0157 Å) and the nonyl substituent is in an `extended' conformation. In the crystal, the nonyl chains intercalate and the dihydroindoledione units are associated through C—H...O hydrogen bonds to form micellar blocks. Based on the Hirshfeld surface analysis, the most important intermolecular interaction is the H...H interaction.

The chemistry and biochemistry of carbohydrate esters are essential parts of biochemical and medicinal research. A group of methyl β-d-galactopyranoside (β-MGP, 1) derivatives was acylated with 3-bromobenzoyl chloride and 4-bromobenzoyl chloride in anhydrous N,N-dimethylformamide/triethylamine to obtain 6-O-substitution products, which were subsequently converted into 2,3,4-tri-O-acyl derivatives with different aliphatic and aromatic substituents. Spectroscopic and elemental data exploration of these derivatives confirmed their chemical structures. In vitro biological experiments against five bacteria and two fungi and the prediction of activity spectra for substances (PASS) revealed ascending antifungal and antibacterial activities compared with their antiviral activities. Minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) experiments were performed for two derivatives, 3 and 9, based on their antibacterial activities. Most of these derivatives showed >780% inhibition of fungal mycelial growth. Density functional theory (DFT) was used to calculate the chemical descriptors and thermodynamic properties, whereas molecular docking was performed against antibacterial drug targets, including PDB: 4QDI, 5A5E, 7D27, 1ZJI, 3K8E, and 2MRW, and antifungal drug targets, such as PDB: 1EA1 and 1AI9, to identify potential drug candidates for microbial pathogens. A 100 ns molecular dynamics simulation study revealed stable conformation and binding patterns in a stimulating environment by their uniform RMSD, RMSF, SASA, H-bond, and RoG profiles. In silico pharmacokinetic and quantitative structure–activity relationship (QSAR) calculations (pIC50 values 3.67~8.15) suggested that all the designed β-MGP derivatives exhibited promising results due to their improved kinetic properties with low aquatic and non-aquatic toxicities. These biological, structure–activity relationship (SAR) [lauroyl-(CH3(CH2)10CO-) group was found to have potential], and in silico computational studies revealed that the newly synthesized MGP derivatives are potential antibacterial/antifungal candidates and can serve as therapeutic targets for human and plant pathogens.

BackgroundOral rehydration therapy (ORT) is an effective and cheap treatment for diarrheal disease; globally, one of the leading causes of death in children under five. The World Health Organization launched a global campaign to improve ORT coverage in 1978, with activities such as educational campaigns, training health workers and the creation of designate programming. Despite these efforts, ORT coverage remains relatively low. The objective of this systematic review is to identify the barriers and facilitators to the implementation of oral rehydration therapy in low and middle-income countries.MethodsA comprehensive search strategy comprised of relevant subject headings and keywords was executed in 5 databases including OVID Medline, OVID Embase, OVID HealthStar, Web of Science and Scopus. Eligible studies underwent quality assessment, and a directed content analysis approach to data extraction was conducted and aligned to the Consolidated Framework for Implementation Research (CFIR) to facilitate narrative synthesis.ResultsThe search identified 1570 citations and following removal of duplicates as well as screening according to our inclusion/exclusion criteria, 55 articles were eligible for inclusion in the review. Twenty-three countries were represented in this review, with India, Bangladesh, Egypt, Nigeria, and South Africa having the most representation of available studies. Study dates ranged from 1981 to 2020. Overarching thematic areas spanning the barriers and facilitators that were identified included: availability and accessibility, knowledge, partnership engagement, and design and acceptability.ConclusionA systematic review of studies on implementation of ORT in low- and middle-income countries (LMICs) highlights key activities that facilitate the development of successful implementation that include: (1) availability and accessibility of ORT, (2) awareness and education among communities, (3) strong partnership engagement strategies, and (4) adaptable design to enhance acceptability. The barriers and facilitators identified under the CIFR domains can be used to build knowledge on how to adapt ORT to national and local settings and contribute to a better understanding on the implementation and use of ORT in LMICs. The prospects for scaling and sustaining ORT (after years of low use) will increase if implementation research informs local applications, and implementers engage appropriate stakeholders and test assumptions around localized theories of change from interventions to expected outcomes.RegistrationA protocol for this systematic review was developed and uploaded onto the PROSPERO international prospective register of systematic reviews database (Registration number: CRD420201695).

Objectives: Consuming raw vegetables presents a considerable risk to the public and is the chief mode of transmission of intestinal parasites. We sought to assess the degree of parasitic contaminations on selected vegetables in the UAE. Methods: A total of 218 fresh vegetable samples were collected randomly from different farms and local supermarkets between February 2017 and January 2018. After washing and centrifugation, the sediment was examined microscopically for parasitic forms. Results: Protozoa cysts and helminths eggs were detected in 15.1% (33/218) of samples. The most detected parasites were Entamoebacomplex(E. histolytica/E. dispar/E. moshkovskii) (30.3%), Entamoeba coli (18.2%), Trichuris trichiura (12.1%), Strongyloides stercoralis (12.1%), Ascaris lumbricoides egg (9.1%), Endolimax nana cyst and Enterobius vermicularis egg (6.1% each), and Giardia lamblia and Hymenolepis nana (3.0% each). We found no significant association between the vegetable type and the parasite occurrence (p > 0.050). Moreover, parasite incidence was independent of the vegetable type (p > 0.050). Conclusions: The study highlights the potential of raw produce serving as a major source of foodborne disease outbreaks and its role in the transmission of intestinal parasitic infections. Public education on the safe handling of raw vegetables is recommended.