Structural Characteristics Research Articles

Effects of high hydrostatic pressure on the structural, physicochemical, and functional characteristics of buffalo milk casein.

This study applied high hydrostatic pressure (HHP) treatment to buffalo milk casein to assess the influence of different pressure levels on its structural characteristics, physicochemical properties, and functional properties. The results showed that although HHP had no marked impact on the zeta potential and secondary structure, it altered the protein's spatial structure (primarily its tertiary structure), and improved dispersion properties (such as particle size, solubility, and turbidity), as well as foaming properties. Additionally, HHP improved the antioxidant activity and antibacterial activity against Escherichia coli. However, HHP treatment negatively affected the water-holding capacity, emulsion stability, and antibacterial activity against Staphylococcus aureus. These findings suggest that HHP treatment is a potential method for modifying buffalo milk casein and provides a theoretical basis for its comprehensive utilization.

Effects of catechins with different structure characteristics on the structure and properties of gluten-catechin covalent complex.

Effects of catechins with different structure characteristics on the structure and properties of gluten-catechin covalent complex were investigated, and the structure-activity relationship was further explored. Catechins including epicatechin (EC), epigallocatechin (EGC), epicatechin-3-gallate (ECG), and epigallocatechin-3-gallate (EGCG) could successfully covalently bind with gluten through C-N and/or C-S bonds. The physicochemical properties of covalent complex, including particle size, thermal stability, content of free amino groups, free sulfhydryl groups and disulfide bonds, were significantly affected by different catechins, and the action order was: EGCG>ECG>EGC>EC. Multispectral analysis indicated that catechins significantly changed the tertiary and secondary structures of covalent complex, while galloylated catechins (ECG and EGCG) showed stronger capability than non-galloylated catechins (EC and EGC). Furthermore, the in vitro protein digestibility of covalent complexes reduced with all catechins, and its polyphenols release rate and antioxidant activity were improved. Combining multispectral analysis and molecular dynamics simulation, the hydroxyl group at 5th position in B ring and the galloyl group at 3rd position in C ring played an important role to affect the covalent binding of catechins and gluten, while the amount of hydroxyl groups and the molecule size of catechins both significantly affected its capability to covalently bind with gluten.

Remediation of thallium-contaminated groundwater using magnetic illite–biochar: Structural characteristics, performance and mechanisms

Remediation of thallium-contaminated groundwater using magnetic illite–biochar: Structural characteristics, performance and mechanisms

Effect of strengthening agents on properties of dual-modified cassava starch-based degradable films.

Insufficient hydrophobicity and mechanical properties pose significant challenges in the development of starch-based degradable films. This study prepared modified (crosslinked, acetylated, and crosslinked & acetylated) cassava starch films, and different concentrations of strengthening agents (polyvinyl alcohol, sodium alginate, gelatin, and hyaluronic acid) were added to produce modified starch composite films. The physical properties, structure characteristics, and degradability of these films were systematically evaluated. The dual-modified (crosslinked & acetylated) starch film exhibited superior hydrophobic properties (contact angle=90.04°), and the addition of strengthening agents significantly enhanced the tensile strength of the composite films (p<0.05). Fourier transform infrared spectra confirmed that the strengthening agents interacted with starch through hydrogen bonding. Additionally, the hyaluronic acid-starch composite film exhibited the most rapid degradation in soil (53% weight loss after 30days of storage) and achieved the highest comprehensive score for physical properties. This film combined exceptional hydrophobicity and mechanical properties, making it an ideal candidate for food packaging applications. These findings suggest that the hyaluronic acid-starch composite film has broad potential applications in the field of degradable food packaging films.

The potential of MAO inhibitors as chemotherapeutics in cancer: A literature survey.

Drug resistance in cancer is determined by genetic mutations and adaptations of tumor cells to drug treatments, raising a challenge in the treatment of cancer. Factors such as prolonged drug exposure, genetic variability among patients, and tumor heterogeneity have been established as contributors to rising incidence of drug resistance, prompting ongoing research into alternative therapies and combination treatments to overcome this challenge. Monoamine oxidases (MAOs), including both isoforms MAO-A and MAO-B, are mitochondrial enzymes responsible for the catabolism of monoamine neurotransmitters such as dopamine, norepinephrine, and serotonin. While these enzymes play a pivotal role in the nervous system, their role in tumorigenesis has garnered increasing attention in the last years. Recent studies, in fact, have highlighted the potential of MAO inhibitors (MAOIs) as antitumor agents, emphasizing their use as standalone treatments or in synergy with traditional anticancer therapies, focusing on pathways involved in tumorigenesis. This review aims to provide a comprehensive overview of MAOIs currently under study for their potential antitumor activity, focusing on their structural characteristics, mechanisms of action, and efficacy in preclinical and clinical settings, referencing key articles in the field.

Catalytic-assisted remediation and phytotoxicity evaluations of organic pollutants in the presence of metal-doped Bi2O3-based NPs catalyst.

The chemical co-precipitation method was used to synthesize a variety of pure Bi2O3 and substituted Bi2-2xCoxCdxO3 NPs (x=0.0-0.8) and doping influences were evaluated based on the optical, photocatalytic, morphological, and structural characteristics. Powder X-ray diffraction (PXRD), scanning electron microscope (SEM), Energy dispersive X-ray (EDX), Fourier-transform infrared spectroscopy (FTIR), and UV-visible techniques were used to explore the characteristics of the synthesized Bi2O3-based NPs. XRD measurements confirmed the monoclinic structure and a P21/c space group, whereas the particle size was between 22 and 41nm. The SEM analysis gives the morphology of the synthesized NPs that were diverse and agglomerated platelets, whereas the EDX measurements provide the presence of Co and Cd in Bi2-2xCoxCdxO3 NPs. Additionally, FTIR investigations confirmed the existence of functional groups in Bi2-2xCoxCdxO3 NPs. The ultraviolet-visible absorbance region displaying a considerable red shift allowed for tuning of the band gap from 2.64 to 2.37eV. By analyzing the degradation of Reactive Black 5 (RB-5) dye in the presence of sunlight, pure Bi2O3 NPs showed 65.04% whereas the substituted Bi2-2xCoxCdxO3 NPs demonstrated enhanced photodegradation (86.40%) in 105min. For the degradation of RB-5 dye, the effects of catalyst dosage, dye concentration, and pH variations were studied as well. The phytotoxicity experiment was also performed by comparing the germination of Triticum aestivum seeds in treated and untreated RB-5 dye. In the untreated dye solution, seed germination was 50% inhibited, and in the treated dye solution, germination was observed to be 80%. Additionally, recycling investigations were used to confirm the stability of these fabricated nanoparticles, and the results showed that nanomaterials exhibited significant stability and reusability. Co and Cd-doped Bi2O3 NPs are promising solar-active photocatalysts for dye removal from wastewater applications because of their improved photocatalytic activity and narrow bandgap.

Preparation and characterization of natural microcapsules EYG (egg yolk granules) with OPO(1,3-dioleic acid-2-palmitic acid triglyceride): Unique application of EYG riches in low/high-density lipoproteins on OPO stability.

Glycerol 1,3-dioleic acid, 2-palmitate (OPO) structural lipids are one of the important types of breast milk replacement lipids. Due to the presence of polyunsaturated fatty acids (PUFA) in the OPO structure, causing it to be extremely unstable. This study aimed to embed OPO through homogenization and spray drying based on egg yolk granules (EYG, riches in low/high-density lipoproteins) to prepare OPO natural microcap1sules. The embedding rate, structural characteristics, powder properties, thermal stability and nutritional value of the microcapsule product were analyzed. This study found that the highest encapsulation rate was 72.4% for microcapsules containing 6% OPO. The EYG formed an embedding structure with OPO, and the particle size increased with the increase of OPO content. The characteristic peaks of OPO in infrared spectroscopy weaken or disappeared. Some of the unencapsulated OPO and the spray drying conditions during preparation made the particles in a state of accumulation, but the particles were uniform in size and smooth in surface. The DSC results showed that the Tg of the microcapsules increased and higher than room temperature, and there was no glass transition at room temperature, and the thermal stability was relatively improved. The addition of EYG increased the content of PUFA, improved the nutritional value of OPO. In summary, embedded OPO with EYG as a natural single material could effectively improve the stability during storage and processing process, and also provided the possibility for EYG to be used for embedding and delivering other PUFAs.

Utilizing ultrasound for the extraction of polysaccharides from the tuber of Typhonium giganteum Engl.: Extraction conditions, structural characterization and bioactivities.

Polysaccharides from the dried tuber of Typhonium giganteum Engl. (TGEPs) were obtained by utilizing ultrasonic-assisted extraction (UAE) as the extraction method. The determination of optimal process parameters for the UAE of TGEPs (TGEP-U) was accomplished through the application of response surface methodology (RSM). The structural characteristics, antioxidant and hypoglycemic effects of TGEP-U and TGEPs obtained by hot water extraction (TGEP-H) were then compared. Consequently, the optimum extraction conditions predicted by RSM for TGEP-U were obtained as adding water at a ratio of 31mL/g and extracted for 32min under an ultrasound power of 440W. In the verification experiment, the actual yield of TGEP-U was 7.32±0.18%. It was found that UAE could increase the yield and the total sugar content of TGEPs. Meanwhile, chemical composition analysis showed that both TGEP-U and TGEP-H were mainly composed of mannose, rhamnose, glucuronic acid, galacturonic acid, glucose, galactose, arabinose, and fucose, but the monosaccharide molar ratios were changed by UAE. Analysis of molecular weight (Mw) revealed the presence of three primary constituents within TGEP-U, and four main components in TGEP-H, and UAE reduced the average Mw of TGEPs. No obvious difference was found in the Fourier transform infrared spectroscopy analysis of TGEP-U and TGEP-H. The Congo red and Circular dichroism tests demonstrated that TGEP-U and TGEP-H had non-three helical structure. Scanning electron microscope observation further revealed that the aggregation of functional groups within TGEPs may be influenced by ultrasound, thereby affecting their powder morphology. TGEP-U has slightly poorer thermal stability than TGEP-H, which may be affected by ultrasonic cavitation effects. The results also indicated that TGEP-U had better antioxidant and hypoglycemic activity than TGEP-H. In summary, UAE is an effective method to extract and enhance the activity of TGEPs with enormous research value and potentials.

AFFIPred: AlphaFold2 structure-based Functional Impact Prediction of missense variations.

Protein structure holds immense potential for pathogenicity prediction, albeit structure-based predictors are limited compared to the sequence-based counterparts due to the "structure knowledge gap" between large number of available protein sequences and relatively limited number of structures. Leveraging the highly accurate protein structures predicted by AlphaFold2 (AF2), we introduce AFFIPred, an ensemble machine learning classifier that combines sequence and AF2-based structural characteristics to predict missense variant pathogenicity. Based on the assessments on unseen datasets, AFFIPred reached a comparable level of performance with the state-of-the-art predictors such as AlphaMissense. We also showed that the recruitment of AF2 structures that are full-length and represent the unbound states ensures more precise SASA calculations compared to the recruitment of experimental structures. In line with the completeness of the AF2 structures, their use provide a more comprehensive view of the structural characteristics of the missense variation datasets by capturing all variants. AFFIPred maintains high-level accuracy without the limitations of PDB-based classifiers. AFFIPred has predicted over 210 million variations of the human proteome, which are accessible at https://affipred.timucinlab.com/.

The first Ranatuerin antimicrobial peptide with LPS-neutralizing and anti-inflammatory activities in vitro and in vivo.

Pelophylax nigromaculata, common traditional Chinese medicinal material used for several hundreds of years, is one of the most widely distributed amphibians in China. In this study, a novel Ranatuerin-2 family antimicrobial peptide, Rana-2PN, was identified and characterized from its skin, and its structural characteristics and functional activities were studied extensively. First, Rana-2PN exhibited a broad spectrum of antimicrobial activity, displaying minimum inhibitory concentration (MIC) values ranging from 12.5 to 100 μM against all strains tested. Mechanistically, Rana-2PN exerted its bacteriostatic effects by binding to bacterial cells and inducing bacterial membrane rupture and subsequent bacterial death. Secondly, Rana-2PN effectively inhibited the inflammatory response in RAW264.7 cells induced by lipopolysaccharide (LPS) and reduced inflammation induced by carrageenan in mouse toes. Thus, Rana-2PN with LPS-neutralizing, anti-inflammatory, and antimicrobial properties, represents the first member of the Ranatuerin antimicrobial peptide family, and its discovery offers a promising therapeutic candidate for addressing inflammatory disorders resulting from bacterial infections.

Effects of pyrolysis conditions on sewage sludge-biochar properties and potential risks based on PAH contents

Pyrolysis of sewage sludge can significantly reduce industrial waste while producing high-value biochar for soil improvement. This study aimed to evaluate the quality and safety of biochar from sewage sludge under different pyrolysis conditions. Optimal carbonization conditions (700°C, 60 minutes, 5°C/min) were identified by analyzing the physicochemical properties, elemental composition, structural characteristics, and the specific surface area of biochar. Results show that pyrolysis of waste sludge reduces the total content of priority polycyclic aromatic hydrocarbons (PAHs) by 48%, from 6367 ng/g to 3317 ng/g, mainly due to a reduction in low-molecular-weight compounds. The composition of polyarenes in biochars is represented primarily by low-molecular compounds, among which naphthalene and phenanthrene predominate. At the same time, among high-molecular compounds, fluoranthene, pyrene, and chrysene stand out, significantly dominating the overall picture. According to the Incremental Lifetime Cancer Risk model, the carcinogenic risks associated with biochar usage are primarily driven by hazardous compounds such as chrysene, benzo(a)pyrene, and dibenz(a,h)anthracene, evaluated through toxic equivalent concentrations. It was found that with oral or dermal exposure to these pollutants, the likelihood of cancer in children is 1.1-1.4 times higher than in adults. At the same time, with inhalation, this threat increases by 1.5 times for adults compared to children. However, with increased pyrolysis temperature, heating rate, and holding time of sewage sludge, the carcinogenic risks of biochar decrease. Biochar produced under optimal conditions contains PAH levels below toxic threshold standards set by the International Biochar Initiative. The safe application rate for biochar in Haplic Chernozem soils at 0–20 cm depth is up to 26 t/ha.

Comprehensive characterization of lignins in the context of their valorization: A combination of NMR/2D-COS IR spectroscopy.

The widespread development of lignin valorization is hindered by a number of challenges. In particular, efficient valorization necessitates comprehensive characterization of initial lignins. In this work, the structural features of lignins from birch wood (Bétula péndula), obtained by various methods of hard and mild fractionation of biomass: hydrolysis (Hyd-L), kraft (Kraft-L), soda (Soda-L), and soda-ethanol (SodaEt-L) processes, as well as organosolv processes with dioxane (MWL, DL) and dimethyl sulfoxide (DMSO-L) have been comprehensively studied. The main novelty of this study is the first-time application of Two-Dimensional Correlation Infrared Spectroscopy (2D-COS IR) for rapidly and comprehensively assessing structural transformations of lignins, in combination with 31P NMR. It has been established that changing delignification conditions primarily affects the processes of demethoxylation, dehydration and polymerization/condensation of lignin, and then the breaking of lignin-carbohydrates linkages. An approach to evaluating the potential of different types of lignin for valorization (valorization index), based on their structural characteristics, has been proposed. The applied approach allowed for the arrangement of the studied lignins in order of decreasing valorization index: DMSO-L, MWL, DL, SodaEt-L, Soda-L, Kraft-L.

Thermal performance analysis of a deep coaxial borehole heat exchanger with a horizontal well based on a novel semi-analytical model

This study introduces a novel semi-analytical model for deep coaxial borehole heat exchanger with a horizontal well(H-DBHE), which incorporates the effects of formation stratification and transient heat conduction within the pipe walls. Initially, the model's validity was checked through a comparison with the results derived from the published numerical models. This semi-analytical approach significantly reduces computational time while ensuring calculation accuracy. Subsequently, the study quantitatively examined the influence of the operation parameters, structural characteristics and the thermal capacity within the borehole on the dynamic heat extraction of H-DBHE. The numerical results demonstrate that the thermal capacity within the borehole significantly influences the heat extraction performance during intermittent operations of H-DBHE. Based on this finding, the study further investigated the effects of intermittent operation and heating time on the heat recovery performance of the system. Additionally, the study compared the long-term operational performance and thermal attenuation between H-DBHE and deep coaxial borehole heat exchanger (DBHE) over a ten-year simulation period. This research introduces a novel semi-analytical model for H-DBHE, which is of significant theoretical guidance for accurately predicting the heat extraction performance of H-DBHE and scientifically designing geothermal utilization systems.

Structure characteristics, electrical and microwave dielectric properties of quaternary-phase Na2O-Fe2O3-MoO3 ceramic and fabrication of patch antenna for a sub-6 GHz 5G band

Structure characteristics, electrical and microwave dielectric properties of quaternary-phase Na2O-Fe2O3-MoO3 ceramic and fabrication of patch antenna for a sub-6 GHz 5G band

PROTAC-attractive site as a new target for suppressing P-glycoprotein activity

P-glycoprotein (P-gp) plays an important role in the rapid release of various small molecule substances from the cell. In turn, inhibition of this efflux transporter is an attractive strategy for both overcoming chemoresistance and facilitating oral absorption of drugs or CNS drug delivery. In this work, we adopt an approach typical for PROteolysis Targeting Chimera (PROTAC), which is based on the artificial drawing together of the target protein to E3 ubiquitin ligase, to P-gp. Forced ubiquitinylation of a transmembrane protein will provoke its removal from the cell membrane and promote its subsequent degradation. Within this concept, we investigated the possibility of P-gp ubiquitinylation by a number of PROTAC-specific E3 ligases using several approaches. We also identified the most promising site for the development of P-gp ligands. By screening a diversified library of compounds, we not only identified a number of scaffolds suitable for the construction of specific ligands, but also proposed dorsomorphin as a convenient platform for creating the constituent of a bifunctional chimera. We show that dorsomorphin both has the structural characteristics necessary to develop a PROTAC-like molecule and exhibits P-gp inhibitory activity. In conclusion, the proposed approach is universal and can be applied to other transmembrane proteins associated with the pathogenesis of certain diseases.

Electronic structure and absorption characteristics of two-dimensional perovskites Csn+1PbnCl3n+1 (n = 1, 2, and 4): Co-regulation of the number of layers and Ge doping concentration

The structures of monolayer (Cs2PbCl4), bilayer (Cs3Pb2Cl7), and tetralayer (Cs5Pb4Cl13) 2D CsPbCl3 perovskites are constructed by cutting along the (001) crystal plane of CsPbCl3. The lattice structure, band structure, density of states, and absorption coefficients of Csn+1GenxPbn(1-x)Cl3n+1 (n = 1, 2, and 4) at various germanium (Ge) doping concentrations are calculated. By co-regulating the number of layers and Ge doping concentration, the range for band gap tuning can be significantly broadened, overcoming the limitations associated with using a single tuning parameter. Furthermore, the analysis of absorption coefficients shows that increasing the number of layers has a limited effect on the material's absorption at visible wavelengths but improves the overall absorption performance. Increasing the Ge doping concentration notably enhances the absorption capabilities across both the visible and ultraviolet (UV) spectra (>8 eV) of materials. In conclusion, the co-regulation strategy employed in this study provides a wider range of band gap and absorption capabilities tuning for Csn+1GenxPbn(1-x)Cl3n+1, thereby significantly enhancing their potential and applicability in optoelectronics. Additionally, this study serves as an important reference for the construction and performance optimization of 2D perovskites.

Integrated geophysical and remote sensing/GIS interpretation for delineating the structural elements and groundwater aquifers of the Foumban locality, Western Highlands of Cameroon (WHC)

This study was conducted in the Foumban locality, in the Western Highlands of Cameroon (WHC) where a majority of the population is suffering from scarcity of water for domestic purposes and many other related uses. Thus, it aims at investigating the structural and geo-electrical characteristics of the aquifer system of the locality, based on an integrated approach (Geophysics and GIS). For this purpose, the Landsat 8 image with 30 × 30 m resolution and 20 vertical electrical sounding (VES) data were analysed with ArcGIS, ENVI version 5.3, Stereonet v9.3.2 and QWSELN software, coupled with the principal component analysis (PCA). Based on the structural aspect, a total of 224 fractures with lengths higher than 1 km have been identified and drawn. They are mainly grouped in the Centre, North-East and South-East of the study area. Five main families within linear directions have been identified: N10-20 (13.84%), N20-30 (17.86%), N50-60 (9.82%), N80-90 (5.90%) and N140-150 (7.59%). They are mostly oriented NE-SW, following the Cameroon Volcanic Line (CVL). These fractures which play an important role in the capacitive and drainage function of the fractured aquifer result from the tectonic movements and decompression of rock masses. According to the geoelectrical characteristics, different VES curve types have been identified, corresponding to various alternate layers of conductive, semi resistive and resistive formations; with thickness ranging between 0.41 to 47 m and resistivity values between 82 to 3410 Ωm. The three cross-section realised (A-A’, B-B’ and C-C’) show that those alternate materials (topsoil, laterite, weathered layer, fractured basement and fresh basement rock) are discontinuous both vertically and horizontally, highlighting the geometry and hydrogeological complexity of these areas. This study is a contribution to a better understanding of the basement aquifers milieu; it could be used by the water supply departments and decision makers for locating appropriate positions of new productive wells in the study area.

Comprehensive genomic analysis and selection signature detection in endangered Beigang pigs using whole-genome sequencing data.

The Beigang pig was recently identified as one of the endangered breeds during a Chinese indigenous pig genetic resource survey. The Beigang breed is notable for its remarkable roughage tolerance and high reproductive capacity according to historical records. Morphologically, the Beigang pig resembles many indigenous pigs in eastern China, especially in its large ears. This makes the Beigang pig a valuable reference for studying the genetic mechanisms on large ear size in pigs. However, there is currently a lack of clear understanding regarding the genetic structure and inbreeding levels of the Beigang pig population. This study used whole-genome sequencing data from Beigang pig (N = 145 pigs) and integrated genetic information from commercial pigs and indigenous pigs in eastern China to conduct a comprehensive analysis of the Beigang pig's genetic structure. Three selection signal detection methods-runs of homozygosity, fixation index, and integrated haplotype score-were employed to explore the differences in genomic selection signatures between Beigang pig and other pig populations. Additionally, we used a public project for regulatory variants discovery and molecular phenotype prediction in farm animal species called FarmGtex to explore the expression of three genes (WIF1, LEMD3, and MSRB3) related to ear size in Beigang pig. This research identified five homozygous variant sites in the WIF1 gene as important candidate loci potentially influencing ear size in Beigang pig. The results indicate that the Beigang pig holds a unique status among Chinese indigenous pigs, characterized by high genetic diversity and low levels of inbreeding. The study also revealed that WIF1 may play a significant role in influencing ear size in this breed. These findings contribute to a deeper understanding of the population structure and genetic characteristics of Beigang pig.

Comprehensive characterization and unprecedented photocatalytic efficacy of TiO2-CuO-La2O3 and TiO2-CuO-Bi2O3 nanocomposites: A novel approach to environmental remediation

In this comprehensive investigation, the properties of TiO2-CuO-La2O3 and TiO2-CuO-Bi2O3 nanocomposites were systematically explored, unveiling their structural, textural, optical, and photocatalytic characteristics. X-ray diffraction analysis identified key solid phases, while scanning electron microscopy revealed consistent surface features, emphasizing the reproducibility of the observed structures. Textural analysis highlighted the mesoporous nature of the nanocomposites, with TiO2-CuO-La2O3 exhibiting a higher surface area, indicating potential for enhanced adsorption and catalytic activity. Optical exploration demonstrated distinctive features, and the incorporation of Bi2O3 reduced the band gap, suggesting applications in photocatalysis or optoelectronics. Further insights into molecular composition, bonding dynamics, and surface defects were provided by FT-IR and photoluminescence spectra. Photocatalysis experiments confirmed the activity of the two nanocomposites, with TiO2-CuO-Bi2O3 demonstrating superior performance. Kinetic studies underscored the importance of reactive species in photocatalytic reactions. Solar irradiation experiments demonstrated the high efficiency of the 500Ti-Cu-Bi7 nanocomposite, with 91% dye degradation, confirming its superior photocatalytic performance and suggesting promising applications in environmental remediation and catalysis.

Machine learning vs. regression models to predict the risk of Legionella contamination in a hospital water network.

The periodic monitoring of Legionella in hospital water networks allows preventive measures to be taken to avoid the risk of legionellosis to patients and healthcare workers. The aim of the study is to standardize a method for predicting the risk of Legionella contamination in the water supply of a hospital facility, by comparing Machine Learning, conventional and combined models. During the period July 2021- October 2022, water sampling for Legionella detection was performed in the rooms of an Italian hospital pavilion (89.9% of the total number of rooms). Fifty-eight parameters regarding the structural and environmental characteristics of the water network were collected. Models were built on 70% of the dataset and tested on the remaining 30% to evaluate accuracy, sensitivity, and specificity. A total of 1,053 water samples were analyzed and 57 (5.4%) were positive for Legionella. Of the Machine Learning models tested, the most efficient had an input layer (56 neurons), hidden layer (30 neurons), and output layer (two neurons). Accuracy was 93.4%, sensitivity was 43.8%, and specificity was 96%. The regression model had an accuracy of 82.9%, sensitivity of 20.3%, and specificity of 97.3%. The combination of the models achieved an accuracy of 82.3%, sensitivity of 22.4%, and specificity of 98.4%. The most important parameters that influenced the model results were the type of water network (hot/cold), the replacement of filter valves, and atmospheric temperature. Among the models tested, Machine Learning obtained the best results in terms of accuracy and sensitivity. Future studies are required to improve these predictive models by expanding the dataset using other parameters and other pavilions of the same hospital.