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1.
Sensors (Basel) ; 24(11)2024 Jun 06.
Article in English | MEDLINE | ID: mdl-38894473

ABSTRACT

Sign language is an essential means of communication for individuals with hearing disabilities. However, there is a significant shortage of sign language interpreters in some languages, especially in Saudi Arabia. This shortage results in a large proportion of the hearing-impaired population being deprived of services, especially in public places. This paper aims to address this gap in accessibility by leveraging technology to develop systems capable of recognizing Arabic Sign Language (ArSL) using deep learning techniques. In this paper, we propose a hybrid model to capture the spatio-temporal aspects of sign language (i.e., letters and words). The hybrid model consists of a Convolutional Neural Network (CNN) classifier to extract spatial features from sign language data and a Long Short-Term Memory (LSTM) classifier to extract spatial and temporal characteristics to handle sequential data (i.e., hand movements). To demonstrate the feasibility of our proposed hybrid model, we created a dataset of 20 different words, resulting in 4000 images for ArSL: 10 static gesture words and 500 videos for 10 dynamic gesture words. Our proposed hybrid model demonstrates promising performance, with the CNN and LSTM classifiers achieving accuracy rates of 94.40% and 82.70%, respectively. These results indicate that our approach can significantly enhance communication accessibility for the hearing-impaired community in Saudi Arabia. Thus, this paper represents a major step toward promoting inclusivity and improving the quality of life for the hearing impaired.


Subject(s)
Deep Learning , Neural Networks, Computer , Sign Language , Humans , Saudi Arabia , Language , Gestures
2.
Cureus ; 16(1): e51985, 2024 Jan.
Article in English | MEDLINE | ID: mdl-38344620

ABSTRACT

Background Psoriasis is an autoimmune disease characterized by the typical appearance of red, thickened, scaly patches on the skin (plaques). These plaques can vary in size and distribution from person to person. In some individuals, it may affect small areas of skin, while in others, large areas covering their body may be involved. Patients with psoriasis might be identified by pediatricians before being seen by dermatologists, highlighting the need for pediatricians to be aware and knowledgeable about pediatric psoriasis. Objective To evaluate the knowledge and management of pediatric psoriasis among pediatricians and pediatric residents in the Makkah region, Saudi Arabia. Methods This was a cross-sectional study using a questionnaire targeted at pediatricians. It inquired about sociodemographic details, knowledge of psoriasis risk factors, diagnosis, management, comorbidity screening, and indications for consulting a dermatologist. The knowledge score cut-off was set at 60%, with scores below this threshold considered indicative of poor knowledge and scores above it reflecting good knowledge. Results A total of 139 participants completed the questionnaire; 103 (74.1%) were from Jeddah, 101 (72.7%) were pediatric residents, 118 (84.9%) were general pediatricians, and 18 (15.1%) were in subspecialties. About a third, 49 (35.3%), reported having seen a child with psoriasis. Most participants, 84 (60.4%), had a good knowledge level regarding psoriasis. The vast majority, 119 (85.6%), stated that topical therapies are the first-line treatment; 105 (75.5%) reported being confident in diagnosing psoriasis, and having previously seen a patient with psoriasis was associated with certainty in diagnosis (p-value=0.048); 82 (59%) referred patients to dermatologists. Physician position (p-value=0.049) and being in a general specialty (p-value=0.048) were associated with higher knowledge. Conclusion Overall, participants had good knowledge of pediatric psoriasis and its management. However, there is still a need for improvement.

4.
BMC Oral Health ; 23(1): 990, 2023 12 09.
Article in English | MEDLINE | ID: mdl-38071326

ABSTRACT

OBJECTIVE: There is growing evidence supporting the presence of oral manifestations associated with COVID-19. The study investigates the knowledge of dental undergraduates and recently graduated dentists concerning oral presentations related to COVID-19. METHODS: A cross-sectional descriptive study in Saudi Arabia comprised 305 individuals, including undergraduate dental students, interns, and freshly graduated dentists. Data were collected using a questionnaire disseminated to approximately 500 subjects via WhatsApp groups and other applications. The questionnaire was tested in a pilot study for validity, edited, and validated by 2 supervisors at the College of Dentistry, Qassim University, Buraydah, Saudi Arabia. The questionnaire consisted of questions regarding sociodemographic attributes, the level of expertise of dental practitioners, and their knowledge and perspectives regarding COVID-19 and the implementation of oral lesions interrelated to it. The data was subjected to analysis through the utilization of descriptive statistics and chi-square tests, employing the statistical software SPSS (version 24). RESULTS: About 43.9% of subjects stated that COVID-19 causes oral symptoms. Respondents most frequently reported COVID-19-related dry mouth. Oral ulcers, Candida infection, Hyperpigmentation, tongue coating, atrophy, Petechiae, Herpes, white lesions, Gingivitis, and Periodontitis are further symptoms. COVID-19's oral manifestation was unknown to 41.0% of subjects, and 37.7% of respondents lacked knowledge regarding the most impacted locations of oral manifestations. Oral signs and COVID-19 symptoms are debated and significantly associated with higher educational levels. CONCLUSION: The dental students and freshly graduated dentists in this study have proper knowledge of COVID-19 and its symptoms. Also, most dental students and newly graduated dentists recognize the potential correlation between COVID-19 and oral manifestations with an average to excellent knowledge of the types and sites commonly affected. The level of awareness was associated with higher educational levels.


Subject(s)
COVID-19 , Humans , Students, Dental , Cross-Sectional Studies , Dentists , Pilot Projects , Professional Role , Saudi Arabia/epidemiology , Surveys and Questionnaires
5.
Int J Ophthalmol ; 16(11): 1814-1819, 2023.
Article in English | MEDLINE | ID: mdl-38028529

ABSTRACT

AIM: To determine the choroidal thickness (CT) in young healthy Saudi adults using spectral-domain optical coherence tomography (SD-OCT) with an automated CT segmentation software. METHODS: Fifty-eight young adults (total of 116 eyes), 39 males and 19 females participated in this study between the ages of 18 and 38y (mean 22.65±3.9y). All participants underwent ophthalmic screening examination, including the SD-OCT for measurements of CT in each quadrant egmented into five eccentric regions starting from the foveal region up to 4.5 mm towards the periphery. RESULTS: The choroid was thickest in the foveal region (central 1 mm, 300±60 µm) and began to progressively thinner beyond the parafovea (1.5-2.5 mm, 284±67 µm) towards the peripheral region (3.5-4.5 mm from the fovea, 254±83 µm). The superior choroid showed the thickest profile (309±57 µm), while the nasal choroid exhibited the thinnest (229±76 µm). The rate of the thinning with increasing eccentricity was more predominant in the nasal choroid, which thinned from the foveal region (294±58 µm) to the peripheral region (158±55 µm). The superior and inferior choroid did not show a statistically significant thinning with eccentricity (all P>0.05). There was no statistically significant difference in the CT between gender, age, and laterality of the eyes (all P>0.05). A significant association of myopia with thinner subfoveal choroid was observed (Pearson's, r=0.37), and regression analysis showed that a 10.3 µm choroidal thinning for each diopter increase of myopia. CONCLUSION: CT profile depends on eccentric and the quadrant. The CT profile across the measured area in the young Saudi adult population is comparable to other previous reports. Refractive error is critical for CT evaluation.

6.
ACS Omega ; 8(43): 40775-40784, 2023 Oct 31.
Article in English | MEDLINE | ID: mdl-37929154

ABSTRACT

Metal-organic frameworks (MOFs), a material known for its multifunctionality, chemical stability, and high surface area, are now commonly utilized as an adsorbent for water treatment. The MOF (MIL-88(Fe)-NH2) was synthesized and used to remove the commonly used toxic herbicide 2,4-dichlorophenoxyacetic acid (2,4-D) from water. The MIL-88(Fe)-NH2 MOF was fully characterized using multiple techniques. A systematic investigation was conducted to evaluate the key parameters that impact the adsorption process, which include coexisting anions, adsorbent dosage, and solution pH. The adsorption isotherm was fitted using the Langmuir model, while the kinetics were fitted using pseudo-second-order. The adsorption process was both chemisorption and endothermic. The capacity for adsorption increased with rising temperatures. The MIL-88(Fe)-NH2 adsorbent has a maximum adsorption capacity of 345.25 mg g-1 for removing 2,4-D, significantly higher than previous adsorbents used for this purpose. The adsorption mechanism could be ascribed to hydrogen bonding, pore filling, π-π conjugations between the 2,4-D molecules and the MIL-88(Fe)-NH2 adsorbent, and electrostatic interactions. Furthermore, the adsorption capacity of MIL-88(Fe)-NH2 adsorbent showed only a slight decrease after five successive recycles, and it could be easily regenerated through solvent washing. When used in environmental water samples, especially those containing electronic wastes, the MIL-88(Fe)-NH2 adsorbent demonstrated satisfactory adsorption capacity and reusability. The MIL-88(Fe)-NH2 adsorbent is more practical and reusable and has better adsorption capacity and shorter equilibrium time compared to previously reported adsorbents.

7.
J Pharm Bioallied Sci ; 15(Suppl 2): S1294-S1297, 2023 Jul.
Article in English | MEDLINE | ID: mdl-37694078

ABSTRACT

Objective: The goal of this study was to see if there was a link between individuals who had a sleeve gastrectomy and their knee discomfort, as well as what factors could influence knee pain after a sleeve gastrectomy. Materials and Methods: The general population of Saudi Arabia was studied in this cross-sectional survey, which took place from August 2021 to February 2022. Only people who had had a sleeve gastrectomy and were experiencing knee discomfort were included in the research. Results: The results revealed that bariatric surgery had improved knee pain status in most of the participants (76%) while (12.1%) complained that the pain worsened after the surgery. The results also showed that nearly half of our participants (49.8%) that complain of knee pain have lost more than 35 kg after bariatric surgery, which illustrates the impact of a number of kilograms (kg) lost after bariatric surgery. Only (12.8%) of the participants considered physiotherapy as an intervention for their knee pain. Also, the results showed that severe pain was considerably more prevalent in the older age group and those with concomitant chronic disease. Conclusions: Our data revealed that a small percentage of participants had worsening knee discomfort, which might be connected to inactivity following sleeve gastrectomy surgery. As a result, we urge that further clinical studies be conducted to learn more about the exacerbation of knee pain after a gastrectomy.

8.
PeerJ ; 11: e16059, 2023.
Article in English | MEDLINE | ID: mdl-37719115

ABSTRACT

Background: Physical activity can improve health-related quality of life (HRQoL) in adults. However, the effect of physical activity on quality of life is unclear among the Saudi adult population. The study aimed to determine the association between physical activity and HRQoL in apparently healthy adults in Jeddah, Saudi Arabia. Methods: This cross-sectional study was conducted among visitors of shopping malls, walking tracks/fitness centres/gyms and governmental hospitals in Jeddah from March to September 2022. Physical activity was measured with the electronic template of the general practice physical activity questionnaire (GPPAQ), while the HRQoL was measured using the 36-Item Short Form Survey (SF-36) questionnaire. A multiple linear regression model investigated the relationship between physical activity and HRQoL. Results: A total of 693 individuals participated in this study, with a mean age of 36 (±11). Individuals who fall in the active category of the physical activity level were mostly younger men (37% vs 21%), were non-smokers (30% vs 10%) and had no comorbid condition (29% vs 15%). After adjusting for covariates, men (adjusted ß 4.43, 95% CI [1.44-7.41]) with higher physical activity levels (active-adjusted ß 10.11, 95% CI [5.44-14.77]) had better scores on the physical component summary (PCS). Similarly, mental component summary (MCS) scores for men (adjusted ß 6.51, 95% CI [3.40-9.63]) and physical activity levels (active-adjusted ß 9.77, 95% CI [4.90-14.64]) were high. Conclusion: The article reinforces how physical activity contributes towards each dimension of HRQoL. Physical inactivity is a growing public health challenge in Saudi Arabia, affecting all age groups. Investing in innovative strategies and establishing targeted health education programs for academic institutions and communities are required to enhance healthy habits. Additionally, constructing more local sports facilities and concession packages, especially for the females at the gyms, can motivate individuals and promote physical activity.


Subject(s)
Exercise , Quality of Life , Female , Male , Humans , Adult , Cross-Sectional Studies , Saudi Arabia , Walking
9.
J Saudi Heart Assoc ; 35(2): 163-168, 2023.
Article in English | MEDLINE | ID: mdl-37404746

ABSTRACT

Background: Electronic cigarettes (e-cigarettes) have been increasing in popularity among young adults due to the misconception about the safety of e-cigarettes. Our study aims to identify the prevalence rate of e-cigarette use among college students, the reason behind their use, and the relationship between the use of electronic cigarettes and cardiovascular symptoms among college students. Methods: An online questionnaire was sent to students of Taibah University between 2021 and 2022. Data from this survey were analyzed to obtain the prevalence of e-cigarette use among Taibah University students and to compare the demographic and health characteristics differences between e-cigarette users and non-users. The prevalence of cardiovascular symptoms was also compared between the two groups. Results: A total of 519 students participated in this study. The prevalence rate of e-cigarette use was 24%. Compared to non-users, e-cigarette users were more likely to be male (71% vs. 40%, p < 0.01), overweight (44% vs. 32%, p = 0.01), and drug users (4% vs. 1%, p = 0.01). E-cigarette users were likelier to complain of cardiovascular symptoms, including chest pain (19% vs. 10%, p = 0.01), shortness of breath (14% vs. 7%, p = 0.02), and palpitation (12% vs. 6%, p = 0.03). The association between e-cigarette use and cardiovascular symptoms was significant even after adjusting for students' characteristics. Students' main reasons for e-cigarette use were to enjoy the flavors of e-cigarettes, quit tobacco smoking, and improve depression. Conclusion: The prevalence rate of e-cigarette use among college students was 24%. The self-reported cardiovascular disease symptoms rate was doubled among e-cigarette users compared to non-users.

10.
J Family Med Prim Care ; 12(1): 55-61, 2023 Jan.
Article in English | MEDLINE | ID: mdl-37025239

ABSTRACT

Purpose: Clubfoot is among the most common musculoskeletal congenital anomalies. Poor understanding of clubfoot can cause lack of awareness that leads to complications in treating this condition because of late medical intervention. This is considered as a significant public health problem, especially in communities where the burden of clubfoot deformity remains unrecognized. We assessed the level of awareness and knowledge on clubfoot among residents of rural areas and determined the knowledge and attitudes of the public toward the risk factors and general consequences of clubfoot. Methods: This cross-sectional study, conducted from January to July 2021, included the general population of small city and rural area residents. The participants completed a self-administered survey on the web. The questionnaire was pre-tested in a pilot study to ensure comprehension and ease of administration. Results: Altogether, 41.6% of the participants recognized the scientific name of clubfoot in their native language, whereas 38.9% identified the disorder after they were shown a photograph of it. The most recognized risk factors of clubfoot according to the participants were family history (52.2%), complicated pregnancy (46.5%), and medications (43.4%). Only 8.8% of the participants considered casting the initial treatment of clubfoot. Conclusion: An individual's residential area plays a role in their level of awareness concerning clubfoot. Our results suggest that many educational interventions for clubfoot must be provided in rural areas, particularly regarding therapeutic options and plans of care.

11.
Cureus ; 15(12): e49950, 2023 Dec.
Article in English | MEDLINE | ID: mdl-38179344

ABSTRACT

BACKGROUND: In patients with type 2 diabetes mellitus (T2DM) and obesity, there is often a vitamin D deficiency, which is crucial for many physiological processes. The enzyme 25-D hydroxylase activates vitamin D, and its status has been linked to glucose and lipid metabolism in these patients. This study investigates the correlation between the levels of 25-D hydroxylase and 25-hydroxyvitamin D, and their impact on glucose and lipid metabolism in Saudi patients with T2DM and obesity. METHODS: This study involved 150 Saudi participants (ages 35-70) of both genders from King Faisal Medical Complex in Taif. The participants were divided into control, type 2 diabetic, and obese diabetic patient groups, with 50 subjects in each group. Serum levels of 25(OH) vitamin D and 25-D hydroxylase were measured using ELISA. In contrast, an automatic analyzer for chemistry tests was used to measure fasting blood glucose (FBG), aspartate transaminase (AST), alanine transaminase (ALT), and lipid profile levels. Hemoglobin A1c (HbA1c)% was analyzed using the automatic glycosylated hemoglobin analyzer. In addition, the body mass index (BMI) value was calculated using the equation (BMI = weight in kilograms/height in meters squared). RESULTS: In obese with T2DM and T2DM patient groups, there were significant increases (p < 0.0001) in BMI, FBG, HbA1c%, total cholesterol (TC), triglycerides (TG), low-density lipoprotein cholesterol (LDL-C), AST, and ALT levels and significant decreases (p < 0.0001) in 25(OH) vitamin D, 25-D hydroxylase, and high-density lipoprotein cholesterol (HDL-C) levels compared to the control group. There were significant positive correlations between vitamin D with 25-D hydroxylase and HDL-C and negative correlations with HbA1c%, FBG, TC, TG, LDL-C, ALT, AST, and BMI in the studied patient groups. CONCLUSIONS: This study shows that lower levels of the enzyme 25-D hydroxylase are linked to reduced vitamin D levels in people with T2DM and obese diabetic patients. Additionally, there was a notable correlation between vitamin D levels and BMI, lipid profile, FBG, HbA1c%, AST, and ALT levels.

12.
Cell Mol Biol (Noisy-le-grand) ; 68(7): 14-21, 2022 Jul 31.
Article in English | MEDLINE | ID: mdl-36495525

ABSTRACT

The current article deals with the in-silico along with enzyme kinetics approach to search for a prominent AChE enzyme inhibitor among the known natural compounds. The computational tools were involved for this purpose and eventual vincamine, a monoterpenoid indole alkaloid, was selected based on several parameters, including free energy of binding (-10.77 kcal/mol) and ADME parameter. Computationally, it confirmed the interaction between vincamine and AChE at an indistinguishable locus from that of substrate AChI (-3.94 kcal/mol) but with much higher binding energy. Interestingly, amino acid residues Gly120, Gly121, Gly122, Glu202, Trp86, Tyr133, Ser203, Phe297, and His447 of AChE were found to be common in these interactions. Further, these findings were approved with wet lab tests where detailed kinetics was studied. It was found that vincamine inhibited AChE with the inhibition constant Ki (239 µM). The value of  IC50 (239 µM) and KM (0.598 mM) was determined and further confirmed by Dixon, Lineweaver- Burk reciprocal, Hanes, and Eadie- Hofstee plots, respectively. The mode of interaction of the compound was found to be competitive for AChE. Thus, the present computational and enzyme kinetics studies conclude that vincamine can be a promising inhibitor of AChE for the effective management of AD.


Subject(s)
Acetylcholinesterase , Vincamine , Acetylcholinesterase/metabolism , Cholinesterase Inhibitors/pharmacology , Cholinesterase Inhibitors/chemistry , Kinetics , Enzyme Inhibitors
13.
Cureus ; 14(11): e31792, 2022 Nov.
Article in English | MEDLINE | ID: mdl-36569712

ABSTRACT

Background Hospital staff, especially nurses, face violence of various forms in the workplace. This study aimed to assess the burden of verbal/physical abuse against nurses and their attitude towards such events in Buraidah, Saudi Arabia. Methods A cross-sectional study was conducted among nurses working in three public sectors and two private sector hospitals, and five primary healthcare facilities in Buraidah. Data was collected using a structured online questionnaire, disseminated among nurses through nursing departments of participating facilities. Data were analyzed using SPSS version 21.0. Results A total of 369 nurses participated in the survey, with a mean age of 34 (±6.9) years. About two-thirds, 68% (250) of respondents, had experienced at least one verbal/physical abuse incident during one year. The most common perpetrators were patients (44.4%). Sixteen percent of participants reported taking no action against the incident. Those working in private facilities were 80% less likely to experience abuse than those in public facilities, adjusted OR 0.20 (95% CI: 0.08-0.47). Conclusions There was a high burden of verbal/physical abuse against nurses, and they, therefore, suffer from disturbing memories. However, a little more than half do not officially report it to the managers, with only a small fraction seeing some action taken. Occupational health practitioners should take action to improve the policy and procedures related to workplace violence (WPV) in healthcare facilities. Further research is needed to characterize incidents to understand the patterns and develop interventions for the prevention of such events.

14.
J Inflamm Res ; 15: 6373-6380, 2022.
Article in English | MEDLINE | ID: mdl-36439947

ABSTRACT

Introduction: Hypereosinophilic syndrome (HES) and immune thrombocytopenic purpura (ITP) have been reported to co-occur with ulcerative colitis (UC). However, the exact pathogenic mechanisms of their occurrence remain elusive. In this article, we aim to describe two cases of UC patients who developed refractory HES and ITP and elaborate on their potential pathogenesis. Case Study: We report two middle-aged patients diagnosed with UC. The first patient developed HES that was refractory to conventional medical therapy of idiopathic HES, and the second developed refractory ITP that failed steroid and immunosuppressive therapy. Both conditions improved considerably following colectomy, suggesting they are of a reactive rather than idiopathic nature. Conclusion: In patients with UC and refractory comorbid HES or ITP, the reactive nature of these comorbidities should be taken into consideration, and colectomy, therefore, should be considered if clinically indicated.

15.
Medicina (Kaunas) ; 58(11)2022 Nov 04.
Article in English | MEDLINE | ID: mdl-36363552

ABSTRACT

Background and Objectives: Postpartum depression (PPD) is a psychological disorder in women who recently gave birth. It can present as mild to severe depression. Multiple studies across the globe have used the Edinburgh Postnatal Depression Scale to reveal the factors that affect the prevalence of PPD. Results from various published studies showed a high prevalence of PPD in Saudi Arabia. The objective of this study is to investigate the major factors that increase PPD and other associated factors. Materials and Methods: An observational cross-sectional study was carried out at primary healthcare centres and military hospitals in Al Kharj. The study measured the rate of PPD among Saudi women during the postpartum period. We studied 279 women aged 19-45 (mean age 31.91, SD ± 6.45) in their postpartum period and followed up to 2 months after delivery. Results: The prevalence of PPD in our cohort was 32.8%. Multivariate logistic regression analysis showed that previous depression diagnosis (p = 0.001), lower education status (p = 0.029), unemployment (p = 0.014), and delivery disposition of C-section (p = 0.002) remained associated with an increased risk of developing PPD. Conclusions: The increasing number of Saudi women with PPD demonstrates that it is a highly prevalent condition. PPD affects not only the health of the mother but also that of her baby and other family members. Our results showed that the history of diagnosed depression, lower education status, unemployment, and delivery disposition of C-sections were independent predictors of PPD development. Raising awareness and controlling the vulnerable factors could decrease the high risk of its effects.


Subject(s)
Depression, Postpartum , Humans , Female , Adult , Depression, Postpartum/epidemiology , Prevalence , Saudi Arabia/epidemiology , Cross-Sectional Studies , Mothers/psychology , Risk Factors
16.
Molecules ; 27(19)2022 Sep 26.
Article in English | MEDLINE | ID: mdl-36234862

ABSTRACT

Hydrogen production is produced for future green energy. The radiation-chemical yield for seawater without a catalyst, with Zr, and with Zr1%Nb (Zr = 99% Nb = 1%) were (G(H2) = 0.81, 307.1, and 437.4 molecules/100 eV, respectively. The radiation-thermal water decomposition increased in γ-radiation of the Zr1%Nb + SW system with increasing temperature. At T = 1273 K, it prevails over radiation processes. During the radiation and heat radiation heterogeneous procedures in the Zr1% Nb + SW system, the production of surface energetic sites and secondary electrons accelerated the accumulation of molecular hydrogen and Zr1%Nb oxidation. Thermal radiation and thermal processes caused the metal phase to collect thermal surface energetic sites for water breakdown and Zr 1%Nb oxidation starting at T = 573 K.

17.
Front Chem ; 10: 1034911, 2022.
Article in English | MEDLINE | ID: mdl-36247661

ABSTRACT

Human noroviruses (NV) are the most prevalent cause of sporadic and pandemic acute gastroenteritis. NV infections cause substantial morbidity and death globally, especially amongst the aged, immunocompromised individuals, and children. There are presently no authorized NV vaccines, small-molecule therapies, or prophylactics for humans. NV 3 C L protease (3CLP) has been identified as a promising therapeutic target for anti-NV drug development. Herein, we employed a structure-based virtual screening method to screen a library of 700 antiviral compounds against the active site residues of 3CLP. We report three compounds, Sorafenib, YM201636, and LDC4297, that were revealed to have a higher binding energy (BE) value with 3CLP than the control (Dipeptidyl inhibitor 7) following a sequential screening, in-depth molecular docking and visualization, physicochemical and pharmacological property analysis, and molecular dynamics (MD) study. Sorafenib, YM201636, and LDC4297 had BEs of -11.67, -10.34, and -9.78 kcal/mol with 3CLP, respectively, while control had a BE of -6.38 kcal/mol. Furthermore, MD simulations of the two best compounds and control were used to further optimize the interactions, and a 100 ns MD simulation revealed that they form stable complexes with 3CLP. The estimated physicochemical, drug-like, and ADMET properties of these hits suggest that they might be employed as 3CLP inhibitors in the management of gastroenteritis. However, wet lab tests are a prerequisite to optimize them as NV 3CLP inhibitors.

18.
Environ Technol ; : 1-10, 2022 Oct 02.
Article in English | MEDLINE | ID: mdl-36052577

ABSTRACT

Fast electroflotation extraction of heavy metals from wastewater is described. The results of experimental investigations of the extraction of iron, aluminium and chromium hydroxides from aqueous solutions in the presence of surfactants of various natures and ions of calcium by electroflotation are presented. It was found that the presence of Ca2+ in the solution at a concentration of 0.5 g/L reduced the degree of electroflotation extraction of Al(OH)3, Fe(OH)3, Cr(OH)3 regardless of the nature of the electrolyte. The addition of surfactants in the system in the presence of Ca2+ increased the amount of extraction of the dispersed phase. The greatest effect is achieved with the help of anionic surfactant sodium dodecyl sulphate, while the degree of extraction reached 98%. The high efficiency of the process of electroflotation extraction of the dispersed phase was due to the hydrophobization of the particle surface owing to the adsorption of surfactants on the surface of hydroxides. The recent method is useful to treat wastewater contaminated with aluminium, iron and chromium metal ions. The reason is that this method is very fast working within 20 min; Moreover, pH 7.0 working made this method ideal for utilisation in natural water treatment economically.

19.
Molecules ; 27(17)2022 Aug 31.
Article in English | MEDLINE | ID: mdl-36080391

ABSTRACT

A novel polyaniline-modified CNT and graphene-based nanocomposite (2.32-7.34 nm) was prepared and characterized by spectroscopic methods. The specific surface area was 176 m2/g with 0.232 cm3/g as the specific pore volume. The nanocomposite was used to remove zinc and lead metal ions from water; showing a high removal capacity of 346 and 581 mg/g at pH 6.5. The data followed pseudo-second-order, intraparticle diffusion and Elovich models. Besides this, the experimental values obeyed Langmuir and Temkin isotherms. The results confirmed that the removal of lead and zinc ions occurred in a mixed mode, that is, diffusion absorption and ion exchange between the heterogeneous surface of the sorbent containing active adsorption centers and the solution containing metal ions. The enthalpy values were 149.9 and 158.6 J.mol-1K-1 for zinc and lead metal ions. The negative values of free energies were in the range of -4.97 to -26.3 kJ/mol. These values indicated an endothermic spontaneous removal of metal ions from water. The reported method is useful to remove the zinc and lead metal ions in any water body due to the high removal capacity of nanocomposite at natural pH of 6.5. Moreover, a low dose of 0.005 g per 30 mL made this method economical. Furthermore, a low contact time of 15 min made this method applicable to the removal of the reported metal ions from water in a short time. Briefly, the reported method is highly economical, nature-friendly and fast and can be used to remove the reported metal ions from any water resource.


Subject(s)
Graphite , Nanocomposites , Water Pollutants, Chemical , Water Purification , Adsorption , Aniline Compounds , Graphite/chemistry , Hydrogen-Ion Concentration , Ions , Kinetics , Metals , Nanocomposites/chemistry , Thermodynamics , Water/chemistry , Water Pollutants, Chemical/chemistry , Water Purification/methods , Zinc
20.
Molecules ; 27(16)2022 Aug 10.
Article in English | MEDLINE | ID: mdl-36014341

ABSTRACT

Tannery industries are one of the extensive industrial activities which are the major source of chromium contamination in the environment. Chromium contamination has been an increasing threat to the environment and human health. Therefore, the removal of chromium ions is necessary to save human society. This study is oriented toward the preparation of a new triazole Schiff base derivatives for the remediation of chromium ions. 4,4'-((1E)-1,2-bis ((1H-1,2,4-triazol-3-yl) imino)ethane-1,2-diyl) diphenol was prepared by the interaction between 3-Amino-1H-1,2,4-triazole and 4,4'-Dihydroxybenzil. Then, the produced Schiff base underwent a phosphorylation reaction to produce the adsorbent (TIHP), which confirmed its structure via the different tools FTIR, TGA, 1HNMR, 13CNMR, GC-MS, and Phosphorus-31 nuclear magnetic resonance (31P-NMR). The newly synthesized adsorbent (TIHP) was used to remove chromium oxyanions (Cr(VI)) from an aqueous solution. The batch technique was used to test many controlling factors, including the pH of the working aqueous solution, the amount of adsorbent dose, the initial concentration of Cr(VI), the interaction time, and the temperature. The desorption behaviour of Cr(VI) changes when it is exposed to the suggested foreign ions. The maximum adsorption capacity for Cr(VI) adsorption on the new adsorbent was 307.07 mg/g at room temperature. Freundlich's isotherm model fits the adsorption isotherms perfectly. The kinetic results were well-constrained by the pseudo-second-order equation. The thermodynamic studies establish that the adsorption type was exothermic and naturally spontaneous.


Subject(s)
Water Pollutants, Chemical , Water Purification , Adsorption , Chromium/chemistry , Humans , Hydrogen-Ion Concentration , Ions , Kinetics , Schiff Bases , Triazoles , Wastewater , Water Pollutants, Chemical/chemistry , Water Purification/methods
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