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Objectives: This study aimed to identify whether the lingual canals of the mandible can be used as a unique fingerprint when dealing with forensic victim identification. Materials and Methods: The study consisted of two parts; an observational part and an objective image analysis part. In the observational part a total of 100 in vivo high resolution CBCT datasets of human mandibles were included in the process of simulated matching of ante-mortem (AM) and post-mortem (PM) data. For the objective image analysis part 10 dry human mandibles were scanned with 2 different Cone Beam Computed tomography (CBCT) machines. In the observational part of the study trained observers attempted to correctly identify matching pairs of images taken from the same mandible out of a series of 100 mandibles. The aim was to simulate matching of the neurovascular structures on AM and PM mandibular midline images and determine the percentage of mandibles identified correctly. In the objective image analysis part, simulated matching was carried out using a specific CBCT dataset acquired to mimic a PM dataset and 10 datasets acquired from a different CBCT device which served as the source of potential AM cases. Comparison between AM and PM datasets resulted in the matching of the AM data and PM data obtained from the same mandible, leading to an assumed correct identification. Results: The observational part of the study showed an average 95% correct identification of the mandibular midline neurovascular structures. Registration of mandibles resulted in perfect overlap of the same mandible from 2 different CBCT machine with an error distance equalling zero, while the registration of different mandibles deviated on average error distance 0.13mm to 0.18mm. Conclusion: The percentage of fit for the simulated AM and PM data of the same mandible was 100%. This finding together with the significant deviations noted for the non-matching cases, may have a potential role in forensic identification in the same way that fingerprints are recognised as being a unique identifying feature. [ABSTRACT FROM AUTHOR]

An endophyte Bartalinia pondoensis Marinc of Citrus aurantum L. var. dulcis was isolated and studied for its secondary metabolites and for their Mycobacterium tuberculosis shikimate kinase ( Mt SK) inhibitory activities. Using LC–MS metabolite fingerprinting of the constituents of the methanol extract, 19 compounds pertaining to various classes were identified: amino acids, proto-alkaloids, fatty acid amides and oxazole, aniline derivatives and aromatic compounds. We report here for the first time the presence of the [N-(ethyloxy, hydroxymethyl)phenylethylamine] as a new proto-alkaloid and 18 other known compounds are reported for the first time in the genus of Bartalinia . Mt SK inhibitory activities of methanol extract and fractions obtained by solid phase extraction (SPE) at a concentration of 50 μg/mL may be attributed to the presence of aniline and oxazole derivatives present in all fractions in varying concentrations. [ABSTRACT FROM AUTHOR]

Purpose: To examine the frequency and significance of visualization of popliteal nodes during lymphoscintigraphy for the investigation of lower extremity swelling. Materials and Methods: Technetium-99m-labeled nanocolloid was injected subcutaneously in the first web spaces of both feet of 90 patients (24 males, 66 females; age range, 4-70 years) who had clinical evidence of lower limb lymphedema and were referred for routine lymphoscintigraphy; imaging was performed 5, and 90 minutes after injection without any vigorous exercise between the injection and imaging. Results: According to the scan findings, patients were divided into two groups; group I included 63 patients without popliteal nodes visualization on scanning, and group II included 27 patients with positive popliteal nodes uptake. None of patients with primary lymphedema (N = 22) due to agenesis or hypoplasia showed popliteal node uptake, whereas, patients with secondary lymphedema (N = 68) had either severe (N = 23) or partial (N = 45) lymphatic obstruction. A high positive association of popliteal node uptake with the severity of lymphatic obstruction was noted. Popliteal nodes were visualized in 26 of 57 patients with dermal back flow (46%), and in only 1 of 33 patients without dermal back flow (3%). There was a strong association between skin rerouting and popliteal node visualization (P < 0.01). Skin changes were detected in 24 patients (38%) with positive popliteal node uptake. Conclusion: Popliteal lymph nodes uptake during lymphoscintigraphy for clinical lymphedema of the lower limb indicates lymph rerouting through the deep system and raises a diagnosis of higher severity and longer duration of lymphatic dysfunction. [ABSTRACT FROM AUTHOR]

Background: Many studies on recurrent disc herniation exist, however only mixed patient populations have been analyzed. Recurrent herniation following disc excision has been reported in 5-11% of patients. Objectives: To analyze the factors that influenced the outcomes of repeat discectomy through a retrospective evaluation of 31 patients with recurrent lumbar disc herniation. Methods: Recurrent lumbar disc herniation is considered when an ipsilateral or contralateral disc herniation at the same level happens, with a pain-free interval more than 6 months. MRI with contrast was done and revision surgery was performed in all patients using conventional open discectomy. Results: The mean pain-free interval was 31 months. During the revision surgery the disc pathology was of the contained type in 8 patients and the noncontained type in 23 patients. Epidural fibrosis was seen in 29 patients. All patients had follow-up of at least 1 year. At the final follow-up, their average JOA score was 24, with the average recovery rate of 72%. There were no demonstrated effects from age, sex, traumatic events, level of herniation, procedures of revision surgery, or dural tear on the recovery rate. However a negative impact on the recovery rate was found related to the following factors: times of prior surgery, side of recurrence, pain-free interval, duration of recurrence symptoms, associated spinal stenosis. Conclusion: A revision surgery for recurrent lumbar disc herniation showed satisfactory results that were comparable with those of primary discectomy, therefore a repeat discectomy can be recommended for the management of recurrent lumbar disc herniation. [ABSTRACT FROM AUTHOR]

Objective: Although most cases with spina bifida cystica could be closed by primary skin closure with or without undermining its edges, about 25% of patients have large defects not amenable for closure by these simple methods. We conducted this study to review our techniques in closing spina bifida cystica defects. Methods: We retrospectively reviewed the data of consecutive 21 patients diagnosed with spina bifida cystica in our setting. According to the surface area of the defect, the approach was decided; primary closure for small defects (11 cases) and flap-based approach for large defects (10 patients). Results: The age of the included pediatric patients ranged between 3 and 75 days. For the primary closure cases, a vertical incision was done in seven cases. For the flap-based group, bilateral rotation transposition flap was done for circular defects (7 cases) while elliptical ones were repaired via bilateral V–Y flap. Complete skin healing was achieved after two weeks (range 12–18 days) in most cases. Complications were as follows; for the primary closure group, cerebrospinal fluid leakage (18.18%%), partial wound dehiscence (18.18%) and superficial surgical site infection (9.09%). In the flap-based group, CSF leakage (20%), superficial surgical site infection (10%), and distal flap necrosis (30%) were detected. Reoperation for wound complication was needed only in one case in the flap-based group. Conclusions: Flap-based procedures are recommended for patients with large spina bifida cystica defects because of less tissue dissection and low complication rates. Primary closure should be kept for small defects. [ABSTRACT FROM AUTHOR]

This study investigates the simulation of electric field distribution and the characterization of Co3O4/carbon nanotube (CNT)-filled polyvinyl chloride (PVC) nanocomposites for potential applications in medium-voltage cables. The nanocomposites were prepared by incorporating Co3O4 nanoparticles and varying concentrations of CNTs (0, 0.1, 0.15, 0.20, and 0.25% by weight) into a PVC matrix. The UV–Vis spectroscopy revealed an absorption edge of 3.75 eV, a direct bandgap of 5.15 eV, an Urbach tail energy of 0.4594 eV, and a carbon cluster parameter of 44.617 for the PVC/Co3O4 + 0.25% CNT nanocomposite film. Incorporating CNTs enhanced the AC conductivity, dielectric constant, and dielectric loss compared to the pure Co3O4 sample. The highest AC conductivity (7.46 × 10–4 S/m) was achieved for the PVC/Co3O4 + 0.25% CNT nanocomposite. COMSOL Multiphysics simulations were performed to study the electric field distribution in medium-voltage cables made of PVC and PVC/Co3O4 + 0.25% CNT nanocomposites. The simulations revealed a more uniform electric field distribution in the nanocomposite cable than the pure PVC cable, owing to Co3O4 nanoparticles and CNTs. The novelty of this study is improved uniformity in the electric field distribution for medium-voltage cable applications. [ABSTRACT FROM AUTHOR]

• Long-term exposure to lead resulted in its accumulation in rat liver. • Lead-induced hepatic oxidative stress, inflammation and apoptosis. • It increased hepatic NO level and decreased HO-1 concentration and H 2 S level. • Decreasing NO level and increasing H 2 S and CO levels afforded hepatic protection. • Inhibition of oxidative stress, inflammation and apoptosis provided this protection. The interrelationship between gasotransmitters and oxidative stress, inflammation and apoptosis in lead-induced hepatotoxicity was investigated in this study. On prolonged exposure, lead was accumulated in liver tissue of rats and impaired liver function and structure as assessed by measurement of the serum hepatic function markers and by histopathological examination. The accumulated metal induced oxidative stress, inflammation and apoptosis in the liver. Also, it increased nitric oxide (NO) production and decreased hydrogen sulfide (H 2 S) level and heme oxygenase (HO-1) concentration in liver tissue. Decreasing of NO production by L-N(G)-nitroarginine methyl ester (L-NAME) and increasing of H 2 S level by sodium hydrosulfide (NaHS) and carbon monoxide (CO) level by carbon monoxide-releasing molecule-A 1 (CORM-A 1) inhibited lead-induced impairment of liver function and structure. Concomitantly, these agents inhibited lead intoxication-induced oxidative stress, inflammation, apoptosis, nitrosative stress and reduction of HO-1 concentration and H 2 S level. Furthermore, concurrent treatment with these agents inhibited lead intoxication-induced increase in the protein expressions of inducible NO synthase, tumor necrosis factor-alpha, interleukin-1beta and caspase-3 as well as decrease in protein expressions of HO-1 and cystathionine- γ -lyase in the liver. NO donor, l -arginine and H 2 S and CO biosynthesis inhibitors, trifluoro-DL-alanine and zinc deutroporphyrin, respectively aggravated the toxic effects of lead. These results indicate, for the first time, that there is an interrelationship between gasotransmitters and lead-induced hepatotoxicity. The ability of L-N AME, NaHS and CORM-A 1 to provide protective effects against lead-induced hepatotoxicity may positively correlate, to their ability to suppress hepatic oxidative stress, nitrosative stress, inflammation and apoptosis. [ABSTRACT FROM AUTHOR]

Evidence indicates that dental pulp stem cells (DPSC) secrete neurotrophic factors which play an important role in neurogenesis, neural maintenance and repair. In this study we investigated the trophic potential of DPSC-derived conditioned medium (CM) to protect and regenerate isolated primary trigeminal ganglion neuronal cells (TGNC). DPSC and TGNC were harvested by enzymatic digestion from Wister-Hann rats. CM was collected from 72 h serum-free DPSC cultures and neurotrophic factors; nerve growth factor (NGF), brain-derived neurotrophic factor (BDNF), neurotrophin-3 (NT-3), and glial cell line-derived neurotrophic factor (GDNF) were analysed by specific enzyme-linked immunosorbent assays (ELISAs). Primary co-cultures of DPSC and TGNC were established to evaluate the paracrine effects of DPSC. In comparison, NGF was used to evaluate its neurotrophic and neuritogenic effect on TGNC. Immunocytochemistry was performed to detect the neuronal-markers; neuronal nuclei (NeuN), microtubule-associated protein-2 (MAP-2) and βIII-tubulin. Quantitative real time polymerase chain reaction (qRT-PCR) was used to analyse neuronal-associated gene expression of NeuN, MAP-2, βIII-tubulin in addition to growth-associated protein-43 (GAP-43), Synapsin-I and thermo-sensitive transient receptor potential vanilloid channel-1 (TRPV1). DPSC-CM contained significant levels of NGF, BDNF, NT-3 and GDNF. DPSC and DPSC-CM significantly enhanced TGNC survival with extensive neurite outgrowth and branching as evaluated by immunocytochemistry of neuronal markers. DPSC-CM was more effective in stimulating TGNC survival than co-cultures or NGF treated culture. In comparison to controls, DPSC-CM significantly upregulated gene expression of several neuronal markers as well as TRPV1. This study demonstrated that DPSC-derived factors promoted survival and regeneration of isolated TGNC and may be considered as cell-free therapy for TG nerve repair. [ABSTRACT FROM AUTHOR]

Background: Traumatic brain injury (TBI) is a major medical and social concern in developing countries. TBI-related morbidity and mortality statistics in Egypt are lacking and do not reflect the actual magnitude of the problem. Objectives: To overview the incidence of moderate and severe head trauma in a heavily populated developing country and document the outcome of moderate and severe TBI associated with skull base fracture (SBF). Methodology: Data of patients admitted to our center with moderate and severe TBI associated with skull base fracture (SBF) were reviewed in the period between January 2019 and March 2023. Results: The most common type of trauma was road traffic accidents in 54.2% of the patients; 91.2% had Single SBF (middle cranial fossa fracture was predominant 58.5%). 25.5% had an initial GCS of ≤ 8. Periorbital ecchymosis was the most common presenting sign in 36.3%. The most frequent complication (37.3%) was pneumocephalus. The presence of skull base fracture inversely affected the Glasgow outcome scale extended GOSE (P = 0.001, r = 0.674). Higher initial GCS scores were positively correlated with good GOSE (GOSE) (P = 0.001, r =− 0.222). Conclusions: RTA represents a significant cause for moderate and severe TBI in young male population. SBF is associated with poor outcome in moderate and severe TBI. Higher initial GCS score was positively correlated with good GOSE. It is important to have an overview of different types of TBI in Egypt. [ABSTRACT FROM AUTHOR]

Previous research has shown the importance of conducting early interventions in mathematics in disadvantaged children. Solving arithmetical word problems is a field in which children particularly fail. In this study, preschoolers from disadvantaged French public schools (n = 101; Mage = 5–6) were taught strategies for using fingers to solve arithmetic word problems and compared with a control group. The intervention consisted of collective rituals based on learning finger patterns and 7 sessions spread over 4 weeks, for about 20 min, focusing on explaining how to use the fingers to solve problems. The results showed that the intervention has a significant post-test impact on the targeted transformation problem-solving skill and that children with lower performances in problem-solving at the pre-test benefited more from the intervention. The intervention also indirectly benefited the other problem-solving skills. However, there was no intervention effect on the arithmetic addition task. Our research highlights that an intervention focused on the explicit teaching of finger strategies for problem-solving can be successfully implemented into ecological learning contexts, especially in disadvantaged areas. [ABSTRACT FROM AUTHOR]

We investigate the effect of neodymium and lanthanum on zirconia radiation shielding and structural properties. To achieve this, new La/Nd-doped ZrO 2 nanomaterials were synthesized and analyzed via various experimental techniques, including energy-dispersive X-ray spectroscopy, scanning electron microscopy, transmission electron microscopy, and X-ray diffraction, to determine the fabricated materials' structure, chemical composition, and morphology. Additionally, to enable the estimation of the effect of the ZrO 2 phase transition on the synthesized La/Nd-doped ZrO 2 nanomaterials' γ-ray shielding properties, Monte Carlo simulation was used. The simulated data revealed that the fabricated materials' linear attenuation coefficient decreased slightly from 17.584 cm−1–17.442 cm−1 at 0.059 MeV, from 0.382 cm−1 to 0.375 cm−1 at 0.662 MeV, from 0.253 cm−1 to 0.248 cm−1 at 1.408 MeV, and from 0.180 cm−1 to 0.176 cm−1 at 15 MeV with decrease of the fraction of the tetragonal phase from 84 % to 57 %. The reduction in the linear attenuation coefficient is associated with increased thickness in terms of the fabricated materials' Pb equivalent and half values. • Neodymium–Lanthanum nanocomposite with doped zirconia synthesized. • XRD, SEM, TEM, and EDX characterization of the composites. • Monte Carlo simulation for estimating attenuation capacity. • Significant enhancement in γ-photon shielding properties. [ABSTRACT FROM AUTHOR]

Purpose: Post infective hydrocephalus (PIH) is a type of hydrocephalus which occurs after an infection of the brain or cerebrospinal fluid (CSF). Treatment of PIH requires temporary measures such as external ventricular drain (EVD) and ventriculosubgaleal shunt (VSGS) until CSF becomes clear and ready to implement VP shunt. Limited research has been done to explore the tradeoff between these approaches particularly in pediatric PIH patients. Our study compares the complications, mortality rates, and the cost of used resources of both procedures. Methods: A prospective study was conducted for 18 months in which we compared between VSGS and EVD for management of PIH involving 42 randomized cases with 21 patients in group A operated by VSGS and 21 patients in group B operated by EVD. Results: Our results show a statistically significant difference between both groups in the duration of implementation of VSGS/EVD until resolution of infection occurs. Additionally, a higher rate of pediatric intensive care unit (PICU) admission and a longer length of hospital stay (LOS) were recorded among the EVD group. No statistically significant difference between the number of complications that happened in both despite variations in their forms. Moreover, both groups showed nearly similar mortality rates. Conclusion: There is no significant difference in the rate of complications between VSGS and EVD for PIH. Based on that, VSGS emerges as a favorable and cost-effective option for the management of PIH which leads to less economic burden on patients and the country's health resources, especially in developing countries. [ABSTRACT FROM AUTHOR]

• Higher seroprevalence of T. gondii infection in brain tumor cases (62.5 %) compared to healthy controls (38 %). • Glioma cases had 100 % toxoplasmosis seroprevalence. • Significant association of toxoplasmosis seropositivity and the risk of childhood brain tumors (odds ratio: 2.7). Childhood brain tumors are a significant global health challenge, yet the etiology of these tumors remains elusive. While research has identified potential risk factors, recent studies have explored the involvement of infectious agents, particularly Toxoplasma gondii (T. gondii), in brain tumor development. This study aimed to explore the prevalence of T. gondii infection in children diagnosed with brain tumors and to investigate the potential association between T. gondii infection and childhood brain tumors in Egypt. A total of 64 children with brain tumors and 92 healthy controls were enrolled in this study. Demographics and risk factors data were collected using structured questionnaires. Serological assay using ELISA technique was performed to detect anti- T. gondii antibodies in both cases and control groups. This study revealed a significantly higher seroprevalence of T. gondii infection in brain tumor cases (62.5 %) compared to healthy controls (38 %). Furthermore, a strong association was observed between T. gondii seropositivity and childhood brain tumors (odds ratio: 2.7). Notably, the consumption of unwashed vegetables emerged as a significant risk factor for T. gondii infection in Egypt. Analysis of T. gondii seroprevalence across different subtypes of brain tumors revealed varying rates, with glioma cases displaying a striking 100 % seroprevalence. These findings support the hypothesis that T. gondii infection may be a risk factor for childhood brain tumors and emphasize the need for further research in this area. The study also highlights the potential implications of control of T. gondii infection for prevention and treatment of childhood brain tumors. [ABSTRACT FROM AUTHOR]

Ammonia is a colorless gas, yet it can be fatal if inhaled or ingested in high enough concentrations. Herein, a solid-state colorimetric smart wool (WL) sensor for ammonia was developed. Common hop (Humulus lupulus L.) is a natural resource of spectroscopical dyestuff known as xanthohumol (XN). Wool fabrics were dyed with different concentrations of xanthohumol extract using the high-temperature high-pressure method in the presence of a mordant. The coloration parameters and absorption spectra were employed to explore the yellow-to-white colorimetric shift of the wool fabric after it was exposed to aqueous ammonia. The wool fabric showed an excellent detection limit of 5 to 125 ppm. When the ammonia concentration was increased, the absorbance spectra demonstrated a hypsochromic shift from 498 nm to 367 nm. This could be attributed to changes in the molecular structure of xanthohumol that happen owing to intramolecular charge delocalization. Using transmission electron microscopy (TEM), the mordant/xanthohumol nanoparticles were measured to have diameters of 15–40 nm. The xanthohumol-finished wool fabrics showed good colorfastness properties. The incorporation of mordant/xanthohumol nanoparticles into wool fabrics showed no negative effects on their stiffness or air-permeability. • Xanthohumol extract from common hop (Humulus lupulus L.) plant was applied to wool. • Color change from yellow (498 nm) to white (367 nm) was detected under ammonia. • Real-time detection was monitored with a detection limit of 5–125 ppm. • Nanoparticles (15–40 nm) of mordant/xanthohumol complex were detected. • Comfort properties of wool textile were maintained unaffected by dyeing. [ABSTRACT FROM AUTHOR]

Several municipal seismic vulnerability investigations have been identified pounding of adjacent structures as one of the main hazards due to the constrained separation distance between adjacent buildings. Consequently, an assessment of the seismic pounding risk of buildings is superficial in future adjustment of design code provisions for buildings. The seismic lateral oscillation of adjacent buildings with eccentric alignment is partly restrained, and therefore a torsional response demand is induced in the building under earthquake excitation due to eccentric pounding. In this paper, the influence of the eccentric seismic pounding on the design demands for adjacent symmetric buildings with eccentric alignment is presented. A mathematical simulation is formulated to evaluate the eccentric pounding effects on the seismic design demands of adjacent buildings, where the seismic response analysis of adjacent buildings in series during collisions is investigated for various design parameters that include number of stories; in-plan alignment configurations, and then compared with that for no-pounding case. According to the herein outcomes, the effects of seismic pounding severity is mainly depending on characteristics of vibrations of the adjacent buildings and on the characteristics of input ground motions as well. The position of the building wherever exterior or interior alignment also, influences the seismic pounding severity as the effect of exposed direction from one or two sides. The response of acceleration and the shear force demands appear to be greater in case of adjacent buildings as seismic pounding at different levels of stories, than that in case of no-pounding buildings. The results confirm that torsional oscillations due to eccentric pounding play a significant role in the overall pounding-involved response of symmetric buildings under earthquake excitation due to horizontal eccentric alignment. [ABSTRACT FROM AUTHOR]

Objective To define the role of neuroendoscopy as an adjuvant technique for the management of pediatric complex hydrocephalus. Methods We performed a retrospective analysis of a series of pediatric patients who had undergone surgery for complex hydrocephalus from January 2002 to March 2017 at 2 pediatric neurosurgery units in Rome, Italy and Mansoura, Egypt. The endoscopic procedures performed included cyst or membrane fenestration, septum pellucidotomy, foraminoplasty, and aqueductoplasty with or without a stent. In selected cases, endoscopic third ventriculostomy was performed as a combined procedure. The mean follow-up period was 5 years. Results A total of 68 patients (26 females, 42 males), with a mean age of 2 years (range, 0–18), underwent 109 endoscopic procedures. Of the 68 patients, 39 (57%) were affected by multiloculated hydrocephalus, 17 by isolated lateral ventricle (24.6%), 3 by an excluded lateral ventricle horn (4.3%), 7 by an isolated fourth ventricle (10.1%), and 1 each by an isolated third ventricle and a cavum septi pellucidi cyst. The overall postoperative complications rate was 28% (shunt infection, 16.1%; shunt malfunction, 8.8%; subdural collection, 2.9%). At the latest clinical follow-up visit, 65% of the children had only 1 shunt, 25% (n = 17) had a double ventricular catheter, and 10% (n = 7) were shunt free. Conclusions We have confirmed that neuroendoscopy has a main role in the long-term management of complex hydrocephalus, significantly contributing to the reduction of the number of shunts and the shunt revision rate. Neuronavigation should be performed in all cases in which the ideal trajectory should be established. Highlights • Neuroendoscopy for management of pediatric complex hydrocephalus. • A total of 68 patients underwent 109 endoscopic procedures; the mean follow-up period was 5 years. • A reduction in the number of needed shunts in most cases was obtained. • In selected cases, the use of a permanent shunt was avoided. [ABSTRACT FROM AUTHOR]

[Display omitted] • N -((4-(N -(Diaminomethylene)sulfamoyl)phenyl)carbamothioyl)acrylamide 4 and its nanogel 5 as dual VEGFR-2/EGFRT790M were designed and synthesized. • In vitro cytotoxic activities were evaluated against four human cell lines HepG2, A549, MCF-7 and HCT-116. • In vitro VEGFR-2/EGFRT790M kinase assays was carried out. • In silico Molecular docking and ADMET profile studies were carried out. The popularity of nanogel as nano drug carrier lies in its adjustable physical properties, and the ability to encapsulate drug particles with improved properties is being developed to meet the diverse pH-sensitive nanogel for anticancer agent. Monitoring pH has been identified as an important diagnostic element during the treatment process. A pH-sensitive nanogel consisting of (PEG/PMAc) in the ratio of (50:50%) has been cross-linked by γ-irradiation techniques at an irradiation dose of 5 kGy. Compound 4 and its nanogel 5 were synthesized and assessed for their anticancer effects against HepG2, A549, MCF-7 and HCT-116 as dual VEGFR-2 and EGFR tyrosine kinases inhibitors. The molecular design was performed to investigate the binding mode of compound 4 with VEGFR-2 and EGFR receptors. Our compound 5 in nanogel showed enhanced anticancer activities against the four tested cancer cell lines and also showed higher inhibition activities against VEGFR-2 and EGFRT790M kinases than the derivative 4. Finally, our derivative 4 showed good in silico calculated ADMET profile. It was expected to show good GIT absorption in human, lower CNS side effects, no hepatotoxic actions and higher acute and oral chronic toxic doses in comparing to sorafenib and erlotinib. The obtained results showed that, our compound could be useful as a template for future design, optimization, adaptation and investigation to produce more potent and selective dual VEGFR-2/EGFRT790M inhibitors with higher anticancer activity. [ABSTRACT FROM AUTHOR]

In the present work, we investigated three methoxy-substituted phenylthienylbenzamidine derivatives namely: monocationic 2,5-diarylthiophenes namely; 2-(4-amidinophenyl)-5-(4-methoxyphenyl)thiophene hydrochloride salt (MA-1313), 2-(4-amidinophenyl)-5-(3,5-dimethoxyphenyl)thiophene hydrochloride salt (MA-1314), 2-(4-amidino-3-fluorophenyl)-5-(3,5-dimethoxyphenyl)thiophene hydrochloride salt (MA-1216) as corrosion inhibitors for C-steel in 1 M HCl using weight loss (WL), potentiodynamic (PP) polarization, electrochemical impedance spectroscopy (EIS), electrochemical frequency modulation (EFM), surface examinations by energy dispersion spectroscopy (EDX) and scanning electron microscopy (SEM). Theoretical studies such as quantum chemical and molecular simulations studies were used to support the experimental findings. The experimental results revealed that the effectiveness of thienyl benzamidine derivatives increases with increasing the concentration of inhibitors in test solution, while it reduces as the temperature increases. The inhibition efficiency (%IE) of MA-1313 reaches to 95% at 21 × 10−6 M by EFM tests. The adsorption of the studied phenylthienylbenzamidine derivatives on the surface of C-steel obeys Langmuir adsorption isotherm. By calculating some relevant thermodynamic parameters, the adsorption-free energy values for investigated inhibitors have been obtained and discussed. The adsorption of the investigated compounds on C-steel was spontaneous process and rises in the same trend as the effectiveness of inhibition. Polarization curves indicated that the studied cationic 2,5-diarylthiophenes are mixed-type inhibitors, but mainly in the cathodic region than anodic domain. There is strong consensus between the results obtained from chemical and electrochemical methods. • 2,5-Diarylthiophenes were used as novel corrosion inhibitor. • The adsorption of 2,5-diarylthiophenes follows the Langmuir adsorption isotherm. • Corrosion mechanism was studied by electrochemical methods. • Polarization studies revealed the mixed type behavior for these molecules. • The quantum calculations illustrate the corrosion inhibitive molecular properties of 2,5-diarylthiophenes. [ABSTRACT FROM AUTHOR]