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However, the mechanical response of the different blends increases with respect to the neat electrospun PCL, offering the possibility to modulate their properties according to the required industrial applications.Molecular dynamics (MD) simulation is a rigorous theoretical tool that when used efficiently could provide reliable answers to questions pertaining to the structure-function relationship of proteins. Data collated from protein dynamics can be translated into useful statistics that can be exploited to sieve thermodynamics and kinetics crucial for the elucidation of mechanisms responsible for the modulation of biological processes such as protein-ligand binding and protein-protein association. Continuous modernization of simulation tools enables accurate prediction and characterization of the aforementioned mechanisms and these qualities are highly beneficial for the expedition of drug development when effectively applied to structure-based drug design (SBDD). In this review, current all-atom MD simulation methods, with focus on enhanced sampling techniques, utilized to examine protein structure, dynamics, and functions are discussed. This review will pivot around computer calculations of protein-ligand and protein-protein systems with applications to SBDD. In addition, we will also be highlighting limitations faced by current simulation tools as well as the improvements that have been made to ameliorate their efficiency.Discharge prescriptions for heart failure (HF) patients may not adhere to the clinical practice guidelines. This study aimed to assess the impact of the clinical pharmacist as a member of a multidisciplinary team on the quality of prescribing to HF patients at discharge from a Critical Care Unit (CCU) in Egypt. This was a retrospective cohort study of HF patients discharged from the CCU between January 2013 and December 2017. Guideline Adherence Index (GAI-3) was used to assess guideline-directed prescribing at discharge. Multidisciplinary care was introduced to the CCU on 1 January 2016. The study included 284 HF patients, mean (±SD) age 66.7 ± 11.5 years, 53.2% male. Heart failure with reduced ejection fraction affected 100 patients (35.2%). At discharge, loop diuretics were prescribed to 85.2% of patients; mineralocorticoid receptor antagonists to 54.9%; angiotensin-converting enzyme inhibitors/angiotensin receptor blockers to 51.4%; and β-blockers to 29.9%. Population Guideline Adherence Index (GAI-3) was 45.5%. High-GAI was prescribed to 136 patients (47.9%). Patients with High-GAI were younger; less affected by chronic kidney disease and had fewer comorbidities than those without High-GAI. Prescription of β-blocker increased (24.1% vs. 38.6%, p less then 0.001) and digoxin utilization decreased (34.7% vs. 23.7%, p less then 0.049) after the introduction of the multidisciplinary care. The inclusion of a clinical pharmacist in the multidisciplinary care team may have a role in optimizing the prescribing of HF guideline-directed therapies at discharge from this setting.Trans-oral robotic surgery (TORS) has emerged as an important surgical treatment option in the management of human papillomavirus (HPV)-positive and -negative oropharynx cancer. However, treatment selection is paramount to ensure that patients will not require multimodality adjuvant therapy. In this study, we determined predictors of adjuvant therapy in TORS-treated patients. The National Cancer Database (NCDB) was used to identify patients with newly diagnosed clinical T1-T4, N0-N3 oropharyngeal squamous cell carcinoma who underwent TORS between 2010-2016. Kaplan-Meier survival analysis was used to estimate overall survival (OS). A total of 2999 patients were studied, and the five-year OS for the entire cohort was 82.5%, and for HPV-positive and -negative cohorts it was 88.3% and 67.9%, respectively (p less then 0.001). Among all patients treated with TORS, 35.1% of patients received no additional treatment, 33.5% received adjuvant radiation alone (RT), and 31.3% received adjuvant chemoradiation. The N stage was pathologically upstaged in 629 (20.9%) patients after TORS. Patients treated at higher-volume centers were more likely to have negative surgical margins (OR 0.96, 95% CI 0.94, 0.98, p less then 0.001), but this did not influence the receipt of adjuvant therapy. The high rate of adjuvant multimodality treatment after TORS suggests a need for improved patient selection. Limitations of this study, including lack of data on loco-regional control, progression free survival, acute and late toxicities, and utilization of pretreatment PET/CT imaging, should be addressed in future studies.Although there are promising environmental and energy characteristics for the photocatalytic production of hydrogen, two main drawbacks must be overcome before the large- scale deployment of the technology becomes a reality, (i) the low efficiency reported by state of the art photocatalysts and, (ii) the short life time and difficult recovery of the photocatalyst, issues that need research and development for new high performance catalysts. In this work 2% rGO/TiO2 composite photocatalysts were supported over Nafion membranes and the performance of the photocatalytic membrane was tested for hydrogen production from a 20% vol. methanol solution. Immobilization of the composite on Nafion membranes followed three different simple methods which preserve the photocatalyst structure solvent-casting (SC), spraying (SP), and dip-coating (DP). The photocatalyst was included in the matrix membrane using the SC method, while it was located on the membrane surface in the SP and DP membranes showing less mass transfer limitations. The performance of the synthesized photocatalytic membranes for hydrogen production under UVA light irradiation was compared. Vorinostat purchase Leaching of the catalytic membranes was tested by measuring the turbidity of the solution. With respect to catalyst leaching, both the SC and SP membranes provided very good results, the leaching being lower with the SC membrane. The best results in terms of initial hydrogen production rate (HPR) were obtained with the SP and DP membrane. The SP was selected as the most suitable method for photocatalytic hydrogen production due to the high HPR and the negligible photocatalyst leaching. Moreover, the stability of this membrane was studied for longer operation times. This work helps to improve the knowledge on the application of photocatalytic membranes for hydrogen production and contributes in facilitating the large-scale application of this process.

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