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1.
J Mol Graph Model ; 128: 108720, 2024 05.
Article En | MEDLINE | ID: mdl-38324969

This study employs density functional theory to explore the interaction between ibuprofen (IBU) and silica, emphasizing the influence of the trimethylsilyl (TMS) functional group for designing pH-responsive drug carriers. The surface (S) and drug (D) molecules' neutral (0) or deprotonated (-1) states were taken into consideration during the investigation. The likelihood of these states was determined based on the pKa values and the desired pH conditions. To calculate the pH-dependent interaction energy (EintpH), four different situations have been identified: S0D0, S0D-1, S-1D0, and S-1D-1.The electrostatic component of interaction energy aligns favorably with its theoretical value in both the Debye-Hückel and Grahame models. The investigation has gathered first-hand experimental data on the drug loading and release of pH-responsive mesoporous silica nanoparticles. Effective drug loading was observed in the acidic environment of the stomach (pH 2-5), followed by a release in the slightly basic to neutral pH of the small intestine (pH 7.4), These findings align with existing literature. The results revealed horizontal drug adherence on silica surfaces, improving binding capabilities. Comparisons were made with combinations involving carboxylated carbon nanotubes and ibuprofen, silica, and sulfasalazine, and silica and alendronate, exploring drug loading/release dynamics associated with positive/negative interaction energies. The investigation, supported by experimental data, contributes valuable insights into pH-responsive mesoporous silica nanoparticles, offering new design possibilities for drug carriers.


Ibuprofen , Nanotubes, Carbon , Ibuprofen/pharmacology , Drug Carriers , Sulfasalazine/pharmacology , Alendronate , Silicon Dioxide , Hydrogen-Ion Concentration , Porosity
2.
Sci Rep ; 7(1): 4403, 2017 06 30.
Article En | MEDLINE | ID: mdl-28667277

The wetting characteristic of a metal surface can be controlled by employing different coating materials and external stimuli, however, layer number (n) modulated surface swapping between hydrophobicity and hydrophilicity in a multilayer structure to achieve prolonged anti-corrosion ability was not taken into consideration. In this study, we proposed a layer-by-layer (LbL) spin assembled polyaniline-silica composite/tetramethylsilane functionalized silica nanoparticles (PSC/TMS-SiO2) coating with the combined effect of super-hydrophobicity and enhanced anti-corrosion ability. Interestingly, the hierarchical integration of two coating materials with inherently different surface roughness and energy in a multilayer structure allows the wetting feature to swap from hydrophobic to hydrophilic state by modulating n with decreasing hydrophilicity. The samples with odd n (TMS-SiO2 surface) are hydrophobic while the samples with even n (PSC surface) exhibits the hydrophilic character. The TMS-SiO2 content was optimized to achieve super-hydrophobic coating with significantly high water contact angle (CA) 153° ± 2° and small sliding angle (SA) 6° ± 2°. Beside its self-cleaning behavior, the electro-active PSC/TMS-SiO2 coating also exhibits remarkably enhanced corrosion resistance against aggressive media. The corrosion resistance of the coating was remained stable even after 240 h of exposure, this enhancement is attributed to super-hydrophobicity and anodic shift in corrosion potential.

3.
Sci Rep ; 6: 12883, 2016 Feb 17.
Article En | MEDLINE | ID: mdl-26883179

Improving the solubility of conductive polymers to facilitate processing usually decreases their conductivity, and they suffer from poor cycling stability due to swelling-shrinking during charging cycles. We circumvent these problems with a novel preparation method for nitrogen-doped graphene (NG) enhanced polyacrylic acid/polyaniline (NG-PAA/PANI) composites, ensuring excellent processibility for scalable production. The content of PANI is maximized under the constraint of still allowing defect-free coatings on filaments of carbon cloth (CC). The NG content is then adjusted to optimize specific capacitance. The optimal CC electrodes have 32 wt.% PANI and 1.3 wt.% NG, thus achieving a high capacitance of 521 F/g at 0.5 F/g. A symmetric supercapacitor made from 20 wt.% PANI CC electrodes has more than four times the capacitance (68 F/g at 1 A/g) of previously reported flexible capacitors based on PANI-carbon nanotube composites, and it retains the full capacitance under large bending angles. The capacitor exhibits high energy and power densities (5.8 Wh/kg at 1.1 kW/kg), a superior rate capability (still 81% of the 1 A/g capacitance at 10 A/g), and long-term electrochemical stability (83.2% retention after 2000 cycles).

4.
Int J Urol ; 13(5): 628-30, 2006 May.
Article En | MEDLINE | ID: mdl-16771741

An 11-month-old infant presented with acute urinary retention. He had presented 3 months earlier with complaints of an enlarging abdominal mass that was initially diagnosed as a mesenteric cyst on ultrasonography. Voiding cystourethrogram revealed a large bladder diverticulum. Bladder diverticulum should be a differential diagnosis in children, especially male, presenting with urinary retention, fever and an abdominal mass.


Diverticulum/pathology , Urinary Bladder Diseases/pathology , Urinary Retention/pathology , Acute Disease , Diagnostic Errors , Diverticulum/diagnostic imaging , Humans , Infant , Male , Mesenteric Cyst/diagnosis , Radiography , Tomography Scanners, X-Ray Computed , Ultrasonography , Urinary Bladder Diseases/diagnostic imaging , Urinary Retention/diagnostic imaging
5.
J Pak Med Assoc ; 56(5): 243-7, 2006 May.
Article En | MEDLINE | ID: mdl-16767957

OBJECTIVES: To study the burden of anxiety and depression as a comorbid among patients of chronic rheumatological disorders and to investigate possible determinants of depression and anxiety. METHODS: It was a cross-sectional study conducted at the rheumatology clinic of The Aga Khan University Hospital (AKUH) Karachi, Pakistan. With convenient sampling, 111 patients who fulfilled inclusion/exclusion criteria were screened for anxiety and depression with help of Aga Khan University Anxiety and Depression Scale (AKUADS). The data was entered and analyzed by Statistical Package for Social Sciences (Version 10.0). RESULTS: The population consisted mainly of middle aged (mean age 41) females (80.2%). The most common diagnosis was rheumatoid arthritis 57% followed by systemic lupus erythmatosis 17% and systemic sclerosis 9%. The permanent joint deformity was present in 33.3% patients and 36.9% patients were suffering from active disease with pain and inflammation. The frequency of anxiety and depression was 65.8%. Educational qualification, permanent joint deformity, active inflammation and time elapsed since diagnosis had significant association with anxiety and depression. Marital Status, gender, economic activity and monthly family income had no effect on the frequency of anxiety and depression. CONCLUSION: Almost two third of patients with chronic rheumatological disorders, also suffered from a concomitant mood disorder. Systematic evaluation of all patients for mood disorders and psychological distress in rheumatology clinics is highly recommended.


Anxiety/etiology , Arthritis, Rheumatoid/psychology , Depression/etiology , Lupus Erythematosus, Systemic/psychology , Scleroderma, Systemic/psychology , Adolescent , Adult , Aged , Anxiety/epidemiology , Arthritis, Rheumatoid/physiopathology , Chronic Disease , Comorbidity , Cross-Sectional Studies , Depression/epidemiology , Female , Hospitals, University , Humans , Lupus Erythematosus, Systemic/physiopathology , Male , Middle Aged , Mood Disorders/epidemiology , Mood Disorders/etiology , Pain/etiology , Pain/psychology , Pakistan/epidemiology , Prevalence , Scleroderma, Systemic/physiopathology , Surveys and Questionnaires
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