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1.
Mult Scler Relat Disord ; 86: 105603, 2024 Jun.
Article in English | MEDLINE | ID: mdl-38583368

ABSTRACT

BACKGROUND: Multiple sclerosis (MS) negatively impacts cognition and has been associated with deficits in social cognition, including emotion recognition. There is a lack of research examining emotion recognition from multiple modalities in MS. The present study aimed to employ a clinically available measure to assess multimodal emotion recognition abilities among individuals with MS. METHOD: Thirty-one people with MS and 21 control participants completed the Advanced Clinical Solutions Social Perceptions Subtest (ACS-SP), BICAMS, and measures of premorbid functioning, mood, and fatigue. ANCOVAs examined group differences in all outcomes while controlling for education. Correlational analyses examined potential correlates of emotion recognition in both groups. RESULTS: The MS group performed significantly worse on the ACS-SP than the control group, F(1, 49) = 5.32, p = .025. Significant relationships between emotion recognition and cognitive functions were found only in the MS group, namely for information processing speed (r = 0.59, p < .001), verbal learning (r = 0.52, p = .003) and memory (r = 0.65, p < 0.001), and visuospatial learning (r = 0.62, p < 0.001) and memory (r = 0.52, p = .003). Emotion recognition did not correlate with premorbid functioning, mood, or fatigue in either group. CONCLUSIONS: This study was the first to employ the ACS-SP to assess emotion recognition in MS. The results suggest that emotion recognition is impacted in MS and is related to other cognitive processes, such as information processing speed. The results provide information for clinicians amidst calls to include social cognition measures in standard MS assessments.


Subject(s)
Emotions , Multiple Sclerosis , Recognition, Psychology , Social Perception , Humans , Female , Male , Emotions/physiology , Adult , Middle Aged , Multiple Sclerosis/complications , Multiple Sclerosis/psychology , Recognition, Psychology/physiology , Neuropsychological Tests , Cognitive Dysfunction/etiology , Cognitive Dysfunction/diagnosis , Cognitive Dysfunction/physiopathology
2.
Eur J Pharmacol ; 960: 176119, 2023 Dec 05.
Article in English | MEDLINE | ID: mdl-37852569

ABSTRACT

Polycystic ovary syndrome (PCOS) is a prevalent hormonal disorder that affects women of reproductive age. It is characterized by abnormal production of androgens, typically present in small quantities in females. This study aimed to investigate the therapeutic potential of Irosustat (STX64), STX140, and compound 1G as new drug candidates for the treatment of letrozole-induced PCOS in female Wistar rats. 36 rats were divided into six groups of equal size. PCOS was induced in all groups, except the normal control group, by administering letrozole orally (1 mg/kg/day for 35 days). The onset of abnormal estrous cycle was confirmed by examining daily vaginal smears under a microscope. Subsequently, each rat group was assigned to a different treatment regimen, including one control group, one letrozole group, one metformin group (500 mg/kg/day) as a reference drug, and the other groups received a different drug candidate orally for 30 days. After treatment, blood collection was performed for biochemical measurements and determination of oxidative stress markers. The rats were dissected to separate ovaries and uterus for morphological, histological, and western blotting studies. Treatment with the drug candidates improved the ovaries and uterus weight measurements compared to the untreated PCOS group. The three tested drug candidates demonstrated promising improvements in lipid profile, blood glucose level, testosterone, progesterone, luteinizing hormone (LH), follicle-stimulating hormone (FSH), and estradiol levels. In addition, western blotting confirmed their promising effects on Akt, mTOR, and AMPK-α pathways. This study led to the discovery of three promising drug candidates for the management of PCOS as alternatives to metformin.


Subject(s)
Metformin , Polycystic Ovary Syndrome , Humans , Female , Rats , Animals , Polycystic Ovary Syndrome/chemically induced , Polycystic Ovary Syndrome/drug therapy , Polycystic Ovary Syndrome/metabolism , Metformin/adverse effects , Letrozole/adverse effects , Rats, Wistar
3.
Int J Biol Macromol ; 253(Pt 8): 127478, 2023 Dec 31.
Article in English | MEDLINE | ID: mdl-37866567

ABSTRACT

Pepsin is a proteolytic enzyme used in the treatment of digestive disorders. In this study, we investigated the physicochemical properties of the tetradecyltrimethylammonium bromide (TTAB) and pepsin protein mixture in various sodium salt media within a temperature range of 300.55-320.55 K with 5 K intervals. The conductometric study of the TTAB+pepsin mixture revealed a reduction in the critical micelle concentration (CMC) in electrolyte media. The micellization of TTAB was delayed in the presence of pepsin. The CMC of the TTAB + pepsin mixture was found to depend on the concentrations of electrolytes and protein, as well as the temperature variations. The aggregation of the TTAB+pepsin mixture was hindered as a function of [pepsin] and increasing temperatures, while micellization was promoted in aqueous electrolyte solutions. The negative free energy changes (∆Gm0) indicated the spontaneous aggregation of the TTAB+pepsin mixture. Changes in enthalpy, entropy, molar heat capacities, transfer properties, and enthalpy-entropy compensation variables were calculated and illustrated rationally. The interaction forces between TTAB and pepsin protein in the experimental solvents were primarily hydrophobic and electrostatic (ion-dipole) in nature. An analysis of molecular docking revealed hydrophobic interactions as the main stabilizing forces in the TTAB-pepsin complex.


Subject(s)
Pepsin A , Sodium , Molecular Docking Simulation , Water/chemistry , Micelles
4.
RSC Adv ; 13(43): 30429-30442, 2023 Oct 11.
Article in English | MEDLINE | ID: mdl-37854490

ABSTRACT

The interaction between an antibiotic drug (cefixime trihydrate (CMT)) and a cationic surfactant (tetradecyltrimethylammonium bromide (TTAB)) was examined in the presence of both ionic and non-ionic hydrotropes (HTs) over the temperature range of 300.55 to 320.55 K. The values of the critical micelle concentration (CMC) of the TTAB + CMT mixture were experienced to have dwindled with an enhancement of the concentrations of resorcinol (ReSC), sodium benzoate (NaBz), sodium salicylate (NaS), while for the same system, a monotonically augmentation of CMC was observed in aq. 4-aminobenzoic acid (PABA) solution. A gradual increase in CMC, as a function of temperature, was also observed. The values of the degree of counterion binding (ß) for the TTAB + CMT mixture were experienced to be influenced by the concentrations of ReSC/NaBz/NaS/PABA and a change in temperature. The micellization process of TTAB + CMT was observed to be spontaneous (negative standard Gibbs free energy change (ΔG0m)) at all conditions studied. Also, the values of standard enthalpy change (ΔH0m) and entropy change (ΔS0m) were found negative and positive, respectively (with a few exceptions), for the test cases indicating an exothermic and enthalpy-entropy directed micellization process. The recommended interaction forces between the components in the micellar system are electrostatic and hydrophobic interactions. In this study, the values of ΔC0m were negative in aqueous NaBz, ReSC, and PABA media, and positive in case of NaS. An excellent compensation scenario between the enthalpy and entropy for the CMT + TTAB mixed system in the investigated HTs solutions is well defined in the current work.

5.
ACS Omega ; 8(31): 28355-28366, 2023 Aug 08.
Article in English | MEDLINE | ID: mdl-37576688

ABSTRACT

Regardless of the adverse effects of Bisphenol A (BPA), its use in industry and in day-to-day life is increasing at a higher rate every year. In the present study, a simple and reliable chemical approach was used to develop an efficient BPA sensor based on a Co-Ru-based heterometallic supramolecular polymer (polyCoRu). Surface morphology and elemental analysis were examined using scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDX). Furthermore, functional group analysis was accomplished by Fourier transform infrared spectroscopy (FT-IR). UV-vis spectroscopy was used to confirm the complexation in the ratio of 0.5:0.5:1 (metal 1/metal 2/ligand). Electrochemical characterization of the synthesized polyCoRu was conducted using cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) analyses. The study identified two distinct linear dynamic ranges for the detection of BPA, 0.197-2.94 and 3.5-17.72 µM. The regression equation was utilized to determine the sensitivity and limit of detection (LOD), resulting in values of 0.6 µA cm-2 µM-1 and 0.02 µM (S/N = 3), respectively. The kinetics of BPA oxidation at the polyCoRu/GCE were investigated to evaluate the heterogeneous rate constant (k), charge transfer coefficient (α), and the number of electrons transferred during the oxidation and rate-determining step. A probable electrochemical reaction mechanism has been presented for further comprehending the phenomena occurring at the electrode surface. The practical applicability of the fabricated electrode was analyzed using tap water, resulting in a high percentage of recovery ranging from 96 to 105%. Furthermore, the reproducibility and stability data demonstrated the excellent performance of polyCoRu/GCE.

6.
ACS Omega ; 8(15): 14013-14024, 2023 Apr 18.
Article in English | MEDLINE | ID: mdl-37091380

ABSTRACT

The demand for high-capacity energy storage along with high power output and faster charging has made supercapacitors a key area of energy research. The charge storage capacity of capacitors is largely dependent on the electrode materials utilized. To that end, graphene oxide (GO) and reduced GO (RGO) have been extensively employed for preparing supercapacitors. However, to date, no study has reported utilizing a GO/RGO bilayer electrode material for supercapacitor application. Herein, we report the synthesis of GO/RGO bilayer electrodes on fluorine-doped tin oxide (FTO) conducting substrates with four different combinations, namely, RGO-RGO, RGO-GO, GO-RGO, and GO-GO. Electrochemical capacitance analysis based on a symmetrical electrode configuration revealed that FTO-GO-RGO electrodes had the best areal capacitance performance. However, the highest specific areal capacitance (27.85 mF/cm2) for both symmetric/asymmetric configurations was achieved with FTO-GO-RGO as the anode and FTO-GO-GO as the cathode. The heterogeneous capacitance performance of the GO/RGO bilayer systems was analyzed based on structural characterization and computational simulation methods. Based on our analysis, we identified that inter-/intralayer molecular interaction of the GO/RGO bilayer sheets through the confinement pressure effect might have prompted their unique physicochemical properties. This work highlights the importance of probing multilayer GO/RGO electrode fabrication methods for preparation of high-capacity supercapacitors through fine-tuning their structural and molecular properties.

7.
ACS Biomater Sci Eng ; 9(5): 2170-2180, 2023 05 08.
Article in English | MEDLINE | ID: mdl-36149264

ABSTRACT

Obesity is a complex disorder associated with immense health consequences including high risk of cardiovascular diseases, diabetes, and cancer. Abnormality in the thyroid gland, genetics, less physical activity, uptake of excessive diet, and leptin resistance are critical factors in the development of obesity. To determine the treatment strategy, understanding the pathophysiology of obesity is crucial. For instances, leptin resistance mediated obesity defined by the presence of excessive leptin hormone (Lep) in the systemic circulation is very common in diet induced obesity. Therefore, our hypothesis is that quantitative measurement of Lep from blood can help to identify individuals with Lep resistant mediated obesity and thereby guide toward a proper treatment strategy. In this work, we aim to utilize an electrochemical immunosensing platform for diagnosis of obesity by measuring the Lep content in systemic circulation. A porous carbon confined FeNi bimetallic system was synthesized with three different ratios of Fe and Ni ions using high temperature pyrolysis technique. The suitability of the sensor for detecting Lep was studied using both CV and EIS techniques. The limit of detection (LOD) for GCE was recorded as 157.4 fg/mL with a wide linear concentration range of 500 fg/mL to 80 ng/mL, while for SPCE the LOD was 184.9 fg/mL with a linear range of 500 fg/mL to 50 ng/mL. Finally, the feasibility and applicability of the sensor for Lep detection was tested with serum collected from high fat diet induced obese rats. The selectivity, sensitivity, storage, and experimental stability and reproducibility tests showed potential for this biosensor platform as a point-of-care Lep detection device.


Subject(s)
Leptin , Obesity , Rats , Animals , Reproducibility of Results , Obesity/diagnosis , Obesity/therapy
8.
Front Rehabil Sci ; 3: 999266, 2022.
Article in English | MEDLINE | ID: mdl-36518350

ABSTRACT

Background: Up to 90% of people with multiple sclerosis (PwMS) subjectively report fatigue as one of their worst symptoms. Fatigability is an objectively measured component of fatigue. Cognitive fatigability (CF) is a breakdown in task performance following sustained cognitive effort. There is a paucity of interventions targeting CF in MS. The prior success of behavioural interventions at improving subjective fatigue suggests that their adaptation may yield similar results for CF. Given the relationship between CF, sleep quality, and mood, a behavioural intervention targeting these factors, such as cognitive behavioural therapy (CBT), is warranted. Given the multidimensional nature of fatigue, a multifaceted approach targeting lifestyle factors and coping (e.g., fatigue management education supplemented by CBT for insomnia and exercise) might prove efficacious. Aim: We describe a protocol for a pilot feasibility study to design and implement a multi-dimensional behavioural intervention to improve CF in PwMS. Methods: Stage 1: development of a multi-dimensional group-based videoconference-delivered behavioural intervention based on a previously successful fatigue management program for PwMS. A facilitator manual will be drafted. Course material will focus on four themes: body (sleep and physical activity), mood (impact of depression and anxiety), mind (cognitive contributions), and context (pacing and communication). Stage 2: a needs assessment survey will be completed by 100 PwMS for input on what factors are important contributors to their CF. Modifications will be made to the course material and manual. Stage 3: the facilitator-delivered intervention will include 20 PwMS. After baseline assessment, participants will attend weekly 70-min videoconference group sessions for 8 weeks, including homework assignments. Follow-up assessment will re-evaluate outcomes. Stage 4: analysis and dissemination of results. The primary outcome is improvement in CF. Additional feasibility outcomes will determine if a randomized control trial (RCT) is pursued. Stage 5: refine the intervention based on outcomes and feedback from participants. Determining which aspects participants felt were most effective will help inform RCT design. Conclusion: The long-term goal is to ensure that PwMS have access to effective interventions in real-world settings to improve quality of life and enhance their ability to participate in cognitively demanding activities that they enjoy.

9.
J Control Release ; 351: 504-559, 2022 11.
Article in English | MEDLINE | ID: mdl-36116580

ABSTRACT

Among the various dosage forms, oral medicine has extensive benefits including ease of administration and patients' compliance, over injectable, suppositories, ocular and nasal. Despite of extensive demand and emerging advantages, over 50% of therapeutic molecules are not available in oral form due to their physicochemical properties. More importantly, most of the biologics, proteins, peptide, and large molecular drugs are mostly available in injectable form. Conventional oral drug delivery system has limitation such as degradation and lack of stability within stomach due to presence of highly acidic gastric fluid, hinders their therapeutic efficacy and demand more frequent and higher dosing. Hence, formulation for controlled, sustained, and targeted drug delivery, need to be designed with feasibility to target the specific region of gastrointestinal (GI) tract such as stomach, small intestine, intestine lymphatic, and colon is challenging. Among various oral delivery approaches, mucoadhesive vehicles are promising and has potential for improving oral drug retention and controlled absorption to treat local diseases within the GI tract, as well systemic diseases. This review provides the overview about the challenges and opportunities to design mucoadhesive formulation for oral delivery of therapeutics in a way to target the specific region of the GI tract. Finally, we have concluded with future perspective and potential of mucoadhesive formulations for oral local and systemic delivery.


Subject(s)
Drug Delivery Systems , Excipients , Humans , Colon , Gastrointestinal Tract , Administration, Oral , Drug Carriers/chemistry
10.
Front Pharmacol ; 13: 950109, 2022.
Article in English | MEDLINE | ID: mdl-36160435

ABSTRACT

Cancer is commonly thought to be the product of irregular cell division. According to the World Health Organization (WHO), cancer is the major cause of death globally. Nature offers an abundant supply of bioactive compounds with high therapeutic efficacy. Anticancer effects have been studied in a variety of phytochemicals found in nature. When Food and Drug Administration (FDA)-approved anticancer drugs are combined with natural compounds, the effectiveness improves. Several agents have already progressed to clinical trials based on these promising results of natural compounds against various cancer forms. Natural compounds prevent cancer cell proliferation, development, and metastasis by inducing cell cycle arrest, activating intrinsic and extrinsic apoptosis pathways, generating reactive oxygen species (ROS), and down-regulating activated signaling pathways. These natural chemicals are known to affect numerous important cellular signaling pathways, such as NF-B, MAPK, Wnt, Notch, Akt, p53, AR, ER, and many others, to cause cell death signals and induce apoptosis in pre-cancerous or cancer cells without harming normal cells. As a result, non-toxic "natural drugs" taken from nature's bounty could be effective for the prevention of tumor progression and/or therapy of human malignancies, either alone or in combination with conventional treatments. Natural compounds have also been shown in preclinical studies to improve the sensitivity of resistant cancers to currently available chemotherapy agents. To summarize, preclinical and clinical findings against cancer indicate that natural-sourced compounds have promising anticancer efficacy. The vital purpose of these studies is to target cellular signaling pathways in cancer by natural compounds.

11.
ACS Appl Mater Interfaces ; 14(33): 37566-37576, 2022 Aug 24.
Article in English | MEDLINE | ID: mdl-35939041

ABSTRACT

Chemotherapy-induced cardiac toxicity is an undesirable yet very common effect that increases the risk of death and reduce the quality of life of individuals undergoing chemotherapy. However, no feasible methods and techniques are available to monitor and detect the degree of cardiotoxicity at an early stage. Therefore, in this project, we aim to develop a fluorescent nanoprobe to image the toxicity within the cardiac tissue induced by an anticancer drug. We have observed that vascular cell adhesion molecule 1 (VCAM1) protein alone with collagen was overly expressed within the heart, when an animal was treated with doxorubicin (DOX), because of inflammation in the epithelial cells. We hypothesize that developing a VCAM1-targeted peptide-based (VHPKQHRGGSKGC) fluorescent nanoprobe can detect and visualize the affected heart. In this regard, we prepared a poly(lactic-co-glycolic acid) (PLGA) nanoparticle linked with VCAM1 peptide and rhodamine B (PLGA-VCAM1-RhB). Selective binding and higher accumulation of the PLGA-VCAM1-RhB nanoprobes were detected in DOX-treated human cardiomyocyte cells (HCMs) compared to the untreated cells. For in vivo studies, DOX (5 mg/kg) was injected via the tail vein once in two weeks for 6 weeks (3 injection total). PLGA-VCAM1-RhB and PLGA-RhB were injected via the tail vein after 1 week of the last dose of DOX, and images were taken 4 h after administration. A higher fluorescent signal of PLGA-RhB-VCAM-1 (48.62% ± 12.79%) was observed in DOX-treated animals compared to the untreated control PLGA-RhB (10.61% ± 4.90) within the heart, indicating the specificity and targeting ability of PLGA-VCAM1-RhB to the inflamed tissues. The quantified fluorescence intensity of the homogenized cardiac tissue of PLGA-RhB-VCAM1 showed 156% higher intensity than the healthy control group. We conclude that PLGA-VCAM1-RhB has the potential to bind inflamed cardiac cells, thereby detecting DOX-induced cardiotoxicity and damaged heart at an early stage.


Subject(s)
Antineoplastic Agents , Cardiotoxicity , Animals , Antineoplastic Agents/therapeutic use , Antineoplastic Agents/toxicity , Doxorubicin/toxicity , Humans , Polylactic Acid-Polyglycolic Acid Copolymer/chemistry , Quality of Life , Vascular Cell Adhesion Molecule-1
12.
J Control Release ; 349: 783-795, 2022 09.
Article in English | MEDLINE | ID: mdl-35908622

ABSTRACT

Skin melanoma is one of the most common cancer types in the United States and worldwide, and its incidence continues to grow. Primary skin melanoma can be removed surgically when feasible and if detected at an early stage. Anti-cancer drugs can be applied topically to treat skin cancer lesions and used as an adjunct to surgery to prevent the recurrence of tumor growth. We developed a topical formulation composed of Navitoclax (NAVI), a BCL-2 inhibitor that results in apoptosis, and an ionic liquid of choline octanoate (COA) to treat early-stage melanoma. NAVI is a small hydrophobic molecule that solubilizes at 20% (w/v) when dissolved in 50% COA. Although NAVI is a highly effective chemotherapeutic, it is equally thrombocytopenic. We found that COA-mediated topical delivery of NAVI enhanced its penetration into the skin and held the drug in the deeper skin layers for an extended period. Topical delivery of NAVI produced a higher cancer-cell killing efficacy than orally administrated NAVI. In vivo experiments in a mouse model of human melanoma-induced skin cancer confirmed the formulation's effectiveness via an apoptotic mechanism without any significant skin irritation or systemic absorption of NAVI. Overall, this topical approach may provide a safe and effective option for better managing skin cancer in the clinic.


Subject(s)
Antineoplastic Agents , Ionic Liquids , Melanoma , Skin Neoplasms , Animals , Humans , Mice , Administration, Cutaneous , Caprylates/pharmacology , Caprylates/therapeutic use , Choline , Melanoma/drug therapy , Melanoma/pathology , Proto-Oncogene Proteins c-bcl-2 , Skin , Skin Neoplasms/drug therapy , Skin Neoplasms/pathology , Melanoma, Cutaneous Malignant
13.
Metabol Open ; 14: 100187, 2022 Jun.
Article in English | MEDLINE | ID: mdl-35651884

ABSTRACT

Background: Probiotics are put forward as food to ensure the maintenance of the equilibrium of the intestinal flora. Prolonged usage of probiotics in food ingredients for human as well as in animal feed has not exposed any side effects yet. Present study attempted to justify the effects of some commercially available probiotics (Good-gut, Lubenna, Probio and Protein restro) and commonly used antibiotics (Streptomycin, Gentamycin, Ampicillin, Methicillin, Azithromycin, Erythromycin, Ceftrizone, Imepenem, Ciprofloxacin and Tetracycline) on the bacteria which were previously isolated from food samples. Methods: The anti-bacterial potential of the probiotics was aimed to be checked through the agar well diffusion method and the antibiogram of the synthetic drugs was determined by disc-diffusion method (Kirby Bauer technique). The minimum inhibitory concentration (MIC) of the probiotics were examined through broth micro dilution assay. Results: Almost all the probiotic samples exhibited antibacterial activity against the tested bacteria within the range of 10 mm-30 mm except Bacillus spp. and Salmonella spp. The lowest MIC values 3 mg/ml was determined with Luvena for Pseudomonas spp. and Shigella spp. while the maximum MIC 20 mg/ml was recorded for Good gut and Probio against Salmonella spp. and E. coli. Meanwhile, majority of the tested pathogens were detected to be resistant against more than one antibiotic as MDR strains except gentamycin, streptomycin and azithromycin. During the combination method, the zone diameter increased remarkably with a clear indication of synergistic effects compared to their individual activity. Conclusion: This study substantiated that the deployment of a combination of two antibacterial medications in order to combat the multi-drug resistant bacteria would rather be efficacious than the application of either antimicrobial agent alone.

14.
Biomater Sci ; 10(11): 2929-2939, 2022 May 31.
Article in English | MEDLINE | ID: mdl-35471198

ABSTRACT

Oral delivery remains one of the most convenient routes for drug administration compared to intravenous, intramuscular, and via suppositories. However, due to the risk of degradation, and proteolysis of molecules in the acidic gastric medium, as well as the difficulty of transporting large molecules through the intestinal membrane, more than half of the therapeutic molecules are prohibited for oral administration. Moreover, most of the large molecules and biological therapeutics are not available in oral dosage form due to their instability in the stomach and inability of intestinal absorption. To achieve expected bioavailability, an orally administered therapeutic molecule must be protected within the stomach, and transportation facilitated via the small intestine. In this project, we have introduced a hybrid carrier, composed of Taurocholic Acid (TA) and ß-Glucan (TAG), that is shown to be effective for the simultaneous protection of the biologics in acidic buffer and simulated gastric juice as well as facilitate enhanced absorption and transportation via the small intestine. In this project, we have used an eGFP encoded plasmid as a model biologic to prepare particles mediated with TAG. TAG show the potential of enhancing transfection and expression of eGFP as we have observed two fold higher expression in the cell upon coincubation for 4 h. In vivo studies on orally dosed mice showed that eGFP expression in the liver was significantly higher in TAG containing particles compared to particles without TAG. The findings suggest that the TAG carrier is capable of not only preserving biologics but also transporting them more efficiently to the liver. As a result, this strategy can be employed for a variety of liver-targeted therapeutic delivery to treat a variety of liver diseases.


Subject(s)
Biological Products , Nanoparticles , beta-Glucans , Administration, Oral , Animals , Bile Acids and Salts , Liver , Mice
15.
Chem Rec ; 22(7): e202200041, 2022 Jul.
Article in English | MEDLINE | ID: mdl-35426220

ABSTRACT

As the world moves towards renewable and sustainable energy sources, the need for systems that can quickly and safely store this energy is also rising. Supercapacitors (SCs) are among the most promising alternatives to conventional lithium-ion batteries. SCs are more stable, have higher-power densities, and can be charged much faster. However, SCs have their issues, and three of the main drawbacks of current SCs are 1) lower energy densities, 2) high cost of production, and 3) safety concerns in wearable devices. In this review, we discuss recent progress made in supramolecule-based SCs (SSCs). In supramolecular systems, molecules are held stable using non-covalent-type bonds. This allows for a flexible system in which the molecular interaction sites can easily break and reform at low energy, allowing for exposure of highly active sites and self-healing. When heterometal atoms are introduced into these supramolecular systems, this allows for further activation of the metal sites through the metal-metal interaction along with the metal-ligand interactions. This review discusses different types of SSCs (carbon-based and metal-incorporated) that have been utilized in recent years depending on their synthesis process. The working principle of SSCs and the utilization of different supramolecular elements that enhance the performance of SCs have also been discussed.

16.
J Phys Chem B ; 125(50): 13730-13743, 2021 12 23.
Article in English | MEDLINE | ID: mdl-34902976

ABSTRACT

Excessive body fat and high cholesterol are one of the leading reasons for triggering cardiovascular risk factors, obesity, and type 2 diabetes. Beta-glucan (BG)-based dietary fibers are found to be effective for lowering fat digestion in the gastrointestinal tract. However, the fat capturing mechanism of BG in aqueous medium is still elusive. In this report, we studied the dietary effect of barley-extracted BG on docosahexaenoic acid (DHA, a model fat molecule) uptake and the impact of the aqueous medium on their interactions using computational modeling and experimental parameters. The possible microscale and macroscale molecular interactions between BG and DHA in an aqueous medium were analyzed through density functional theory (DFT), Monte-Carlo (MC), and molecular dynamics (MD) simulations. DFT analysis revealed that the BG polymer extends hydrogen bonding and nonbonding interactions with DHA. Bulk simulation with multiple DHA molecules on a long-chain BG showed that a viscous colloidal system is formed upon increasing DHA loading. Experimental size and zeta potential measurements also confirmed the electrostatic interaction between BG-DHA systems. Furthermore, simulated and experimental diffusion and viscosity measurements showed excellent agreement. These simulated and experimental results revealed the mechanistic pathway of how BG fibers form colloidal systems with fat molecules, which is probably responsible for BG-induced delayed fat digestion and further halting of fatty molecule absorption in the GI tract.


Subject(s)
Diabetes Mellitus, Type 2 , beta-Glucans , Adipose Tissue , Humans , Hydrogen Bonding , Water
17.
Molecules ; 25(24)2020 Dec 08.
Article in English | MEDLINE | ID: mdl-33302537

ABSTRACT

With the rise in public health awareness, research on point-of-care testing (POCT) has significantly advanced. Electrochemical biosensors (ECBs) are one of the most promising candidates for the future of POCT due to their quick and accurate response, ease of operation, and cost effectiveness. This review focuses on the use of metal nanoparticles (MNPs) for fabricating ECBs that has a potential to be used for POCT. The field has expanded remarkably from its initial enzymatic and immunosensor-based setups. This review provides a concise categorization of the ECBs to allow for a better understanding of the development process. The influence of structural aspects of MNPs in biocompatibility and effective sensor design has been explored. The advances in MNP-based ECBs for the detection of some of the most prominent cancer biomarkers (carcinoembryonic antigen (CEA), cancer antigen 125 (CA125), Herceptin-2 (HER2), etc.) and small biomolecules (glucose, dopamine, hydrogen peroxide, etc.) have been discussed in detail. Additionally, the novel coronavirus (2019-nCoV) ECBs have been briefly discussed. Beyond that, the limitations and challenges that ECBs face in clinical applications are examined and possible pathways for overcoming these limitations are discussed.


Subject(s)
Electrochemical Techniques/methods , Metal Nanoparticles/chemistry , Point-of-Care Testing , Biomarkers, Tumor/analysis , Biosensing Techniques/instrumentation , Biosensing Techniques/methods , COVID-19 Testing/methods , Carbon/chemistry , Electrochemical Techniques/instrumentation , Equipment Design , Female , Humans , Male , Nanostructures/chemistry
18.
Molecules ; 25(20)2020 Oct 18.
Article in English | MEDLINE | ID: mdl-33080946

ABSTRACT

In this report, we discussed rapid, facile one-pot green synthesis of gold and silver nanoparticles (AuNPs and AgNPs) by using tuber extract of Amorphophallus paeoniifolius, and evaluated their antibacterial activity. AuNPs and AgNPs were synthesized by mixing their respective precursors (AgNO3 and HAuCl4) with tuber extract of Amorphophallus paeoniifolius as the bio-reducing agent. Characterization of AuNPs and AgNPs were confirmed by applying UV-vis spectroscopy, field-emission scanning electron microscopy (FESEM), X-ray diffraction (XRD) analysis, Fourier transform infrared spectroscopy (FTIR), and energy dispersive X-ray spectroscopy (EDS). From UV-vis characterization, surface plasmon resonance spectra were found at 530 nm for AuNPs and 446 nm for AgNPs. XRD data confirmed that both synthesized nanoparticles were face-centered cubic in crystalline nature, and the average crystallite sizes for the assign peaks were 13.3 nm for AuNPs and 22.48 nm for AgNPs. FTIR data evaluated the characteristic peaks of different phytochemical components of tuber extract, which acted as the reducing agent, and possibly as stabilizing agents. The antibacterial activity of synthesized AuNPs and AgNPs were examined in Muller Hinton agar, against two Gram-positive and four Gram-negative bacteria through the disc diffusion method. AuNPs did not show any inhibitory effect, while AgNPs showed good inhibitory effect against both Gram-positive and Gram-negative bacteria.


Subject(s)
Amorphophallus/chemistry , Anti-Bacterial Agents/chemistry , Gold/chemistry , Metal Nanoparticles/chemistry , Anti-Bacterial Agents/chemical synthesis , Anti-Bacterial Agents/pharmacology , Gram-Negative Bacteria/drug effects , Gram-Positive Bacteria/drug effects , Green Chemistry Technology , Plant Extracts/chemistry , Plant Extracts/pharmacology , Plant Tubers/chemistry , Silver/chemistry , Surface Plasmon Resonance
19.
ACS Omega ; 5(22): 12882-12891, 2020 Jun 09.
Article in English | MEDLINE | ID: mdl-32548472

ABSTRACT

Here, we report a semiempirical quantum chemistry computational approach to understanding the electrocatalytic reaction mechanism (ERM) of a metallic supramolecular polymer (SMP) with nitrite through UV/vis spectral simulations of SMP with different metal oxidation states before and after interactions with nitrite. In one of our recent works, by analyzing the electrochemical experimental data, we showed that computational cyclic voltammetry simulation (CCVS) can be used to predict the possible ERM of heterometallo-SMP (HMSMP) during electrochemical oxidation of nitrite (Islam T.ACS Appl. Polym. Mater.2020, 2( (2), ), 273-284). However, CCVS cannot predict how the ERM happens at the molecular level. Thus, in this work, we simulated the interactions between the repeating unit (RU) of the HMSMP polyNiCo and nitrite to understand how the oxidation process took place at the molecular level. The RU for studying the ERM was confirmed through comparing the simulated UV/vis and IR spectra with the experimental spectra. Then, the simulations between the RU of the polyNiCo and various species of nitrite were done for gaining insights into the ERM. The simulations revealed that the first electron transfer (ET) occurred through coordination of NO2 - with either of the metal centers during the two-electron-transfer oxidation of nitrite, while the second ET followed a ligand-ligand charge transfer (LLCT) and metal-ligand charge transfer (MLCT) pathway between the NO2 species and the RU. This ET pathway has been proposed by analyzing the transition states (TSs), simulated UV/vis spectra, energy of the optimized systems, and highest occupied molecular orbital-lowest occupied molecular orbital (HOMO-LUMO) interactions from the simulations between the RU and nitrite species.

20.
J Food Biochem ; 43(8): e12958, 2019 08.
Article in English | MEDLINE | ID: mdl-31368558

ABSTRACT

The study reports the phenolic composition of propolis from Bangladesh and its ameliorative effects against tetracycline-induced hepatonephrotoxicity in rats. Male Wistar Albino rats (n = 18) were randomly divided into three following groups: (1) normal control, (2) tetracycline-treatment (200 mg kg-1  rat-1 ), and (3) tetracycline (200 mg kg-1  rat-1 ) + propolis (100 mg kg-1  rat-1 ) treatments. The ethanolic extract of propolis contained major phenolic acids as well as a flavonoid, rutin. Oral exposure to tetracycline caused severe hepatic and renal damage as indicated by significant alterations in liver marker enzymes in rat serum: bilirubin and protein concentrations, lipid profile, and markers of kidney function when compared with controls. The observed biochemical perturbations were accompanied by histopathological changes. Co-administration with propolis extract, however, prevented the changes in biochemical parameters, as revealed by maintenance of cell membrane integrity and regulation of lipid profile and the conservation of the histoarchitecture. PRACTICAL APPLICATIONS: Propolis is a resinous honeybee product which is becoming increasingly popular due to its potential contributions to human health. The phenolic compounds identified in propolis from Bangladesh were effective against tetracycline-induced hepatic and renal toxicity. Propolis may be a promising natural product in reducing the effects of chronic liver and kidney damage.


Subject(s)
Kidney Diseases/drug therapy , Liver Diseases/drug therapy , Propolis/chemistry , Tetracycline/adverse effects , Animals , Bangladesh , Bees , Bilirubin/blood , Humans , Kidney Diseases/blood , Kidney Diseases/etiology , Kidney Diseases/physiopathology , Lipids/blood , Liver/drug effects , Liver/injuries , Liver/metabolism , Liver Diseases/blood , Liver Diseases/etiology , Liver Function Tests , Male , Oxidative Stress/drug effects , Propolis/administration & dosage , Rats , Rats, Wistar
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