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1.
Photodiagnosis Photodyn Ther ; 43: 103690, 2023 Sep.
Article in English | MEDLINE | ID: mdl-37422202

ABSTRACT

AIMS: To evaluate the clinical, radiographic, immune modulatory biomarkers and quality of life with the application of photodynamic therapy (PDT) as an adjunctive treatment to dental scaling and root planing (SRP) in patients with chronic periodontitis and Parkinson's disease. METHODOLOGY: Individuals who had a confirmed diagnosis of stage III periodontitis and stage 4 Parkinson's disease according to Hoehn and Yahr scale were involved in this study. The participants were divided into two groups: Group SRP (n = 25) received traditional dental scaling procedure including full-mouth debridement and disinfection, and Group PDT + SRP (n = 25) received both traditional cleaning procedures along with adjunctive chloro­aluminum phthalocyanine (CAPC) gel (0.005% concentration) mediated PDT. CAPC photosensitizer was activated using a diode laser (wavelength=640 nm, energy=4 J, 150 mW power, and overall power density of 300 J/cm2) for 60 s. The study measured clinical parameters such as plaque score (PI), bleeding on probing (BOP), probing depth (PD), clinical attachment loss (CAL), and radiographic alveolar bone loss (ABL). Proinflammatory cytokine levels such as interleukin (IL)-6 and tumor necrosis factor alpha (TNF-α) and oral health related quality of life were also assessed. RESULTS: The mean age of patients in Group SRP was 73.3 years, while the mean age in Group PDT + SRP was 71.6 years. The PDT + SRP group showed a significant reduction in all clinical parameters at 6 and 12 months compared to the SRP group alone (p < 0.05). IL-6 and TNF-α levels were significantly reduced in the PDT + SRP group at 6 months compared to the SRP group alone (p < 0.05). However, at 12 months, both groups showed comparable TNF-α levels. The results showed that Group PDT + SRP had significantly lower OHIP scores compared to Group SRP, with a mean difference of 4.55 (95% confidence interval [CI]: 1.98 to 7.12) (p < 0.01). CONCLUSION: Combined SRP with PDT showed significant improvement compared to SRP alone in terms of clinical parameters, cytokine levels, and oral health-related quality of life in individuals diagnosed with stage III periodontitis associated with Parkinson's disease.


Subject(s)
Chronic Periodontitis , Parkinson Disease , Photochemotherapy , Humans , Aged , Photosensitizing Agents/therapeutic use , Photochemotherapy/methods , Tumor Necrosis Factor-alpha , Parkinson Disease/drug therapy , Quality of Life , Chronic Periodontitis/drug therapy , Cytokines , Interleukin-6 , Root Planing/methods , Biomarkers , Dental Scaling
2.
J Biophotonics ; 16(10): e202300197, 2023 10.
Article in English | MEDLINE | ID: mdl-37369626

ABSTRACT

To evaluate the efficacy of photodynamic therapy (PDT) as adjunctive to oral debridement (OD) in the improvement of clinical, microbiological, and pain in patients with necrotizing ulcerative gingivitis (NUG). Patients with NUG were split into two groups: Group-OD + PDT received PDT with OD, while Group-OD underwent OD alone. Clinical inflammatory parameters including full mouth plaque scores (FMPS), full mouth bleeding scores (FMBS), and probing depth (PD) were assessed. Fusobacterium nucleatum and Prevotella intermedia were analyzed using the polymerase chain reaction technique. Pain examination was done using various pain scales. Group PDT + OD showed more reduction in FMPS, FMBS, and greater reduction in F. nucleatum and P. intermedia count compared to group OD at 12 weeks follow up (p < 0.01). Group PDT + OD showed significantly lower pain scores at 12 weeks (p < 0.05). PDT was more effective in improving clinical parameters, and reducing bacterial counts and pain in NUG patients than dental scaling alone.


Subject(s)
Gingivitis , Photochemotherapy , Humans , Photochemotherapy/methods , Debridement , Fusobacterium nucleatum , Gingivitis/drug therapy , Gingivitis/microbiology
3.
Dalton Trans ; 52(17): 5715-5723, 2023 May 02.
Article in English | MEDLINE | ID: mdl-37021982

ABSTRACT

In this paper, Mn2+-doped Rb4CdCl6 metal halide single crystals were prepared by a hydrothermal method. The Rb4CdCl6:Mn2+ metal halide exhibits yellow emission with photoluminescence quantum yields (PLQY) as high as 88%. Due to the thermally induced electron detrapping, Rb4CdCl6:Mn2+ also displays good anti-thermal quenching (ATQ) behavior with thermal quenching resistance (131% at 220 °C). The increase in the photoionization and the detrapping of the captured electrons from the shallow trap states were appropriately attributed to this exceptional phenomenon based on thermoluminescence (TL) analysis and density functional theory (DFT) calculations. The relationship between the fluorescence intensity ratio (FIR) of the material and temperature change was further explored using the temperature-dependent fluorescence spectrum. It was used as a temperature measuring probe based on absolute sensitivity (Sa) and relative sensitivity (Sb) with the change in temperature. The phosphor-converted white light emitting diodes (pc-WLEDs) were fabricated using a 460 nm blue chip with a yellow phosphor, which has a color rendering index (CRI = 83.5) and a low correlated color temperature (CCT = 3531 K). Because of this, finding new metal halides with ATQ behavior for high-power optoelectronic applications may be made possible by our findings.

4.
Small ; 19(12): e2206253, 2023 03.
Article in English | MEDLINE | ID: mdl-36642806

ABSTRACT

Sonodynamic therapy (SDT) has considerably revolutionized the healthcare sector as a viable noninvasive therapeutic procedure. It employs a combination of low-intensity ultrasound and chemical entities, known as a sonosensitizer, to produce cytotoxic reactive oxygen species (ROS) for cancer and antimicrobial therapies. With nanotechnology, several unique nanoplatforms are introduced as a sonosensitizers, including, titanium-based nanomaterials, thanks to their high biocompatibility, catalytic efficiency, and customizable physicochemical features. Additionally, developing titanium-based sonosensitizers facilitates the integration of SDT with other treatment modalities (for example, chemotherapy, chemodynamic therapy, photodynamic therapy, photothermal therapy, and immunotherapy), hence increasing overall therapeutic results. This review summarizes the most recent developments in cancer therapy and tissue engineering using titanium nanoplatforms mediated SDT. The synthesis strategies and biosafety aspects of Titanium-based nanoplatforms for SDT are also discussed. Finally, various challenges and prospects for its further development and potential clinical translation are highlighted.


Subject(s)
Antineoplastic Agents , Neoplasms , Ultrasonic Therapy , Humans , Titanium , Ultrasonic Therapy/methods , Neoplasms/drug therapy , Antineoplastic Agents/therapeutic use , Combined Modality Therapy , Reactive Oxygen Species , Cell Line, Tumor
5.
ACS Omega ; 7(36): 31834-31844, 2022 Sep 13.
Article in English | MEDLINE | ID: mdl-36120047

ABSTRACT

Agricultural crops are facing major restraints with the rapid augmentation of global warming, salt being a major factor affecting productivity. Tomato (Solanum lycopersicum) plant has immense nutritional significance; however, it can be negatively influenced by salinity stress. Nanoparticles (NPs) have excellent properties, due to which these particles are used in agriculture to enhance various growth parameters even in the presence of abiotic stresses. The objective of this study was to investigate the effects of silicon NPs (Si-NPs) through root dipping and foliar spray on tomato in the presence/absence of salt stress. Plant root and leaf were used for the measurements of morphological, physiological, and biochemical parameters treated with Si-NPs under salt stress. At 45 days after sowing, the activity of antioxidant enzymes, photosynthesis, mineral concentration, chlorophyll index, and growth attributes of tomato plants were measured. The developmental processes of tomato plants were severely slowed down by salt stress upto 35.8% (shoot dry mass), 44.3% (root dry mass), 51% (shoot length), and 62% (root length), but this reduction was mitigated by the treatment of Si-NPs. Application of Si-NPs significantly increased the growth attributes (height and dry weight), mineral content [magnesium (Mg), potassium (K), copper (Cu), iron (Fe), manganese (Mn), zinc (Zn)], photosynthesis [net photosynthetic rate (P N), stomatal conductance (gs), transpiration rate (E), internal CO2 concentration (Ci)], and activity of antioxidative enzymes including superoxide dismutase and catalase in salt stress. Foliar application of Si-NPs in tomato plants appears to be more effective over root dipping and alleviates the salt stress by increasing the plant's antioxidant enzyme activity.

6.
Photodermatol Photoimmunol Photomed ; 38(6): 591-599, 2022 Nov.
Article in English | MEDLINE | ID: mdl-35811336

ABSTRACT

PURPOSE: To evaluate the bacterial, clinical, and cytokine profile of adjunctive photodynamic therapy using chloro-aluminum phthalocyanine (CAP/aPDT) with root surface debridement (RSD) versus RSD alone in cigarette smokers (CS) and never-smokers (NS) during the period of 6 months. METHODS: Twenty-nine patients [CS - 14 and NS - 15] were recruited for the trial having stage-III periodontitis. All candidates from the study groups were subjected to a split-mouth treatment technique receiving CAP/aPDT + RSD and RSD alone. Periodontal parameters including plaque levels (PL), bleeding on probing (BP), probing depth (PD), clinical attachment loss (CAL), and marginal bone loss (MBL) were assessed. Polymerase chain reaction (qPCR) assay was used to analyze the copy numbers of Porphyromonas gingivalis (Pg) and Tannerella forsythia (Tf). Levels of tumor necrosis factor-alpha (TNF-α) interleukin (IL)-6 in the crevicular fluid were evaluated by enzyme-linked immunosorbent assay (ELISA). RESULTS: CAP/aPDT+RSD decreased BP in smokers after 6 months (p < .05). Probing depth and CAL reported statistically significant reductions within both CAP/aPDT+RSD and RSD groups and also within the NS and CS (p < .05). Pg and Tf stayed elevated in smokers at the 6-month evaluation period (p < .01). Only CAP/aPDT+RSD significantly decreased Pg and Tf at 3- and 6-month follow-up in smokers (p < .05). CAP/aPDT+RSD showed decreased IL-6 levels in the NS during the 6-month follow-up (p < .01). TNF-α levels were significantly reduced in the CS group with CAP/aPDT+RSD and RSD alone until 6 months (p < .01). CONCLUSION: CAP-mediated aPDT along with nonsurgical periodontal therapy helped to improve the bacteriological outcomes among smokers and never-smokers with stage-III CP patients.


Subject(s)
Anti-Infective Agents , Chronic Periodontitis , Photochemotherapy , Humans , Chronic Periodontitis/drug therapy , Interleukin-6 , Periodontal Index , Photochemotherapy/methods , Photosensitizing Agents/therapeutic use , Root Planing/methods , Smoking , Tumor Necrosis Factor-alpha
7.
Photodermatol Photoimmunol Photomed ; 38(6): 582-590, 2022 Nov.
Article in English | MEDLINE | ID: mdl-35678189

ABSTRACT

PURPOSE: To assess the clinical periodontal, bacterial, and immunological outcomes of chloro-aluminum phthalocyanine-mediated photodynamic therapy (PDT) as an adjunct to dental scaling (DS) versus DS alone among cigarette smokers (CS) and never-smokers (NS). METHODS: A total of 26 patients (13 CS and 13 NS) with clinical and radiographic diagnosis of stage-II chronic periodontitis were recruited. Each patient from both groups were subjected with two parallel therapies (split-mouth): PDT + DS (test side) and DS alone (control side). Periodontal parameters were investigated by evaluating plaque scores (PS), bleeding on probing (BOP), probing depth (PD), clinical attachment loss (CAL), and alveolar bone loss (ABL). Subgingival plaque was collected to detect and quantify Porphyromonas gingivalis and Tannerella forsythia using real-time quantitative polymerase chain reaction (RT-qPCR) assay. Gingival crevicular fluid was sampled for the quantification of interleukin (IL)-1ß and tumor necrosis factor-alpha (TNF-α) using enzyme linked immunosorbent assay. All assessments were performed at baseline, 3 months, and 6 months. RESULTS: Bleeding on probing was significantly reduced at 6 months after PDT + DS in CS groups (p < .05). Mean PD and CAL significantly reduced after both PDT + DS and DS subgroups and among NS and CS groups (p < .05). At 6 months follow-up, the copy number of both P. gingivalis and T. forsythia remained significantly high in CS group (p < .01). Only PDT + DS subgroup in CS significantly reduced the counts of P. gingivalis and T. forsythia at 3 months and 6 months (p < .05). Only at 6 months did PDT + DS showed statistically significantly reduced IL-1ß levels in the NS group (p < .01). TNF-α levels significantly reduced in CS group with PDT + DS and DS alone at both 3 months and 6 months follow-up (p < .01). CONCLUSION: Chloro-aluminum phthalocyanine-mediated PDT helped to improve the non-surgical periodontal therapy outcomes among stage-II chronic periodontitis patients among smokers and never-smokers.


Subject(s)
Chronic Periodontitis , Photochemotherapy , Humans , Chronic Periodontitis/drug therapy , Root Planing , Periodontal Pocket/drug therapy , Periodontal Pocket/microbiology , Smokers , Tumor Necrosis Factor-alpha
8.
Chemosphere ; 296: 133976, 2022 Jun.
Article in English | MEDLINE | ID: mdl-35176298

ABSTRACT

Microplastics in personal care and food products are given much importance globally due to the adverse impact of microplastics on living beings. In the present study, microplastics from ten different commercially sold toothpaste in India were extracted by vacuum filtration and characterized with microscopic and Fourier-transform infrared spectroscopic analyses. Results revealed that colorless fragments and fibers were the microparticle types of common occurrence which ranged from 0.2 to 0.9% weight in the toothpaste with an abundance range of 32.7-83.2%. Fifty percent of the toothpaste samples showed more than 50% microplastic particle abundance indicating that the microplastic plastic particles were added by the manufacturers. The minimum size of microplastics recorded in the present study was 3.5 µm with a maximum size exceeding 400 µm. The maximum number of microplastics in the toothpaste was 167, 508 and 193 respectively, distributed in the size range of <100 µm, 100-400 µm, and >400 µm. The present study recorded four major polymer types, viz., cellophane, polypropylene, polyvinyl chloride, and polyamide in the toothpaste samples. Surprisingly, polyethylene-a common polymer reported in toothpaste was not traced in the present samples. Regarding the Indian context, the current study is a new addition to the knowledge of the occurrence of microplastics in toothpaste. The average annual addition of microplastics into the environment through toothpaste was calculated as 1.4 billion g/year for India, posing a significant threat to the environment.


Subject(s)
Microplastics , Water Pollutants, Chemical , Environmental Monitoring , Plastics/chemistry , Polymers , Risk Assessment , Toothpastes , Water Pollutants, Chemical/analysis
9.
Pharmaceutics ; 14(2)2022 Jan 27.
Article in English | MEDLINE | ID: mdl-35214028

ABSTRACT

Colistin, a polycationic antimicrobial peptide, is one of the last-resort antibiotics for treating infections caused by carbapenem-resistant Gram-negative bacteria. The antibacterial activity of colistin occurs through electrostatic interaction between the polycationic peptide group of colistin and the negatively charged phosphate groups of lipid A membrane. This study investigated the interaction of colistin with the outer membrane and surface constituents of resistant and susceptible strains of Escherichia coli and Aeromonas veronii harboring mcr-1 resistance gene. Bacterial membrane and lipopolysaccharide used in this study were isolated from susceptible as well as colistin-resistant strains of E. coli and A. veronii. Interaction of colistin with the bacterial surface was studied by deoxycholate and lysozyme sensitivity test, N-phenyl-1-naphthylamine (NPN) uptake assay, Atomic force microscopy (AFM), Zeta potential measurements and 1H NMR. The binding affinity of colistin was found to be lower with outer membrane from resistant strains in comparison with the susceptible strains. Colistin exposure enhances the outer membrane permeability of the susceptible strains to deoxycholate and lysozyme. However, on the other hand, colistin dose of 256 µg/mL did not permeabilize the outer membrane of resistant bacteria. The NPN permeability in resistant strains was greater in comparison with susceptible strains. Atomic force microscopy images depicted smooth, featherless and deformed membranes in treated susceptible cells. Contrary to the above, resistant treated cells displayed surface roughness topography even at 256 µg/mL colistin concentration. Surface charge alterations were confirmed by Zeta potential measurements as a function of the growth phase. Mid-logarithmic phase susceptible strains showed a greater negative charge than resistant strains upon exposure to colistin. However, there was no statistical variation in the Zeta potential measurements between resistant and susceptible strains at the stationary phase. NMR analysis revealed line broadening in susceptible strains with increasing colistin: LPS aggregates mass ratio. Moreover, resistant strains did not show line broadening for the outer membrane, even at the highest mass ratio. The findings of this study suggest that the resistant strains of E. coli and A. veronii can block the electrostatic contact between the cationic peptide and anionic lipid A component that drives the first phase of colistin action, thereby preventing hydrophobically driven second-tier action of colistin on the outer lipopolysaccharide layer.

10.
Int J Dent Hyg ; 20(2): 282-290, 2022 May.
Article in English | MEDLINE | ID: mdl-33773044

ABSTRACT

OBJECTIVES: The authors hypothesize that periodontal and peri-implant inflammatory parameters are poorer in adult patients with tongue piercing compared with controls. The aim was to assess the influence of tongue piercing on periodontal and peri-implant health status in adults. METHODS: Test and control groups comprised of individuals with and without tongue piercing, respectively. A questionnaire was used to collect information about gender, age, duration of tongue piercing and implants in function, jaw location of the implant, reasoning for wearing the tongue ornament, and oral hygiene and ornament cleaning habits. Full-mouth and peri-implant plaque index (PI), gingival index (GI), clinical attachment loss (CAL), probing depth (PD) and marginal/crestal bone loss (MBL and CBL, respectively) on mesial and distal surfaces of teeth/implants were recorded. The material (plastic or metal) from which, the bar and ball-ends of the ornament were fabricated was also recorded. A p < 0.01 was considered statistically significant. RESULTS: Forty-eight and 49 individuals were included in the test and control groups, respectively. There was no difference in PI, GI, PD, CAL and MBL (mesial and distal) among individuals in the test and control groups. In the test group, peri-implant PI (p < 0.01), GI (p < 0.01), PD (p < 0.01) and mesial (p < 0.01) and distal (p < 0.01) CBL were significantly higher in the anterior mandible compared with implants in other jaw locations. In the control group, there was no difference in peri-implant PI, GI, PD and CBL around implants placed in both jaws. CONCLUSION: Wearing tongue piercings could increase the risks of periodontal and peri-implant diseases particularly in the mandibular anterior segment.


Subject(s)
Alveolar Bone Loss , Body Piercing , Dental Implants , Adult , Alveolar Bone Loss/etiology , Body Piercing/adverse effects , Case-Control Studies , Cross-Sectional Studies , Dental Implants/adverse effects , Follow-Up Studies , Humans
11.
Photodiagnosis Photodyn Ther ; 37: 102592, 2022 Mar.
Article in English | MEDLINE | ID: mdl-34673270

ABSTRACT

AIM: To assess the efficacy of photosensitizers (CP, riboflavin) and gaseous ozone in comparison to the conventional radicular dentin disinfectant (NaOCl) on push-out bond strength (PBS) of PFRC post cemented to radicular dentin. MATERIAL AND METHOD: Human single-rooted teeth were collected, steriled implanted in polyvinyl pipes up to a cement-o-enamel junction and de coronated. Cleaning and shaping of the canal were performed using the crown down technique followed by obturation of the canal space. Canal space was prepared using peso reamers and samples were divided into four groups based on types of canal disinfectant protocols. Group 1: Riboflavin+ 17%EDTA; group 2: Curcumin Photosensitizer + 17% EDTA; group 3: Gaseous Ozone disinfection (O3) +17% EDTA and group 4 control 2.5% NaOCl +17% EDTA. Within the canal space, fiber post was cemented and cured, and thermocycled. PBS was evaluated using a Universal testing machine (UTM) and failure modes using a stereomicroscope at 40x magnification. One-way analysis of variance (ANOVA) was used to determine the mean and standard deviation of push-out bond strength (PBS). The Tukey multiple comparison tests (p = 0.05) was used to compare the means of PBS. RESULTS: The highest PBS was displayed in group 2 CP+ 17% EDTA at all three root levels, coronal (8.81±0.61), middle (7.77±0.55), and apical (5.25±0.61). The lowest PBS was revealed in group 4, disinfected with 2.5% NaOCl +17% EDTA (control) at coronal (6.12±0.54), middle (5.46±0.84), and apical (3.00±1.88) levels. The most prevailed fracture mode was an adhesive failure (cement-dentin interface). CONCLUSION: Radicular dentin disinfected with PDT using CP, riboflavin, and O3 displayed similar PBS at all root segments. NaOCl is a convenient, traditional, and commonly used disinfectant, and it's effects on PBS is still controversial.


Subject(s)
Curcumin , Disinfectants , Ozone , Photochemotherapy , Dental Pulp Cavity , Dentin , Disinfectants/pharmacology , Glass , Humans , Materials Testing , Photochemotherapy/methods , Photosensitizing Agents/pharmacology , Riboflavin/pharmacology
12.
Chemistry ; 28(15): e202104081, 2022 Mar 10.
Article in English | MEDLINE | ID: mdl-34931345

ABSTRACT

Single-atom nanozymes (SAzymes) with specific response to the unique tumor microenvironment (TME) feature providing 100 % metal atoms utilization for high-efficient enzyme-catalyzed therapy and accurate template for the study of therapeutic mechanisms. In this review, we first introduce the various synthetic strategies of SAzymes, and the TME-responsive SAzymes activities. Next, the TME-responsive enhanced antitumor therapeutic approaches based on the enzymatic activities of SAzymes are summarized, and the corresponding therapy mechanisms are elaborated. Subsequently, a concise but concentrated summary, and the challenges and opportunities for the future design and engineering of SAzyme are outlined. As a new discipline, SAzymes have vast space for development in enhanced antitumor therapy. This timely review provides guidance and constructive suggestions for the future of SAzymes.


Subject(s)
Tumor Microenvironment , Catalysis
13.
Life (Basel) ; 11(11)2021 Nov 10.
Article in English | MEDLINE | ID: mdl-34833094

ABSTRACT

OBJECTIVE: The objective of this prospective observational case-control study is to evaluate the prevalence of Fusobacterium nucleatum in the tissues of oral squamous cell carcinoma (OSCC). Reconnoitering the CCL20-related mechanism of carcinogenesis in Fusobacterium nucleatum-positive OSCC is another objective. METHODOLOGY: Tissues from 50 OSCC patients and 30 healthy oral tissues were collected. The prevalence of Fusobacterium nucleatum was evaluated in both tumour and healthy tissue by polymerase chain reaction. The immunohistochemistry of OSCC tissues was conducted to evaluate the difference in the expression of CCL20 between Fusobacterium nucleatum-positive and -negative OSCC tissues. RESULTS: Fusobacterium nucleatum was significantly (p < 0.001) prevalent in OSCC tissues (74%), compared to healthy tissues (26%). No association of Fusobacterium nucleatum or CCL20 immuno-expression with any clinical or histopathological features of OSCC was observed. While the intensity of CCL20 immuno-expression did not differ (p = 0.053), the CCL20-positive cell population was significantly different (p = 0.034) between Fusobacterium nucleatum-positive and -negative OSCC. CONCLUSION: Fusobacterium nucleatum is possibly prevalent in oral cancer tissues in the Indian population. By using immunohistochemistry, this is the first study to propose that the carcinogenesis in Fusobacterium nucleatum-positive OSCC may be CCL20-related. The findings enrich the knowledge of mechanisms involved in Fusobacterium nucleatum-mediated oral carcinogenesis.

14.
Front Chem ; 9: 741037, 2021.
Article in English | MEDLINE | ID: mdl-34692640

ABSTRACT

Over the years, Alzheimer's disease (AD) treatments have been a major focus, culminating in the identification of promising therapeutic targets. A herbal therapy approach has been required by the demand of AD stage-dependent optimal settings. Present study describes the evaluation of anti-acetylcholinesterase (AChE) activity of hydroxyapatite nanoparticles derived from an Acorus calamus rhizome extract (AC-HAp NPs). The structure and morphology of as-prepared (AC-HAp NPs) was confirmed using powder X-ray diffractometer (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and high-resolution transmission electron microscopy (HR-TEM). The crystalline nature of as-prepared AC-HAp NPs was evident from XRD pattern. The SEM analysis suggested the spherical nature of the synthesized material with an average diameter between 30 and 50 nm. Further, the TEM and HR-TEM images revealed the shape and size of as-prepared (AC-HAp NPs). The interplanar distance between two lattice fringes was found to be 0.342 nm, which further supported the crystalline nature of the material synthesized. The anti-acetylcholinesterase activity of AC-HAp NPs was greater as compared to that of pure HAp NPs. The mechanistic evaluation of such an activity carried out using in silico studies suggested that the anti-acetylcholinesterase activity of phytoconstituents derived from Acorus calamus rhizome extract was mediated by BNDF, APOE4, PKC-γ, BACE1 and γ-secretase proteins. The global and local descriptors, which are the underpinnings of Conceptual Density Functional Theory (CDFT), have been predicted through the MN12SX/Def2TZVP/H2O model chemistry to help in the comprehension of the chemical reactivity properties of the five ligands considered in this study. With the further objective of analyzing their bioactivity, the CDFT studies are complemented with the estimation of some useful computed pharmacokinetics indices, their predicted biological targets, and the ADMET parameters related to the bioavailability of the five ligands are also reported.

15.
Pharmaceutics ; 13(10)2021 Sep 26.
Article in English | MEDLINE | ID: mdl-34683856

ABSTRACT

Multi-drug resistant (MDR) bacterial cells embedded in biofilm matrices can lead to the development of chronic cariogenesis. Here, we isolated and identified three Gram-positive MDR oral cocci, (1) SJM-04, (2) SJM-38, and (3) SJM-65, and characterized them morphologically, biochemically, and by 16S rRNA gene-based phylogenetic analysis as Georgenia sp., Staphylococcus saprophyticus, and Rothia mucilaginosa, respectively. These three oral isolates exhibited antibiotic-resistance against nalidixic acid, tetracycline, cefuroxime, methicillin, and ceftazidime. Furthermore, these Gram positive MDR oral cocci showed significant (p < 0.05) variations in their biofilm forming ability under different physicochemical conditions, that is, at temperatures of 28, 30, and 42 °C, pH of 6.4, 7.4, and 8.4, and NaCl concentrations from 200 to 1000 µg/mL. Exposure of oral isolates to TiO2NPs (14.7 nm) significantly (p < 0.05) reduced planktonic cell viability and biofilm formation in a concentration-dependent manner, which was confirmed by observing biofilm architecture by scanning electron microscopy (SEM) and optical microscopy. Overall, these results have important implications for the use of tetragonal anatase phase TiO2NPs (size range 5-25 nm, crystalline size 13.7 nm, and spherical shape) as an oral antibiofilm agent against Gram positive cocci infections. We suggest that TiO2NPs pave the way for further applications in oral mouthwash formulations and antibiofilm dental coatings.

16.
Int J Biol Macromol ; 190: 508-519, 2021 Nov 01.
Article in English | MEDLINE | ID: mdl-34481855

ABSTRACT

d-ribose, a reducing sugar, in diabetic hyperglycemia provokes non-enzymatic glycoxidation of hemoglobin (Hb), an abundant protein of red blood cells (RBCs). Different types of intermediates adduct formation occur during glycoxidation, such as advanced glycation end-products (AGEs) which lead to amyloid formation due to structural and conformational alterations in protein. Therefore, the study of these intermediate adducts plays a pivotal role to discern their relationship with diabetes mellitus and related disorders. Here, we investigated the interaction mechanism of d-ribose with Hb, and Hb prebound phytochemical thymoquinone (TQ). Our investigation reveals that the interaction of TQ with histidine residues of Hb interferes with the interaction of d-ribose with glycine residues at the glycation-site. Based on that, we had performed a time-based (21-days) in-vitro glycoxidation study at 37 °C to investigate the structural perturbation mechanism of Hb at different time-intervals in absence/presence of TQ. We found that prolonged glycoxidation induces amyloid formation in absence of TQ but in its presence, the process was prohibited. In summary, this study examined and characterized biophysically different intermediate-states of protein carrying glycoxidation-modification. Our findings suggested that TQ potentially affects interaction of d-ribose with Hb that prevents glycoxidation and protofibril formation, which establishes TQ as a potential therapeutic agent.


Subject(s)
Benzoquinones/pharmacology , Biophysical Phenomena , Hemoglobins/metabolism , Phytochemicals/pharmacology , Benzothiazoles/metabolism , Calorimetry , Dynamic Light Scattering , Glycation End Products, Advanced/chemistry , Glycation End Products, Advanced/metabolism , Glycosylation/drug effects , Hemoglobins/chemistry , Hemoglobins/ultrastructure , Hydrodynamics , Hydrophobic and Hydrophilic Interactions , Molecular Docking Simulation , Nephelometry and Turbidimetry , Protein Aggregates , Protein Binding , Protein Structure, Secondary , Ribose/chemistry , Spectrometry, Fluorescence , Thermodynamics
17.
Photodiagnosis Photodyn Ther ; 36: 102526, 2021 Dec.
Article in English | MEDLINE | ID: mdl-34509684

ABSTRACT

AIM: To assess the push-out bond strength (PBS) of glass fiber post (GFP) conditioned using different surface treatment regimens bonded to radicular dentin MATERIAL AND METHODS: Sixty central incisors and canine were collected and disinfected. Decoronation following working length was determined using K-file. Rotary file system was used for cleaning and shaping. Canals of all samples were dried with paper points and obturated with gutta percha. Canal space was prepared with peso reamers. Now samples were randomly allocated into six groups based on pretreatment of GFP. Post in group 1 treated with 9% HFA+ Silane, post in group 2 surface treated with silane only, Post in group 3 surface treated with airborne particle (50 µm), group 4 post conditioned with photodynamic therapy (PDT), group 5 post pretreatment was performed with MBP and in group 6 GFP was not treated. Conditioned and non-conditioned posts were positioned in canal space and cemented. Tooth were sectioned coronally, middle and apically. Sections were positioned in universal testing machine (UTM) and debonded surfaces were evaluated for failure modes. The means and standard deviations of PBS were examined using one-way analysis of variance (ANOVA). RESULTS: Coronal third of group 3 in which posts were sandblasted using airborne Al2O3 particle presented the highest PBS (11.21±0.64 MPa). Whereas, an apical section of group 4 in which posts were treated with PDT exhibited the lowest bond integrity. CONCLUSION: Sandblasting using airborne particles (50 µm) and hydrogen peroxide (H3PO4) conditioned with GFP exhibited significantly higher bond strength as compared to the control. However, PDT decreases the PBS of fiber post with the root dentin.


Subject(s)
Photochemotherapy , Dentin , Glass , Materials Testing , Photochemotherapy/methods , Photosensitizing Agents
18.
Materials (Basel) ; 14(11)2021 Jun 05.
Article in English | MEDLINE | ID: mdl-34198824

ABSTRACT

The objective of the present study was to evaluate the one-year clinical performance of lithium disilicate (LD) and zirconium dioxide (ZrO2) class II inlay restorations. Thirty healthy individuals who met the inclusion criteria were enrolled for the study. The patients were randomly divided into two study groups (n = 15): LD (IPS e.max press) and ZrO2 (Dentcare Zirconia). In the ZrO2 group, the internal surfaces of the inlays were sandblasted and silanized with Monobond N (Ivoclar, Leichsteistein, Germany). In the LD group, the internal surfaces of the inlays were etched with 5% hydrofluoric acid. The ceramic inlays were cemented with self-cure resin cement (Multilink N). Clinical examinations were performed using modified United State Public Health Codes and Criteria (USPHS) after 2 weeks, 4 weeks, 6 months and 1 year. The one-year survival rate was evaluated. In total, one failure was observed in the ZrO2 group. The survival probability after 1 year for the ZrO2 inlays was 93%, and for the LD inlays was 100%, which was statistically insignificant. The differences between both groups for most USPHS criteria (except for colour match) were statistically insignificant. Within the imitations of the present study, the lithium disilicate- and zirconia dioxide-based inlays exhibited comparable clinical performances. However, the colour and translucency match was superior for the lithium disilicate restorations.

19.
Molecules ; 26(9)2021 May 06.
Article in English | MEDLINE | ID: mdl-34066433

ABSTRACT

Candida albicans, an opportunistic fungal pathogen, frequently colonizes immune-compromised patients and causes mild to severe systemic reactions. Only few antifungal drugs are currently in use for therapeutic treatment. However, evolution of a drug-resistant C. albicans fungal pathogen is of major concern in the treatment of patients, hence the clinical need for novel drug design and development. In this study, in vitro screening of novel putative pyrrolo[1,2-a]quinoline derivatives as the lead drug targets and in silico prediction of the binding potential of these lead molecules against C. albicans pathogenic proteins, such as secreted aspartic protease 3 (SAP3; 2H6T), surface protein ß-glucanase (3N9K) and sterol 14-alpha demethylase (5TZ1), were carried out by molecular docking analyses. Further, biological activity-based QSAR and theoretical pharmacokinetic analysis were analyzed. Here, in vitro screening of novel analogue derivatives as drug targets against C. albicans showed inhibitory potential in the concentration of 0.4 µg for BQ-06, 07 and 08, 0.8 µg for BQ-01, 03, and 05, 1.6 µg for BQ-04 and 12.5 µg for BQ-02 in comparison to the standard antifungal drug fluconazole in the concentration of 30 µg. Further, in silico analysis of BQ-01, 03, 05 and 07 analogues docked on chimeric 2H6T, 3N9K and 5TZ1 revealed that these analogues show potential binding affinity, which is different from the therapeutic antifungal drug fluconazole. In addition, these molecules possess good drug-like properties based on the determination of conceptual Density Functional Theory (DFT)-based descriptors, QSAR and pharmacokinetics. Thus, the study offers significant insight into employing pyrrolo[1,2-a]quinoline analogues as novel antifungal agents against C. albicans that warrants further investigation.


Subject(s)
Antifungal Agents/chemical synthesis , Carboxylic Acids/chemical synthesis , Density Functional Theory , Molecular Docking Simulation , Antifungal Agents/pharmacokinetics , Candida albicans , Carboxylic Acids/pharmacokinetics , Chemistry, Pharmaceutical/methods , Drug Design , Fluconazole/pharmacology , Hydrogen Bonding , Indolizines/chemistry , Microbial Sensitivity Tests , Molecular Structure , Protein Conformation , Quantitative Structure-Activity Relationship , Quinolines/chemical synthesis , Quinolines/pharmacokinetics , Thermodynamics
20.
Saudi J Biol Sci ; 28(6): 3469-3476, 2021 Jun.
Article in English | MEDLINE | ID: mdl-34121886

ABSTRACT

Organic pollutants present in waste water have undesirable effect on the environment. Industry activities are the key sources of organic pollutants. Prime pollutants released from various sources react instantly with the environment and become derived (secondary) pollutants, which stay for an elongated time. The present research work has been carried out using biosorbent prepared from various Zea mays wastes for elimination of oxybenzene. Different parameters viz contact time, initial concentration; adsorbent dose, temperature and pH were optimized for the biosorption of oxybenzene on to the biosorbent samples. BCS (Baby corn silk) showed higher percentage of biosorption at optimum contact time of 3 h, pH between 5 and 6 and temperature at 25 °C. Analysis of equilibrium biosorption data in terms of several isotherm models revealed that Langmuir isotherm and Freundlich isotherm indicates better agreement with the experimental data. The kinetics of oxybenzene biosorption on to the biosorbents was described with the pseudo-first-order model. Thermodynamic parameters indicated that biosorption onto biosorbent was feasible in nature, spontaneous, and endothermic for some biosorbents, but on contrary not feasible, exothermic and non spontaneous for other biosorbents. The result of this study showed that the biosorbent derived from Zea mays can be used as a prospective biosorbent for oxybenzene in wastewater and also can be an alternative for the commercially activated carbon.

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