Engineering of 2D nanomaterials to trap and kill SARS-CoV-2 : a new insight from multi-microsecond atomistic simulations

In late 2019, coronavirus disease 2019 (COVID-19) was caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Spike protein is one of the surface proteins of SARS-CoV-2 that is essential for its infectious function. Therefore, it received lots of attention for the preparation of antiviral drugs, vaccines, and diagnostic tools. In the current study, we use computational methods of chemistry and biology to study the interaction between spike protein and its receptor in the body, angiotensin-I-converting enzyme-2 (ACE2). Additionally, the possible interaction of two-dimensional (2D) nanomaterials, including graphene, bismuthene, phosphorene, p-doped graphene, and functionalized p-doped graphene, with spike protein is investigated. The functionalized p-doped graphene nanomaterials were found to interfere with spike protein better than the other tested nanomaterials. In addition, the interaction of the proposed nanomaterials with the main protease (M-pro) of SARS-CoV-2 was studied. Functionalized p-doped graphene nanomaterials showed more capacity to prevent the activity of M-pro. These 2D nanomaterials efficiently reduce the transmissibility and infectivity of SARS-CoV-2 by both the deformation of the spike protein and inhibiting the M-pro. The results suggest the potential use of 2D nanomaterials in a variety of prophylactic approaches, such as masks or surface coatings, and would deserve further studies in the coming years.Peer reviewe

3D Printing of Dental Prostheses: Current and Emerging Applications

Revolutionary fabrication technologies such as three-dimensional (3D) printing to develop dental structures are expected to replace traditional methods due to their ability to establish constructs with the required mechanical properties and detailed structures. Three-dimensional printing, as an additive manufacturing approach, has the potential to rapidly fabricate complex dental prostheses by employing a bottom-up strategy in a layer-by-layer fashion. This new technology allows dentists to extend their degree of freedom in selecting, creating, and performing the required treatments. Three-dimensional printing has been narrowly employed in the fabrication of various kinds of prostheses and implants. There is still an on-demand production procedure that offers a reasonable method with superior efficiency to engineer multifaceted dental constructs. This review article aims to cover the most recent applications of 3D printing techniques in the manufacturing of dental prosthetics. More specifically, after describing various 3D printing techniques and their advantages/disadvantages, the applications of 3D printing in dental prostheses are elaborated in various examples in the literature. Different 3D printing techniques have the capability to use different materials, including thermoplastic polymers, ceramics, and metals with distinctive suitability for dental applications, which are discussed in this article. The relevant limitations and challenges that currently limit the efficacy of 3D printing in this field are also reviewed. This review article has employed five major scientific databases, including Google Scholar, PubMed, ScienceDirect, Web of Science, and Scopus, with appropriate keywords to find the most relevant literature in the subject of dental prostheses 3D printing

Comparison of The Effect of Ketogenic Diet and Low Caloric Diet On Weight Loss in Iranian Obese and Overweight Children

Abstract Overweight and obesity has increased in prevalence over the last two decades in many developed and developing countries including Iran. The aim of this present study was to compare the weight reduction effects of ketogenic and low calorie diets on overweight and obese Iranian children. Seventy-six overweight or obese children aged 9-16 years recruited from outpatient Ghaem Hospital, Nutritional Clinic, were randomized into two groups: a low calorie diet (n=38), a ketogenic diet (n=38). Both groups were treated for three months and followed up weekly. Fasting lipid profiles, blood sugar, uric acid, high-sensitivity C-reactive protein, , and weight were measured. Body fat percentages were measured using Bioimpedance Analysis (Tanita body composition analyzer, BC-418, Japan) for all subjects’ in each visit. Both ketogenic and low caloric diets reduced obesity indices including body fat percentage and improved lipid profiles (P0.05). However, low caloric diet had more potential beneficial effect on body fat percentage and lipid profile than ketogenic diet (

pH-Sensitive Co-Adsorption/Release of Doxorubicin and Paclitaxel by Carbon Nanotube, Fullerene, and Graphene Oxide in Combination with <i>N</i>-isopropylacrylamide: A Molecular Dynamics Study

Nanotechnology based drug delivery systems for cancer therapy have been the topic of interest for many researchers and scientists. In this research, we have studied the pH sensitive co-adsorption and release of doxorubicin (DOX) and paclitaxel (PAX) by carbon nanotube (CNT), fullerene, and graphene oxide (GO) in combination with N-isopropylacrylamide (PIN). This simulation study has been performed by use of molecular dynamics. Interaction energies, hydrogen bond, and gyration radius were investigated. Results reveal that, compared with fullerene and GO, CNT is a better carrier for the co-adsorption and co-release of DOX and PAX. It can adsorb the drugs in plasma pH and release it in vicinity of cancerous tissues which have acidic pH. Investigating the number of hydrogen bonds revealed that PIN created many hydrogen bonds with water resulting in high hydrophilicity of PIN, hence making it more stable in the bloodstream while preventing from its accumulation. It is also concluded from this study that CNT and PIN would make a suitable combination for the delivery of DOX and PAX, because PIN makes abundant hydrogen bonds and CNT makes stable interactions with these drugs

Artificial Intelligence Deep Exploration of Influential Parameters on Physicochemical Properties of Curcumin-Loaded Electrospun Nanofibers

Artificial intelligence (AI) methods are explosively considered in the design and optimization of drug discovery and delivery systems. Herein, machine learning methods are used for optimizing the production of curcumin (CUR)-loaded nanofibers. The required data are mined through the literature survey and two categories, including material- and machine-based parameters, are detected and studied as effective parameters on the final outcomes. AI results show that high-density polymers have a lower CUR release rate; however, with the increase in polymer density, CUR encapsulation efficiency (EE) increases in many types of polymers. The smallest diameter, highest EE, and highest drug release percentage are obtained at a molecular weight between 100 and 150?kDa and a CUR concentration of 10?15?wt%, with the polymer density in the range of 1.2?1.5?g?mL?1. Also, the optimal distance of ≈23?cm, the flow rate of 3.5?4.5?mL?h?1, and the voltage at the range of 12.5?15?kV result in the highest release rate, highest EE, and the lowest average diameter for fibers. These findings open up new roads for future design and production of drug-loaded polymeric nanofibers with desirable properties and performances by AI methods

Effects of synbiotics on anthropometric indices of obesity in children: a randomized double-blind placebo-controlled pilot study

A pilot study was done to assess whether synbiotics supplementation could optimize anthropometric indices in Iranian obese children. Participants included 46 overweight or obese children 7 to 13 years of age. The treatment group had a restricted diet, physical activity plan, and a synbiotics capsule per day for 12 weeks. The placebo group received a similar diet, activity plan, and placebo capsules. Body fat and z scores for body mass index showed significant reductions in both groups; however, waist circumference decreased significantly only in the synbiotics group. Between-group comparisons showed no significant differences in any variable. Our findings showed that synbiotics can improve the benefits of lifestyle modifications by decreasing waist circumference in overweight or obese children

Effect of a High Dairy Diet on Serum Antibody Titers to Heat Shock Protein 27 in Overweight and Obese Children

Objective: An immune response to heat shock proteins appears to be involved in atherogenesis. To date, there has been no report on the impact of dairy or calcium consumption on serum antibody titers to heat shock protein 27 (anti-HSP27). We have investigated whether an increase in dairy food consumption is capable of affecting serum antibody titers to heat shock protein 27 (anti-HSP27) level in children. Methods: Overweight and obese children (n=99, age: 12-18 y, body mass index: 27-40 kg/m2) were randomized to receive a calorie restricted diet providing a 500 kcal/d deficit from total energy expenditure and two (n=38), three (n=26) or four (n=35) servings of dairy products/day. Serum anti-HSP27 level in addition to the serum hs-CRP and lipid profile were measured at baseline and after 12 weeks. Findings: Serum anti-HSP27 concentrations did not change significantly in any of the mentioned groups. Serum hs-CRP and lipid profile did not change significantly either, apart from a significant increase in HDL-cholesterol in the low-dairy group. Conclusion: An increased intake of dairy products does not lead to a significant change in serum anti-HSP27 level in overweight and obese children

3D Printing of Dental Prostheses: Current and Emerging Applications

Revolutionary fabrication technologies such as three-dimensional (3D) printing to develop dental structures are expected to replace traditional methods due to their ability to establish constructs with the required mechanical properties and detailed structures. Three-dimensional printing, as an additive manufacturing approach, has the potential to rapidly fabricate complex dental prostheses by employing a bottom-up strategy in a layer-by-layer fashion. This new technology allows dentists to extend their degree of freedom in selecting, creating, and performing the required treatments. Three-dimensional printing has been narrowly employed in the fabrication of various kinds of prostheses and implants. There is still an on-demand production procedure that offers a reasonable method with superior efficiency to engineer multifaceted dental constructs. This review article aims to cover the most recent applications of 3D printing techniques in the manufacturing of dental prosthetics. More specifically, after describing various 3D printing techniques and their advantages/disadvantages, the applications of 3D printing in dental prostheses are elaborated in various examples in the literature. Different 3D printing techniques have the capability to use different materials, including thermoplastic polymers, ceramics, and metals with distinctive suitability for dental applications, which are discussed in this article. The relevant limitations and challenges that currently limit the efficacy of 3D printing in this field are also reviewed. This review article has employed five major scientific databases, including Google Scholar, PubMed, ScienceDirect, Web of Science, and Scopus, with appropriate keywords to find the most relevant literature in the subject of dental prostheses 3D printing

Biomaterial-based delivery platforms for transdermal immunotherapy

Nowadays, immunotherapy is one of the most essential treatments for various diseases and a broad spectrum of disorders are assumed to be treated by altering the function of the immune system. For this reason, immunotherapy has attracted a great deal of attention and numerous studies on different approaches for immunotherapies have been investigated, using multiple biomaterials and carriers, from nanoparticles (NPs) to microneedles (MNs). In this review, the immunotherapy strategies, biomaterials, devices, and diseases supposed to be treated by immunotherapeutic strategies are reviewed. Several transdermal therapeutic methods, including semisolids, skin patches, chemical, and physical skin penetration enhancers, are discussed. MNs are the most frequent devices implemented in transdermal immunotherapy of cancers (e.g., melanoma, squamous cell carcinoma, cervical, and breast cancer), infectious (e.g., COVID-19), allergic and autoimmune disorders (e.g., Duchenne’s muscular dystrophy and Pollinosis). The biomaterials used in transdermal immunotherapy vary in shape, size, and sensitivity to external stimuli (e.g., magnetic field, photo, redox, pH, thermal, and even multi-stimuli-responsive) were reported. Correspondingly, vesicle-based NPs, including niosomes, transferosomes, ethosomes, microemulsions, transfersomes, and exosomes, are also discussed. In addition, transdermal immunotherapy using vaccines has been reviewed for Ebola, Neisseria gonorrhoeae, Hepatitis B virus, Influenza virus, respiratory syncytial virus, Hand-foot-and-mouth disease, and Tetanus