Investigating self-assembly and anchoring of surfactants and nanoparticles on liquid crystal nano-droplets by multi-scale simulations

Liquid crystals (LCs) continue to receive significant attention due to their tunable order-disorder transitions. They are the foundation of many technological advancements such as displays, sensors, and other devices. Applications in which LCs are utilized build on the ability of controlling the orientation of mesogens with respect to a direction vector. To advance applications such as sensing and displays, it is required to detect and control, respectively, changes in LCs order due to external stimuli. To control LCs’ order, it is possible to add amphiphiles to systems in which LC – solvent interfaces are present. One example of the latter approach is provided by the interface between thermotropic LCs and immiscible aqueous phases. Many researchers investigated how to tune the LC phases via external stimuli which take advantage of said interfaces, for example via the introduction of block copolymers or nanoparticles (NP) to LC-containing systems. Although the results are promising, many molecular-level mechanisms remain to be completely understood, including the anchoring strength, and effects due to confinement and temperature. The aim of this thesis is to computationally investigate how adsorption of different compounds such as surfactants and nanoparticles can be used to control LCs droplets’ orientational order. For that purpose, coarse-grained molecular simulations were used. Firstly, in part for computational reasons, cylindrical LC assemblies were investigated. Then, to secure a stronger connection with practical devices, spherical LC droplets were considered. To overcome the limitations of coarse-grained simulation approaches, and to validate the results obtained at the nanometre-scale, the continuum-level Q-tensor approach was used. The latter has been shown to reproduce many experimental observables for bulk systems, and it allowed us to quantitatively analyse the defect structures inside LC droplets. The multiscale approach developed and implemented here, which allows us to investigate the properties of molecular aggregates at the shorter length scale, to macroscopic assemblies at the larger length scale, could provide a computational platform for future LC-based applications such as advanced biosensors that detect e.g., traces of viruses, bacteria, or air contaminants

Computational Screening of MOF-Based Mixed Matrix Membranes for CO 2

Atomically detailed simulations were used to examine CO2/N2 separation potential of metal organic framework- (MOF-) based mixed matrix membranes (MMMs) in this study. Gas permeability and selectivity of 700 new MMMs composed of 70 different MOFs and 10 different polymers were calculated for CO2/N2 separation. This is the largest number of MOF-based MMMs for which computational screening is done to date. Selecting the appropriate MOFs as filler particles in polymers resulted in MMMs that have higher CO2/N2 selectivities and higher CO2 permeabilities compared to pure polymer membranes. We showed that, for polymers that have low CO2 permeabilities but high CO2 selectivities, the identity of the MOF used as filler is not important. All MOFs enhanced the CO2 permeabilities of this type of polymers without changing their selectivities. Several MOF-based MMMs were identified to exceed the upper bound established for polymers. The methods we introduced in this study will create many opportunities to select the MOF/polymer combinations with useful properties for CO2 separation applications

The role of various social support variables on Turkish children's anxiety level

This study investigated the role of various social support variables on the state and trait anxiety levels of elementary school children. The subjects were 196 4th and 5th graders. The data were collected by the Social Support Form, State Anxiety Inventory, and Trait Anxiety Inventory. Results revealed a significant effect of living together with parents on state and trait anxiety levels: Furthermore, a positive correlation between state anxiety and love and affection for the teacher was explored. No significant difference on the state and trait anxiety levels of children was another finding of the study. The effects of the nature and continuity of home and school environments on the anxiety levels of children were discussed in relation to these variables.peer-reviewe

Sodyum hipoklorit, klorheksidin ve propolis içerikli solüsyonların potasyum titanyum fosfat lazer ile birlikte kullanımlarının candida albicans üzerine etkinliklerinin incelenmesi

Aim: Antimicrobial effects of sodium hypochlorite, chlorhexidine gluconate (CHX) and different concentrations of propolis solutions (PS) were evaluated on Candida albicans in root canals. In the next step, after application of irrigation solutions antimicrobial effect of Potassium Titanium Phosphate (KTP) laser against C. albicans was tested. Material and Methods: Freshly extracted forty-two single rooted human teeth were divided into 6 equal groups; And selected irrigants and application were for Group 1 NaOCl, Group 2 CHX, Group 3 5%PS, Group 4 10%PS, Group 5 20%PS, Group 6 Saline solution (control group). Roots with predetermined lengths were placed in glass bottles. Then, the roots were shaped using ProTaper files by crown down technique. Then the teeth sterilized by ethylene dioxide and contaminated with C. albicans. After then, 2 ml of irrigation solution was used for each teeth. 24h growth were determined by evaluation of turbidity in test tubes. As a final step, KTP laser was applied to root canals and microbial growth were determined. The results were evaluated using Kruskal Wallis, Mann Whitney-U, Chi square and Friedman tests. Results: All tested irrigation solutions (except for control group) were found statistically effective against C. albicans with regard to antimicrobial efficacy (p<0.05). After having done irrigation in the root canals, application of KTP laser with propolis %20, propolis %10 and SF was found statistically effective with regard to antimicrobial efficacy (p<0.05). Conclusion: In root canals, propolis had antimicrobial effect, however results were unsatisfactory. Furthermore, addition of KTP laser energy gave stronger antimicrobial effect. ÖZET Amaç: Kök kanalına uygulanan, sodyum hipoklorit (NaOCl), klorheksidin glukonat (KHG) ve farklı konsantrasyonlarda hazırlanmış propolis solüsyonlarının (PS) Candida albicans üzerine antimikrobiyal etkinliklerinin karşılaştırılmasıdır. Ayrıca Potasyum Titanyum Fosfat lazerin (KTP) irrigasyon solüsyonlarından sonra uygulanmasının C. albicans üzerine antimikrobiyal etkinliğini değerlendirmektir. Gereç ve Yöntem: 42 adet yeni çekilmiş tek köklü insan dişi, her biri 7 dişten oluşan alt gruplara ayrıldı. Grup 1 NaOCl, Grup 2 KHG, Grup 3 %5’lik PS, Grup 4 %10’luk PS Grup 5 %20’lik PS, Grup 6 Serum fizyolojik (kontrol grubu). Çalışma boyutları hesaplanan dişler lastik kapaklı cam şişelere yerleştirildi. ProTaper kök kanal aletleri ile crowndown tekniği kullanılarak prepare edildi. Cam şişelerdeki steril dişler aminar air flow’da C. albicans’la kontamine edildi. Her diş için 2 ml irrigasyon solusyonu kullanıldı. 24 saat sonra bulanıklıklarına bakılarak sonuçlar değerlendirildi. Son aşama olarak kök kanallarına KTP lazer uygulandı ve mikrobiyal üreme olup olmadığı belirlendi. Veriler değerlendirilirken Kruskal Wallis testi, Mann Whitney-U testi, Chi square, Friedman testi ve Wilcoxon testi uygulanmıştır. Bulgular: Tüm test edilen irrigasyon solüsyonlarının (kontrol grubu hariç) C. albicans’a karşı antimikotik etkinlik yönünden istatistiksel olarak önemli bulundu (p<0,05). Propolis %20, Propolis %10 ve SF (kontrol gurubu) ile kök kanallarında irrigasyon yapıldıktan sonra KTP lazer uygulaması antimikotik etkinlik yönünden istatistiksel olarak önemli bulundu (p<0,05). Sonuç: Kök kanallarında, propolisin, antimikrobiyal etkisi olmasına rağmen istenilen yeterlilikte bulunamadı. Ayrıca irrigasyon solüsyonlarından sonra, KTP lazer uygulanmasının daha etkili antimikrobiyal etki gösterebileceği belirlendi. Anahtar kelimeler: Propolis, irrigasyon, lazer, mikroorganizm

CYTOTOXIC AND ANTIBACTERIİAL ACTIİVITY OF THE MIXTURE OF OLIVE OIL AND LIME CREAM IN VITRO CONDITIONS

The mixture of olive oil and lime cream has been traditionally used to treat external burns in the region of Hatay/Antakya and middle Anatolia. Olive oil and lime cream have been employed by many physicians to treat in many ailments in the past. A limited number of studies have shown the antibacterial effect of olive oil and that it does not have any toxic effect on the skin. But we did not find any reported studies on the mixture of olive oil and lime cream. The aim of this paper is to investigate the cytotoxic and antibacterial activity of olive oil and lime cream individually or/and in combination in vitro conditions, by using disk-diffusion method and in cell culture. The main purpose in using this mixture is usually to clear burns without a trace. Agar overlay, MTT (Cytotoxicity assay) and antibacterial susceptibility tests were used to investigate the cytotoxic and antibacterial activity of olive oil and lime cream. We found that lime cream has an antibacterial activity but also cytotoxic on the fibroblasts. On the other hand olive oil has limited or no antibacterial effect and it has little or no cytotoxic on the fibroblasts. When we combined lime cream and olive oil, olive oil reduced its cytotoxic impact. These results suggest that mixture of olive oil and lime cream is not cytotoxic and has antimicrobial activity.The mixture of olive oil and lime cream has been traditionally used to treat external burns in the region of Hatay/Antakya and middle Anatolia. Olive oil and lime cream have been employed by many physicians to treat in many ailments in the past. A limited number of studies have shown the antibacterial effect of olive oil and that it does not have any toxic effect on the skin. But we did not find any reported studies on the mixture of olive oil and lime cream. The aim of this paper is to investigate the cytotoxic and antibacterial activity of olive oil and lime cream individually or/and in combination in vitro conditions, by using disk-diffusion method and in cell culture. The main purpose in using this mixture is usually to clear burns without a trace. Agar overlay, MTT (Cytotoxicity assay) and antibacterial susceptibility tests were used to investigate the cytotoxic and antibacterial activity of olive oil and lime cream. We found that lime cream has an antibacterial activity but also cytotoxic on the fibroblasts. On the other hand olive oil has limited or no antibacterial effect and it has little or no cytotoxic on the fibroblasts. When we combined lime cream and olive oil, olive oil reduced its cytotoxic impact. These results suggest that mixture of olive oil and lime cream is not cytotoxic and has antimicrobial activity

Glycoproteome remodeling and organelle-specific N-glycosylation accompany neutrophil granulopoiesis

Neutrophils store microbicidal glycoproteins in cytosolic granules to fight intruding pathogens, but their granule distribution and formation mechanism(s) during granulopoiesis remain unmapped. Herein, we comprehensively profile the neutrophil N-glycoproteome with spatiotemporal resolution by analyzing four key types of intracellular organelles isolated from blood-derived neutrophils and during their maturation from bone marrow–derived progenitors using a glycomics-guided glycoproteomics approach. Interestingly, the organelles of resting neutrophils exhibited distinctive glycophenotypes including, most strikingly, highly truncated N-glycans low in α2,6-sialylation and Lewis fucosylation decorating a diverse set of microbicidal proteins (e.g., myeloperoxidase, azurocidin, neutrophil elastase) in the azurophilic granules. Excitingly, proteomics and transcriptomics data from discrete myeloid progenitor stages revealed that profound glycoproteome remodeling underpins the promyelocytic-to-metamyelocyte transition and that the glycophenotypic differences are driven primarily by dynamic changes in protein expression and less by changes within the glycosylation machinery. Notable exceptions were the oligosaccharyltransferase subunits responsible for initiation of N-glycoprotein biosynthesis that were strongly expressed in early myeloid progenitors correlating with relatively high levels of glycosylation of the microbicidal proteins in the azurophilic granules. Our study provides spatiotemporal insights into the complex neutrophil N-glycoproteome featuring intriguing organelle-specific N-glycosylation patterns formed by dynamic glycoproteome remodeling during the early maturation stages of the myeloid progenitors