Zonguldak Bülent Ecevit University Institutional Repository
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Anti‐Inflammatory Compounds From Roots of <i>Heracleum sphondylium</i> subsp. <i>cyclocarpum</i>
ABSTRACTHeracleum sphondylium subsp. cyclocarpum (K. Koch) P.H. Davis from Heracleum L. genus, which is one of the widest genera of the Apiaceae family and known as “Hogweed or Tavşancılotu”. This genus has a variety of traditional uses, including treating gastrointestinal, cardiovascular, gynecological, and cognitive disorders, skin problems, rheumatism, and inflammation. In particular, these plants are commonly used for inflammatory diseases. This research aimed to examine in detail the anti‐inflammatory properties of Heracleum sphondylium subsp. cyclocarpum roots. Bioactivity‐guided fractionation was used to isolate the active compounds. Carrageenan‐ and prostaglandin E2‐induced inflammation models were employed to test the activity. Dichloromethane and methanolic extracts of the plant material were tested for activity and found to be effective in inhibiting inflammation. The subfractions obtained by column chromatography were further evaluated for their activities. The active fractions were used to obtain responsible compounds by using semipreparative HPLC. Five coumarin derivatives were isolated and identified as heraclenol (1), byakangelicin (2), heraclenol‐3″‐O‐β‐glucoside (3), byakangelicin‐3″‐O‐β‐glucoside (4), and meranzin hydrate III (5). The isolated compounds were investigated for their anti‐inflammatory activities, and heraclenol‐3″‐O‐β‐glucoside was found to inhibit the carrageenan and prostaglandin E2‐induced edema significantly compared to the control group and have higher activity than the extracts.</jats:p
Malaria in Turkey: A comprehensive analysis of diagnosis, treatment, and the impact of COVID-19, ten years after malaria elimination (2012–2023)
The characteristics, diagnosis, and treatment stages of malaria in Turkey in the last ten years are not known except few case reports. We aimed to describe the details of the diagnosis and treatment practices of malaria cases in various hospitals across Turkey between 2012 and 2023 after the declaration of the elimination of malaria.We collected the patient data from 30 centers by using Qualtrics Survey Software. The patients were categorized according to the WHO Malaria Severe Disease Symptoms guidelines.We detected 299 malaria cases. Of these patients, 23.7 % experienced misdiagnosis, with 77.5 % of misdiagnosed cases receiving antibiotics. Among the patients, 9 (3 %) had no travel history. Additionally, 28 (9.4 %) patients required admission to the intensive care unit (ICU) during hospitalization. There is a significant association between misdiagnosis and subsequent ICU admissions. Additionally, the duration between malaria diagnosis and the initiation of treatment significantly affected ICU admissions. Furthermore, the number of cases with severe malaria (according to WHO criteria) and ICU admissions increased after the COVID-19 period. In multivariate analysis, initial misdiagnosis was found to be associated with ICU admission (OR: 2.8, p < 0.05), while each day's treatment delays post-diagnosis increased ICU admissions (OR: 1.26, p < 0.05).Misdiagnosis is common which delays the treatment and is correlated with higher admissions to ICUs. Post-COVID-19, there was a notable increase in both ICU admissions and cases of severe malaria, suggesting an escalation in disease severity that warrants further investigation. The resurgence of rare malaria cases with no travel history to abroad highlights the necessity of continued vigilance for new malaria cases. Efforts to promptly treat upon diagnosis and improve diagnostic accuracy in Turkey, where malaria is uncommon, are crucial. Enhancing diagnostic methods and treatment strategies remains essential, especially in significant events like COVID-19
Theoretical insights into the structural, spectroscopic, solvent effect, reactivity, NCI, and NLO analyses of 5,7-dichloro-8-hydroxyquinoline-2-carbaldehyde
In this study, the characterization of the 5,7-dichloro-8-hydroxyquinoline-2-carbaldehyde molecule was carried out by nuclear magnetic resonance (1H and 13C NMR), Fourier transform infrared (FT-IR), ultraviolet-visible (UV-vis) spectroscopy and theoretical calculations in density functional theory (DFT) and time-dependent density functional theory (TD-DFT). The integral equation formalism polarizable continuum (IEFPCM) solvation model was used for ethanol, dimethylsulfoxide (DMSO), and water solvents. The conformation of the molecule was analyzed, and the most stable structure was optimized, and the geometry and electronic structure of the optimized structure were examined. The chemical stability and charge transport inside the molecule were validated by the computed HOMO-LUMO band gap energies. Characteristics such as non-linear optic properties (NLO), charge analysis, and molecular electrostatic potential (MEP) aid in determining the electrophilic/nucleophilic nature. Compound intermolecular interactions were investigated by topological studies, including noncovalent interaction (NCI), reduced density gradient (RDG), electron localization function (ELF), and localized orbital locator (LOL). The natural bond order (NBO) analysis was used to examine the changes between the hyperconjugative interaction energy E(2) and the electron densities of the donor (i) and acceptor (j) bonds. The interaction energy, the NCI study, and the NBO analysis revealed that the ligand becomes stronger in the presence of a pyridine ring.</jats:p
Diş Segmentasyonunda Segformer Yönteminin Model Parametreleri Üzerindeki Etkisinin Araştırılması
Son yıllarda bilgisayar destekli tedavilerde yapay zekâ temelli uygulamalar diş hekimleri için hastalık teşhisinde kullanımı giderek artmaktadır. Diş hastalığın belirlenmesi sürecinde doğru bir şekilde bölütleme işlemi oldukça önemlidir. Diş bölütlenmesinin manuel olarak yapılması diş hekimleri tarafından yapılan teşhis için geçen süreyi ve işlem yükünü önemli ölçüde arttırmaktadır. Bu aşamada, makine öğrenmesi ve yapay zekâ yöntemleriyle otomatik olarak diş bölgesinin bölütlenmesi araştırmacıların ilgi duyduğu güncel bir konu olmaktadır. Çalışmada 12 diş stajyeri tarafından 15318 poligonlu 598 hastadan alınan X-Ray diş görüntüleri kullanılmaktadır. Kullanılan veri seti eğitim, doğrulama ve test olarak %70, %15, %15 olarak bölünmüştür. Bu veri seti otomatik olarak diş bölütlemeyi amaçlayan derin öğrenme ağının eğitim sürecinde kullanılmaktadır. SegFormer eğitim bloğu hiper parametrelerinin değişimine bağlı oluşturulan mimarilerinin performansları incelenmektedir. Burada MiT BO-B5 mimarilerine göre oluşturulan modellerin Dice benzerlik katsayılarına göre test verisi için performansları sırasıyla %92,61, %92,82, %93,25, %93,13, %93,17 ve %93,09 olarak elde edilmektedir. Elde edilen test sonuçlarına göre geliştirilen yapay zekâ tabanlı SegFormer ağı diş bölütlemeyi yüksek doğrulukla gerçekleştirmektedir. Geliştirilen derin öğrenme ağı özellikle diş hastalıklarının teşhisinde girdi olarak verimli bir şekilde kullanılabilecektir. Yüksek Dice benzerlik katsayıları, çalışmada sunulan SegFormer ağının diş bölgesini doğru bir şekilde tespit edebildiğini ifade etmektedir.</jats:p
The chemical ordering and local atomic pressures in icosahedral Au<sub>N</sub>Al<sub>(N-42)</sub>Ni<sub>13</sub> nanoalloys
Abstract The lowest energy chemical ordering configurations of 55 atom trimetallic Au N Al(N−42)Ni13 nanoalloys with Mackay icosahedron geometry were obtained through local relaxations performed using the Monte Carlo Basin-Hopping algorithm with the Gupta potential. This study explores how the chemical arrangement within an icosahedral structure influences the stability and mechanical properties of nanoalloys. In lowest energy structures, Ni atoms consistently occupy the icosahedral core, while Au and Al atoms stay on the surface, enhancing structural stability. Variations in mixing energy were evaluated to compare the relative stability of different compositions, with Au17Al25Ni13 identified as having the lowest mixing energy at the Gupta level. Furthermore, the icosahedral core, composed entirely of Ni atoms, experiences strong compressive stresses, while surface atoms are subjected to different pressures depending on the atom type and occupation site. Specifically, Au atoms located on the surface experience both tensile and compressive stresses, whereas Al atoms undergo lowest tensile stresses.</jats:p
Phylogeography of an Anatolian endemic and Alpine specialist woolly dormouse Dryomys laniger with a description of a new species
The genus Dryomys, represented by four species, spreads a variety of habitats, including forests and mountains. The Wooly Dormouse (Dryomys laniger) is a rock-dwelling alpine species endemic to South and Central Anatolian mountains. No targeted study has been conducted to explore the full distribution area of this species nor to reveal the phylogenetic structure within the species. We used CYTB and IRBP as a molecular marker to see intraspecific diversity of the species. Besides this, morphological characters are used to reveal differences between the populations. Phylogenetic trees showed that Dryomys laniger has two different mtDNA clades, each with a distinct distribution range. The representatives of the most distinct clade also have a number of shared and distinct morphological features, and we hereby describe it as a new endemic species Dryomys anatolicus sp. nov. The other clade comprises two different clades. Despite considerable molecular differences between the two clades, we could not find any difference in morphology. Two endemic species have a complex history in Anatolia starting in the late Oligocene epoch. In that era, the ancestors of Dryomys laniger and Dryomys anatolicus separated from Dryomys nitedula and started to adapt to high altitudes. Then complete divergence between the two species occurred at the beginning of the Pliocene. In this study, we suggest that geologic events and climate have a big role in speciation events between Dryomys laniger and Dryomys anatolicus.</jats:p
Comparison of Skeletal, Dental, and Soft Tissue Changes Before and After Orthodontic Treatment in Patients with Congenitally Missing Bilateral Maxillary Lateral Incisors
(1) Background and Objectives: Congenitally missing bilateral maxillary lateral incisors (CMBMLIs) present significant aesthetic, functional, and psychosocial challenges that require an orthodontic approach based on multidisciplinary consensus. The aim of this study was to evaluate the skeletal, dental, and soft tissue changes in patients with CMBMLIs treated with space opening and closure methods and to compare these changes with those in untreated individuals. (2) Materials and Methods: A total of 53 patients (mean age 16 ± 3.5 years) were included, and three groups were formed: the study groups, consisting of the space opening group (n = 18) and the space closure group (n = 17), and the control group (n = 18), which had ideal occlusion. A total of 14 angular and 13 linear measurements were performed on lateral cephalograms before (T0) and after (T1) treatment. Statistical significance was set at p < 0.05. (3) Results: Compared to the control group, significant post-treatment changes were more evident in dental measurements and less evident in skeletal and soft tissue measurements. A statistically significant increase in the U1/SN angle was observed in the space opening group compared to the space closure group. The U1/NA angle increased significantly in both study groups, with a greater increase in the space opening group. However, although the change in U1/NA angle was not significantly different between groups, the increase was greater in the space opening group. No significant differences were found between the control and study groups in the nasolabial angle, upper lip length and thickness, and the distance from the upper and lower lips to the E-line. (4) Conclusions: While space opening and closure methods had minimal effects on most skeletal and soft tissue parameters, the space opening method significantly altered the maxillary incisor position. Considering the waiting period for prosthetic restoration after space opening and potential alveolar bone limitations, space closure is recommended for CMBMLIs when feasible because it ensures a more predictable planned maxillary incisor position.</jats:p
Pandemi Döneminde Hemşire Ebeveynin Çocuğu Olmak: Nitel Bir Çalışma
Amaç: Bu çalışma hemşire ebeveynlerin çocuklarının COVID-19 pandemi algısı ve pandeminin çocuklar üzerindeki etkisini belirlemek amacıyla yapılmıştır. Yöntem: Nitel desende ve tanımlayıcı olarak yapılan bu çalışma, 1 Ocak–1 Mart 2021 tarihleri arasında pandemi sürecinde çalışan, 3-7 yaş grubunda çocuğu olan hemşireler ve onların çocukları ile gerçekleştirilmiştir. Çalışmada ebeveynlere kartopu örnekleme yöntemi ile ulaşılmış ve veri doygunluğuna ulaşıldığında (23 ebeveyn ve 23 çocuk) veri toplama süreci sonlandırılmıştır. Çalışmanın verileri ebeveynler ve çocuklar için geliştirilmiş yarı yapılandırılmış formlar aracılığı ile toplanmıştır. Verilerin içerik analizinde MAXQDA 2022 bilgisayar programı kullanılmıştır. Bulgular: Ebeveynler ve çocuklarla yapılan görüşmeler sonunda 2 tema belirlenmiştir. Birinci tema olan değişen ebeveyn çocuk ilişkisi, pandemiden önce ebeveyn çocuk ilişkisi ve pandemiden sonra ebeveyn çocuk ilişkisi olmak üzere iki alt temadan oluşmaktadır. İkinci tema olan pandeminin çocuklar üzerindeki etkileri ise çocuklar için koronavirüsün anlamı, ebeveynin gözünden çocukların yaşamında korona virüs, çocukların yetkililerden isteği ve ebeveynlerin gözünden çocukların duygu ve davranışları olmak üzere dört alt temadan oluşmaktadır. Sonuç: Bu çalışmanın sonucunda, pandemi döneminde çocukların hemşire ebeveynleri ile geçirdiği zamanın azaldığı, ilişkinin şeklinin değiştiği ve çocukların duygu ve davranışlarında olumsuz değişimler meydana geldiği belirlenmiştir. Anahtar Sözcükler: Hemşire, ebeveyn, çocuk, pandemi</jats:p
Utilizing recycled glass powder in reinforced concrete beams: comparison of shear performance
In this research, the effect of using waste glass powder (WGP) as a partial replacement for cement on the flexural behavior of reinforced-concrete-beams (R-C-Bs) was investigated. For this aim, a total of 9 specimens were produced, and investigational experimentations were conducted to evaluate the flexural performances of R-C-Bs. Subsequently, the cement was partially replaced with WGP with weight percentages of 0%, 10%, 20% and 30%. Furthermore, the influence of stirrup spacing (SS) in the longitudinal reinforcement on productivity was also examined. The results presented indicate that the efficient WGP percentage might be considered as 10% of the partial replacement of cement. Increasing the WGP percentage within the cement by more than 10% may considerably reduce the ability of the R-C-Bs, noticeably when the lengthwise reinforcement proportion is high. Additionally, the experimental shear strengths of R-C-Bs attained from the flexural tests were compared with the shear capacities estimated using Eurocode 2 and ACI 318 - 19 regulations. It was concluded that the shear capacities calculated with ACI318-19 are much lower than the values calculated with EC2. Furthermore, it may be observed that ACI318-19 calculates the shear capacities of R-C-Bs to be 15-51% higher than those of the experimental results. Furthermore, the Digital Image Correlation (DIC) was used to study the flexural cracks/micro-cracks in R-C-Bs. Comparisons indicate that DIC has similar deformations and fracture properties for the R-C-Bs as the experimental tests. Finally, it was considered that the optimum consumption quantities determined by the results of the present research would be a guide for future investigation
Design, Synthesis, Molecular Modeling and Biological Evaluation of Novel Benzothiazole-Based 1,3,4-Thiadiazole Derivatives as Potential Anticancer Agents
Objective: The present study aimed to design and synthesize a new series of benzothiazole analogues containing 1,3,4-thiadiazole, and assess their biological activities as potential anticancer agents. Methods: N-(5,6-dimethylbenzo[d]thiazol-2-yl)-2-((5-(substituted amino)-1,3,4-thiadiazol-2-yl)thio)acetamide derivatives (4a-4h) were synthesized via the reaction of thiadiazole derivatives (3a-3h) with 2-chloro-N-(5,6- dimethylbenzo[d]thiazol-2-yl)acetamide (1) in the presence of potassium carbonate. All the target compounds have been characterized by spectral analysis. The anticancer activities of compounds 4a-4h were tested against two human HT-1376 bladder and HT-29 colorectal carcinoma cells using the WST-1 assay. Flow cytometry was used for the determination of apoptosis, cell cycle, and caspase 3/7 activity. Moreover, wound-healing assay was utilized to evaluate cell migration. In silico physicochemical, pharmacokinetics, and toxicological properties of compound 4g were determined by pkCSM, SwissADME, and SwissTargetPrediction online web tools. Results: Among all synthesized derivatives, compound 4g (N-(5,6-dimethylbenzo[d]thiazol-2-yl)-2-((5-((3- methoxyphenyl)amino)-1,3,4-thiadiazol-2-yl)thio)acetamide) recorded the highest antiproliferative activity against HT-1376 cells with an IC50 as 26.51 μM at 24 h, which was less cytotoxic than cisplatin (IC50=14.85 μM). The combined treatment with compound 4g and cisplatin increased the cellular apoptosis with a higher impact compared with the cisplatin group. The higher accumulation of cells in the G2 phase, a significant increase of caspase 3/7 activity, and the inhibition of migration rate were also observed in HT-1376 following a combination of compound 4g and cisplatin treatment versus cisplatin alone, which might be involved in the apoptotic effects of compound 4g. Conclusion: The in vitro anticancer potential of compound 4g lays the foundation for future research to focus on its value as a novel and advanced cancer therapy. </jats:sec