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An improved approach to the synthesis of tetrahydroindeno[1,2-d] imidazoles: DFT (FT-IR, NMR, NBO, FMO), ADMET, and drug-likeness studies
A new entry into the synthesis of tetrahydroindeno[1,2-d]imidazole compounds 4a-c is based on the reactions isothiocyanate benzene 1 and substituted aniline 2 via condensation with 1H-indene-1,2,3-trione in a one-pot three-component. A wide variety of relevant tetrahydroindeno[1,2-d]imidazole derivatives were obtained with high yields ranging from 97 to 98 % with excellent yields. The synthesized compounds were determined using FT-IR, 1H NMR, 13C NMR, and elemental analysis methods. Moreover, the DFT calculations performed on 4a-c provide additional validations to the experimentally obtained data of the compounds, as well as useful insights on topics such as reactivity trends and physicochemical properties. In this context, in the initial stage, the conformational study was performed and minimum energy structures were determined for 4a-c. The subsequent stage included a comparative analysis of the electronic properties, reactivity tendencies, possible donor–acceptor interactions, and electrostatic surface properties of the mentioned compounds in gas, CHCl3, and DMSO environments. All FT-IR and NMR computations were performed at B3LYP/6–311++G** level for confirmation purposes. The ADMET “Adsorption-Distribution-Metabolism-Excretion-Toxicity”, drug-likeness, and physicochemical characteristics of compounds were evaluated to explore possible suitability for early-stage-drug-design research. © 2025 Elsevier B.V.Tekirdağ Namık Kemal Üniversitesi, TNKUTürkiye Bilimsel ve Teknolojik Araştırma Kurumu, TÜBİTAK, (112 T503
Utilizing molecular marker-assisted selection to identify seedless grapevines from the genetic resources of Ganos Mountain grapevines
The characteristics of fruit, such as seedlessness, rely on traits that require a considerable period of time to be observed by traditional breeding methods. Breeders can utilize molecular methods to ascertain the presence of seedlessness traits within the genetic repertoire of plants. This study was conducted on genetic materials collected from Ganos Mountain in Thrace Region in Turkey. A total of 43 genotypes were assessed for seedlessness characteristics using molecular markers in the study. A total of three molecular markers were employed to screen for four bands that are indicative of seedlessness. It was found that 20 out of 43 genotypes exhibited homozygote or heterozygote patterns for those four bands. Out of the total, ten had one band, seven had a pair of bands, and three had all four bands. Nevertheless, a total of four bands were not present in 23 out of 43 genotypes. In order to conduct additional research on breeding programs for the development of novel seedless grapevine cultivars, a total of 20 genotypes with homozygous or heterozygous traits were chosen as genetic resources for the selection process. © 2025 International Society for Horticultural Science. All rights reserved.Tekirdağ Namık Kemal Üniversitesi, TNKUNatural Flora of Ganos Mountain
Interactions of black carrot concentrate powder as a natural coloring agent with gelatine and sucrose in model gummy samples
With growing consumer concerns about the sustainability and safety of synthetic food colorings, the food industry is increasingly turning to natural colorants derived from plants. Anthocyanins from black carrots are preferred as natural food colorants in the food industry. However, the product composition in which the colorants are used affects the pigments' color properties and stability behaviors. This study aims to determine the interaction between black carrot juice concentrate powder (BCCP) with gelatine and sucrose for model gummy samples and to develop models for the optimal composition of the product. Hardness (9.90-21.77 N), resilience (0.61-0.82), cohesiveness (0.95-0.98), springiness (0.27.5-0.63 mm), gumminess (9.63-21.30 N), and chewiness (3.15-13.36 Nxmm) properties of model gummy samples were determined by texture profile analysis. TPC values for gummy candy samples ranged from 6.87 to 44.3 mg GAE/kg, while inhibition values for AAC were 0.00%-13.4%. BCCP x gelatin and BCCP x sucrose interactions were determined to be significant for texture parameters such as hardness, gumminess, chewiness, and L & lowast;, a & lowast;, b & lowast;, and chroma values (P < 0.05). The optimal composition for samples was determined as 32.03 g/100 g sucrose, 21 g/100 g gelatin solution, and 0.27 g/100 g BCCP, respectively, by considering changes in hardness, springiness, hardness variation and Delta E & lowast; values at the end of accelerated shelf-life (ASL) conditions. Incorporating polyphenol-containing BCCP affects gummies' colour stability and texture.Scientific and Technological Research Council of Turkey (TUBITAK) [222O266]; TUBITAK; Qatar UniversityThis study was supported by the Scientific and Technological Research Council of Turkey (TUBITAK) under Grant Number 222O266. The authors thank TUBITAK for their support on project and Qatar University for their support for open access
A Novel X-Linked Variant c.1772delG (p.G591fs*20) in IRS4 in Two Related Patients with Central Hypothyroidism
Introduction: Central hypothyroidism (CeH) is characterized by thyroid hormone deficiency due to impairment of pituitary thyroid stimulating hormone or hypothalamic TRH biosynthesis. It is extremely rare and affects approximately 1:16,000-100,000 individuals. Diagnosis, especially of isolated CeH, may be challenging. CeH is often seen as a part of multiple pituitary hormone deficiencies, but it can also be seen as isolated CeH. To date, some variants that can cause CeH have been identified, although in a number of patients the cause has not been clarified. Recently, variants of the insulin receptor substrate 4 (IRS4) gene have been reported to be the cause of isolated CeH. Herein, we report two related patients and their family with carriers with a novel X-linked frameshift variant in the IRS4 gene. It has also been shown that thyroid function may be slightly affected in the heterozygous female carriers in our study. Case Presentation: Herein, we reported two Turkish male patients with CeH due to a hemizygous variant in IRS4. The index case was a 15-year-and-2-month-old male who presented with a low serum-free thyroxin level, which was incidentally detected. Conclusion: Isolated CeH should keep in mind in insistent low fT4 levels without an increase in thyroid stimulating hormone levels. Genetic testing can aid in identifying the underlying cause of CeH in such cases. This report demonstrates the significance of providing comprehensive laboratory and molecular features of the patients and carriers with the IRS4 variants
Valorization of Dairy By-Products, Sweet Whey, and Acid Whey, in the Production of Fermented Black Carrot Juice: A Comparative Study of the Phytochemical, Physicochemical, Microbiological, and Sensorial Aspects
The aims of this study were to improve the functional and nutritional properties of fermented black carrot juice by using sweet and acid whey in the production of fermented black carrot juice, to transform whey into a value-added product and to determine the effect of whey addition on the fermentation process. Whey was utilized as a water substitute in the formulation of the beverage prior to fermentation, and five distinct formulations were developed based on the type and proportion of whey (0% whey (control sample), 25% acid whey, 100% acid whey, 25% sweet whey, 100% sweet whey). Microbiological, sensorial, phytochemical, and physicochemical analyses were performed on samples taken during fermentation and on samples fermented and then resting. The addition of whey into the formulation resulted in an increase in acidity and turbidity of the beverage, with lower anthocyanin content observed in samples containing whey compared to the control throughout the fermentation process. The samples containing 100% whey exhibited lower a*, b*, h, and C* values and lower amounts of individual anthocyanins. The microbial load in these samples was high in the early stages of fermentation and reached a minimum towards the end of fermentation. The incorporation of whey led to an acceleration in the fermentation process, an enhancement in the microbiological characteristics of the beverage, and a substantial variation in phenolic compounds through the formation of a reversible protein complex. The resting process provided significant increases in color, anthocyanins, and gentisic and chlorogenic acids of whey-containing samples. The results showed that it is possible to produce whey-based functional fermented black carrot juice that is close to the control sample in terms of sensory and phytochemical properties and better than the control sample in terms of lactic acid bacteria count. It is recommended that both sweet and acid whey be utilized at a ratio of 25% in the production of fermented black carrot juice and to rest at 4 degrees C before consumption
Assessment of Catena Relationships in Soil Properties within a Transitional Landscape: A Case Study from Northwestern Türkiye
NKUBAP.03.YLGA.21.324This research was carried out to classify soils located between Gökyaka and Sarpdere villages in the Demirköy district of Kırklareli province (NW Türkiye). Soil profile definitions were made by determining the morphological, chemical and physical properties of 7 profiles. In the HS-1 and HS-4 profiles located around the Balaban stream, the upper part of the sampling area is sloping, and the slope continues at the bottom (slope land). In these profiles, the soil order was Inceptisol. The subgroup of HS-1 was Typic Humixerept due to its high organic matter content, and HS-4 was Typic Haploxerept. The sample points around the HS-2 and HS-5 profiles were at the head of the sloping land. The pH of the soil is generally slightly acidic, no salinity problem is observed, the lime content is usually very low, the organic matter is found to be high in the upper layers, and the textures are clay, clay loam and silty clay loam. According to Soil Taxonomy of Soil Survey Staff, soils are classified as Entisol, Inceptisol and Alfisol. Thus, topography seems to be the main pedologic factor for the formation of soils in a short distance and under the same climatic conditions, in Gökyaka and Sarpdere villages of the Yıldız Mountain in NW Türkiye.Scientific Research Projects Coordination Unit of Tekirdağ Namık Kemal Universit
Evaluation of competitiveness of honey with geographical indication
17.08.2025 tarihine kadar kullanımı yazar tarafından kısıtlanmıştır.Bu çalışmada, coğrafi işaretli balların alternatif ballar karşısındaki rekabet gücünün değerlendirilmesi amaçlanmıştır. Bu kapsamda, coğrafi işaretli bal üreticilerinin profili ve sisteme bakış açıları incelenmiş, ayrıca bu ürünlere yönelik tüketici satın alma niyeti ve satın alma davranışını etkileyen değişkenler belirlenmiştir. Çalışmada İstanbul'da sosyo-ekonomik gelir gruplarına göre örneklemesi dağıtılmış 384 tüketici ve coğrafi işaretli bal üreticisi (Muğla Çam Balı, Marmaris Çam Balı, Pervari Balı, Kars Balı ve Ardahan Çiçek Balı) 41 kişi ile anket çalışması gerçekleştirilmiştir. Tüketicilerin coğrafi işaretli balları satın alma niyetlerinin belirlenmesinde planlı davranış teorisi kullanılarak yapısal eşitlik modellemesi; satın alma davranışlarının belirlenmesinde ikili lojistik regresyon; üreticilerin sisteme bakış açılarının belirlenmesinde yüzde ve ortalama değerler ile sonuçlar ortaya konulmuştur. Rekabet gücünün belirlenmesinde ise PESTEL ve Porter'ın beş güç analizi ile değerlendirmeler yapılarak sektöre yönelik stratejik plan oluşturulmuştur. Tüketicilerin %41'inin coğrafi işaretli balları daha önce tükettiği, ancak satın alıma ulaşım konusunda yetersizliklerin olduğu tespit edilmiştir. Diğer yandan üreticilerin %68'inin coğrafi işaretli bal üretimine devam etmek istediği belirlenmiştir. Coğrafi işaret koruması altındaki balların henüz üretici açısından rekabet edilebilirliği istenen seviyelere gelmediği, korumanın sağlayacağı avantajların uygulamada yer almadığı tespit edilmiştir. Coğrafi işaretli bal üretimi ve pazarı açısından üreticilere yönelik kamu politikalarının geliştirilmesi ile kooperatif ve birliklerin üretim ve pazarlama stratejilerinde etkin rol alması önemlidir. Bu ürünlerin kalite, sağlık ve doğallık özelliklerinin ön plana çıkarılarak tüketici farkındalığının arttırılması ile coğrafi işaretli balların pazar payını genişleyeceği ve rekabet gücünü artacağı söylenebilir.This study assesses the competitive strength of geographically indicated honeys compared to alternative honeys. It examines producer profiles, their perspectives on the geographically indicated system, and factors influencing consumer purchase intentions and behaviors. A survey was conducted with 384 consumers and 41 geographically indicated honey producers, including Muğla Pine Honey, Marmaris Pine Honey, Pervari Honey, Kars Honey, and Ardahan Flower Honey. Structural equation modeling analyzed consumer purchase intentions, while binary logistic regression examined purchasing behaviors. PESTEL and Porter's Five Forces analyses were applied to develop a strategic sector plan. Findings reveal that 41% of consumers have purchased geographically indicated honey before, yet accessibility remains a concern. Meanwhile, 68% of producers intend to continue geographically indicated honey production. However, geographically indicated honey's competitive advantage has not yet reached its full potential, and the expected benefits of geographically indicated protection are not fully realized. Strengthening marketing efforts, increasing consumer awareness, and improving distribution channels are crucial for market expansion. Additionally, public policies should better support producers, while cooperatives and unions should play a more active role in production and marketing strategies. By emphasizing quality, health benefits, and authenticity, geographically indicated honey can expand its market share, ensuring long-term competitiveness and sustainability in both domestic and international markets
Classification and clustering analysis of standing dead trees and associated park asset wildfire vulnerability in Yellowstone National Park
In the Rocky Mountain and Pacific Northwest regions of the United States, forests include extensive portions of standing dead trees. These regions showcase an intriguing phenomenon where the combined biomass of standing dead trees surpasses that of fallen and decomposing woody debris. This stems from a suite of factors including pest disturbances, management decisions, and a changing climate. With increasingly dry and hot conditions, dead timber on a landscape increases the probability that a fire will occur. Identifying and characterizing the presence of standing dead trees on a landscape helps with forest management efforts including reductions in the wildfire hazard presented by the trees, and vulnerability of nearby park assets should the trees burn. Using forest-based classification, exploratory data analysis, and cluster vulnerability analysis, this study characterized the occurrence and implications of standing dead trees within Yellowstone National Park. The findings show standing dead trees across the entire study area with varying densities. These clusters were cross-referenced with vulnerability parameters of distance to roads, distance to trails, distance to water, distance to buildings, and slope. These parameters inform fire ignition, propagation, and impact. The weighted sum of these parameters was used to determine the vulnerability incurred on the park assets by the clusters and showed the highest values nearest to park entrances and points of interest. High vulnerability clusters warrant priority management to reduce wildfire impact. The framework of this study can be applied to other sites and incorporate additional vulnerability variables to assess forest fuel and impact. This can provide a reference for management to prioritize areas for resource conservation and improve fire prevention and suppression efficiency.Wyoming NASA EPSCoR Faculty Research Grant [80NSSC19M0061]; Yellowstone National Park ServicesWe would like to express our sincere gratitude to Wyoming NASA EPSCoR Faculty Research Grant (Grant#80NSSC19M0061) , Yellowstone National Park Services for their generous support and funding that made this research possible. Their commitment to advancing knowledge in fi re risk management has been instrumental in the success of this project. We also extend our appreciation to all those who contributed to this research, directly or indirectly, for their valuable insights and collaboration
Discovery and In Silico Characterization of Anatolian Water Buffalo Rumen-Derived Bacterial Thermostable Xylanases: A Sequence-Based Metagenomic Approach
This study involved shotgun sequencing of rumen metagenomes from three Anatolian water buffalos, an exploration of the relationship between microbial flora and xylanases, and in silico analyses of thermostable xylanases, focusing on their sequence, structure, and dynamic properties. For this purpose, the rumen metagenome of three Anatolian water buffalos was sequenced and bioinformatically analyzed to determine microbial diversity and full-length xylanases. Analyses of BLAST, biophysicochemical characteristics, phylogenetic tree, and multiple sequence alignment were performed with Blastp, ProtParam, MEGA11 software, and Clustal Omega, respectively. Three-dimensional homology models of three xylanases (AWBRMetXyn5, AWBRMetXyn10, and AWBRMetXyn19) were constructed by SWISS-MODEL and validated by ProSA, ProCheck, and Verify3D. Also, their 3D models were structurally analyzed by PyMOL, BANΔIT, thermostability predictor, What If, and Protein Interaction Calculator (PIC) software. Protein-ligand interactions were examined by docking and MD simulation. Shotgun sequence and Blastp analyses showed that Clostridium (Clostridiales bacterial order), Ruminococcus (Oscillospiraceae bacterial family), Prevotella (Bacteroidales bacterial order), and Butyrivibrio (Lachnospiraceae bacterial family) were found as dominant potential xylanase-producer genera in three rumen samples. Furthermore, the biophysicochemical analysis indicated that three xylanases exhibited an aliphatic index above 80, an instability index below 40, and melting temperatures (Tm) surpassing 65 °C. Phylogenetic analysis placed three xylanases within the GH10 family, clustering them with thermophilic xylanases, while homology modeling identified the optimal template as a xylanase from a thermophilic bacterium. The structural analysis indicated that three xylanases possessed the number of salt bridges, hydrophobic interactions, and Tm score higher than 50, 165, and 70 °C, respectively; however, the reference thermophilic XynAS9 had 43, 145, and 54.41 °C, respectively. BANΔIT analysis revealed that three xylanases exhibited lower B′-factor values in the β3-α1 loop/short-helix at the N-terminal site compared to the reference thermophilic XynAS9. In contrast, six residues (G79, M123, D150, T199, A329, and G377) possessed higher B′-factor values in AWBRMetXyn5 and their aligned positions in AWBRMetXyn10 and AWBRMetXyn19, relative to XynAS9 including Gln, Glu, Ile, Lys, Ser, and Val at these positions, respectively. MD simulation results showed that the β9-η5 loop including catalytic nucleophile glutamic acid in the RMSF plot of three xylanases had a higher fluctuation than the aligned region in XynAS9. The distance analysis from the MD simulation showed that the nucleophile residue in AWBRMetXyn5 and AWBRMetXyn10 remained closer to the ligand throughout the simulation compared with XynAS9 and AWBRMetXyn19. The most notable difference between AWBRMetXyn5 and AWBRMetXyn10 was the increased amino acid fluctuations in two specific regions, the η3 short-helix and the η3-α3 loop, despite a minimal sequence difference of only 1.24%, which included three key amino acid variations (N345, N396, and T397 in AWBRMetXyn5; D345, K396, and A397 in AWBRMetXyn10). Thus, this study provided computational insights into xylanase function and thermostability, which could inform future protein engineering efforts. Additionally, three xylanases, especially AWBRMetXyn5, are promising candidates for various high-temperature industrial applications. In a forthcoming study, three xylanases will be experimentally characterized and considered for potential industrial applications. In addition, the amino acid substitutions (G79Q, M123E, D150I, T199K, A329S, and G377V) and the residues in the β3-α1 loop will be targeted for thermostability improvement of AWBRMetXyn5. The amino acids (N345, N396, and T397) and the residues on the β9-η5 loop, η3 short-helix, and η3-α3 loop will also be focused on development of the catalytic efficiency. © 2025 The Authors. Published by American Chemical Society.Türkiye Bilimsel ve Teknolojik Araştırma Kurumu, TÜBİTAK, (121Z943)Türkiye Bilimsel ve Teknolojik Araştırma Kurumu, TÜBİTA
PREPARATION, CHARACTERIZATION and DRUG RELEASE BEHAVIOR OF A CLINOPTIOLITE INCORPORATED POLYACRYLAMIDE GRAFTED GELATIN NANOCOMPOSITE IN SITU HYDROGEL
Bu çalışmada, jelatin (GA), akrilamid (AAm), klinoptiolit (CL) ve model anestetik ilaç Lidokain (LD)’den oluşan yeni tip jelatin bazlı kompozit hidrojeli serbest radikal polimerizasyon ile hazırlandı. Sentezlenen poliakrilamid ile graftlanmış jelatin (PA-g-GA), CL içerikli PA-g-GA ve ilaç yüklü PA-g-GA/CL kompozit hidrojellerinin karakterizasyonu FTIR ve SEM kullanılarak yapıldı. Sentezlenen yenkompozit hidrojelin ilaç salım davranışı, UV-Vis spektrofotometri ile incelendi. Farklı CL miktarı ve farklı ilaç konsantrasyon içeriklerinde sentezlenen yeni tip nanokompozit hidrojellerin, şişme ve ilaç salım davranışları incelendi. FTIR ve SEM analizleri, PA-g-GA/CL kompozit hidrojelinin başarıyla sentezlendiğini ve LD ilacıyla yüklendiğini ortaya koydu. Kompozitteki ilaç yükleme ve CL miktarı arttıkça LD salınımı (%) azalmıştır. İlaç salınım davranışını incelemek için LD salınım verilerine çeşitli kinetik modellere uyarlandı. Hazırlanan tüm hidrojellerin ilaç salımı Korsmeyer-Peppas modeline uymaktadır. Yeni nanokompozitlerin şişme ve ilaç salım özellikleri, jel yapısına klinoptiolitin eklenmesiyle geliştirildi.In this study, the novel gelatin based in situ hydrogel nanocomposites were prepared from incorporating clinoptiolite (CL) and Lidocaine (LD) as a model local anesthetic drug within polyacrylamide-g-gelatin (PA-g-GA) hydrogel during the synthesis by free radical polymerization. The prepared PA-g-GA, PA-g-GA/CL and drug loaded PA-g-GA/CL in situ hydrogel nanocomposites were analyzed by FTIR and SEM. The drug release behavior of the synthesized composite hydrogel was investigated with UV-Vis spectrophotometry. Swelling and drug release behavior of the new prepared hydrogel nanocomposites were investigated with different CL and drug content in the gel structure. FTIR and SEM analysis revealed that the LD loaded PA-g-GA/CL nanocomposite was successfully prepared. Drug release (%) decreased when the drug loading and CL amount in the composite increased. Various kinetic models for all drug release data were applied in order to study drug release behavior. Korsmeyer-Peppas model fitted for the drug release data of all samples. Swelling, drug release properties of the new nanocomposites were improved with the incorporation of clinoptiolite in the gel structure