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Citation - WoS: 1
Citation - Scopus: 1
3-State Protein Secondary Structure Prediction Based on Scope Classes
(Inst Tecnologia Parana, 2021) Atasever, Sema; Azginoglu, Nuh; Erbay, Hasan; Aydin, Zafer; 01. Abdullah Gül University; 02. 04. Bilgisayar Mühendisliği; 02. Mühendislik Fakültesi
Improving the accuracy of protein secondary structure prediction has been an important task in bioinformatics since it is not only the starting point in obtaining tertiary structure in hierarchical modeling but also enhances sequence analysis and sequence-structure threading to help determine structure and function. Herein we present a model based on DSPRED classifier, a hybrid method composed of dynamic Bayesian networks and a support vector machine to predict 3-state secondary structure information of proteins. We used the SCOPe (Structural Classification of Proteins-extended) database to train and test the model. The results show that DSPRED reached a Q(3) accuracy rate of 82.36% when trained and tested using proteins from all SCOPe classes. We compared our method with the popular PSI PRED on the SCOPe test datasets and found that our method outperformed PSI PRED.
Citation - WoS: 6
Citation - Scopus: 6
3-Sulfopropyl Methacrylate Based Cryogels as Potential Tissue Engineering Scaffolds
(Taylor & Francis Ltd, 2020) Durukan, Adile Yuruk; Isoglu, Ismail Alper; 01. Abdullah Gül University; 04. Yaşam ve Doğa Bilimleri Fakültesi; 04.01. Biyomühendislik
In this study, we developed cryogels containing 3-sulfopropyl methacrylate (SPMA) and 4-vinyl pyridine (4-VP) as a potential scaffold for tissue engineering applications. Cryogels with varying monomer ratios were synthesised by chemical cross-linking under cryogelation conditions. Effect of initiators and cross-linker amount (0.025-0.15 g MBA; 0.012-0.05 g APS; 2.5-12.5 mu l TEMED) and also freezing temperature (-20 and -80oC) were investigated, and the conditions were optimised according to the morphological structures examined by SEM. The functional groups of the materials were characterised by FT-IR. Compression test and swelling were applied to investigate mechanical properties and water absorption ability, respectively. As a preliminary study, selected materials were tested for cell cytotoxicity with MTT. According to our results, the ionic and biocompatible cryogels prepared in this study possessing a highly porous and interconnective structure with good mechanical characteristics and swelling properties can be suitable as tissue scaffolds for many applications.
3D Sampling of K-Space With Non-Cartesian Trajectories in MR Imaging
(Gazi Univ, Fac Engineering Architecture, 2025) Dundar, Mehmet Sait; Gumus, Kazim Z.; Yilmaz, Bulent; 01. Abdullah Gül University
This study presents an innovative approach to 3D k-space sampling in MR imaging using non-Cartesian concentric shell trajectories. The method involves 32 concentric shells of varying radii, allowing for rapid data acquisition through undersampling techniques. Simulations using IDEA software demonstrate that this approach can fill the k-space in less than one second, a significant time reduction compared to traditional FLASH sequences that can take 3-4 minutes. The concentric shell model enhances imaging efficiency by minimizing artifacts and ensuring uniform k-space filling, leading to higher resolution and faster scans. This technique shows promise for clinical applications, particularly in dynamic imaging scenarios such as acute stroke and pediatric radiology, where speed and precision are critical. As illustrated in Figure A, the concentric shell trajectories enable uniform k-space filling, significantly reducing scan times and improving image quality. These results are based on the simulations conducted with IDEA software.
3Mont: A Multi-Omics Integrative Tool for Breast Cancer Subtype Stratification
(Public Library Science, 2025) Unlu Yazici, Miray; Marron, J. S.; Bakir-Gungor, Burcu; Zou, Fei; Yousef, Malik; 01. Abdullah Gül University; 02. 04. Bilgisayar Mühendisliği; 02. Mühendislik Fakültesi; 04. Yaşam ve Doğa Bilimleri Fakültesi; 04.01. Biyomühendislik
Breast Cancer (BRCA) is a heterogeneous disease, and it is one of the most prevalent cancer types among women. Developing effective treatment strategies that address diverse types of BRCA is crucial. Notably, among different BRCA molecular sub-types, Hormone Receptor negative (HR-) BRCA cases, especially Basal-like BRCA sub-types, lack estrogen and progesterone hormone receptors and they exhibit a higher tumor growth rate compared to HR+ cases. Improving survival time and predicting prognosis for distinct molecular profiles is substantial. In this study, we propose a novel approach called 3-Multi-Omics Network and Integration Tool (3Mont), which integrates various -omics data by applying a grouping function, detecting pro-groups, and assigning scores to each pro-group using Feature importance scoring (FIS) component. Following that, machine learning (ML) models are constructed based on the prominent pro-groups, which enable the extraction of promising biomarkers for distinguishing BRCA sub-types. Our tool allows users to analyze the collective behavior of features in each pro-group (biological groups) utilizing ML algorithms. In addition, by constructing the pro-groups and equalizing the feature numbers in each pro-group using the FIS component, this process achieves a significant 20% speedup over the 3Mint tool. Contrary to conventional methods, 3Mont generates networks that illustrate the interplay of the prominent biomarkers of different -omics data. Accordingly, exploring the concerted actions of features in pro-groups facilitates understanding the dynamics of the biomarkers within the generated networks and developing effective strategies for better cancer sub-type stratification. The 3Mont tool, along with all supporting materials, can be found at https://github.com/malikyousef/3Mont.git.
Citation - WoS: 12
Citation - Scopus: 14
4D-QSAR Investigation and Pharmacophore Identification of Pyrrolo[2,1-C][1,4]Benzodiazepines Using Electron Conformational-Genetic Algorithm Method
(Taylor & Francis Ltd, 2016) Ozalp, A.; Yavuz, S. C.; Sabanci, N.; Copur, F.; Kokbudak, Z.; Saripinar, E.; 01. Abdullah Gül University
In this paper, we present the results of pharmacophore identification and bioactivity prediction for pyrrolo[2,1-c][1,4]benzodiazepine derivatives using the electron conformational-genetic algorithm (EC-GA) method as 4D-QSAR analysis. Using the data obtained from quantum chemical calculations at PM3/HF level, the electron conformational matrices of congruity (ECMC) were constructed by EMRE software. The ECMC of the lowest energy conformer of the compound with the highest activity was chosen as the template and compared with the ECMCs of the lowest energy conformer of the other compounds within given tolerances to reveal the electron conformational submatrix of activity (ECSA, i.e. pharmacophore) by ECSP software. A descriptor pool was generated taking into account the obtained pharmacophore. To predict the theoretical activity and select the best subset of variables affecting bioactivities, the nonlinear least square regression method and genetic algorithm were performed. For four types of activity including the GI(50), TGI, LC50 and IC50 of the pyrrolo[2,1-c][1,4] benzodiazepine series, the r(train)(2), r(test)(2) and q(2) values were 0.858, 0.810, 0.771; 0.853, 0.848, 0.787; 0.703, 0.787, 0.600; and 0.776, 0.722, 0.687, respectively.
Citation - Scopus: 3
50 Years of Resources Policy – What Is Next? Key Areas of Future Research
(Elsevier Ltd, 2024) Fleming-Munoz, David A.; Campbell, Gary A.; Ley, Yalin; Arratia-Solar, Andrea; Aroca, Patricio A.; Atienza-Ubeda, Miguel; Kumral, Mustafa; 01. Abdullah Gül University
In 2024, Resources Policy reaches its 50th anniversary as a journal. Fifty years leading the field of mineral and fossil fuel policies and economic research worldwide. Considering this special milestone, we provide a forward-looking view in this paper, highlighting seven areas we believe are critical for robust research that Resources Policy should publish in the future. Leveraging our research expertise and knowledge with the journal, these seven areas of future research include implications of post-mining and energy transitions, the dark side of critical minerals, the increasing substitution of local labour by alternative inputs, the role of the resource curse in resilience considerations, the cleaner production role of mining, macroeconomic frameworks, and the future of mining beyond mines (deep-sea and space mining). We believe more research is needed in these seven research areas, which can enhance our understanding of critical aspects, reduce uncertainty, and provide novel ways to address societal, environmental, economic and policy challenges related to the extraction and use of minerals and fossil fuels. © 2024 Elsevier B.V., All rights reserved.
Citation - WoS: 2
Citation - Scopus: 1
94.8 Km-Range Direct Detection Fiber Optic Distributed Acoustic Sensor
(Optica Publishing Group (Formerly OSA), 2019) Uyar, F.; Onat, T.; Unal, C.; Kartaloǧlu, T.; Ozdur, I.; Özbay, E.; 01. Abdullah Gül University
This work demonstrates an ultra-long range direct detection fiber optic distributed acoustic sensor which can detect vibrations at a distance of 94.8 km with 10 m resolution along the sensing fiber. © 2023 Elsevier B.V., All rights reserved.
Citation - WoS: 2
Citation - Scopus: 3
94.8 Km-Range Direct Detection Fiber Optic Distributed Acoustic Sensor
(Institute of Electrical and Electronics Engineers Inc., 2019) Uyar, Faruk; Onat, Talha; Unal, Canberk; Kartaloǧlu, Tolga; Ozdur, Ibrahim T.; Özbay, Ekmel; 01. Abdullah Gül University
This work demonstrates an ultra-long range direct detection fiber optic distributed acoustic sensor which can detect vibrations at a distance of 94.8 km with 10 m resolution along the sensing fiber. © 2019 Elsevier B.V., All rights reserved.
A Comparative Study of Existing and Current On-Site Documentation of Anatolian Seljuk Kümbets
(Elsevier Ltd, 2025) Güzelci, O.Z.; Türel, A.; 01. Abdullah Gül University
During the Anatolian Seljuk period (1077–1307), monumental tombs known as kümbets emerged as a distinct architectural typology in present-day Türkiye. 2D drawings of these structures, produced since the early 20th century, contain inconsistencies that necessitate verification and accurate documentation. This study digitally documents Anatolian Seljuk kümbets in 3D to generate updated 2D sections reflecting their current condition and compares these with previously published drawings. The methodology includes collecting available 2D sections, digitally documenting kümbets through field studies, generating new 2D sections from 3D models, and systematically comparing these datasets. Two image-based metrics are employed in the comparison: the Exact Pixel Match Ratio (EPMR), which evaluates pixel-level alignment, and the Structural Similarity Index Measure (SSIM), a standard indicator for visual similarity. The results provide a comparative framework for assessing previous drawings and present a verified, up-to-date dataset of kümbet sections for future research. © 2025 Elsevier B.V., All rights reserved.
A Comprehensive Review on the Extraction and Recovery of Lithium from Primary and Secondary Sources: Advances Toward Battery-Grade Materials
(Wiley, 2025) Top, Soner; Kursunoglu, Sait; Altiner, Mahmut; 01. Abdullah Gül University; 02.07. Malzeme Bilimi ve Nanoteknoloji Mühendisliği; 02. Mühendislik Fakültesi
Lithium-ion battery (LIB) technologies have become indispensable to modern energy systems, driving global demand for high-purity lithium compounds. This review focuses on lithium recovery and purification strategies for battery-grade lithium carbonate (Li2CO3) and lithium hydroxide (LiOH), addressing both primary sources (brines and minerals) and secondary sources (waste materials). Industrially established processes, such as evaporation-based brine treatment and conventional metallurgical methods, are discussed alongside emerging techniques, including membrane separation, solvent extraction, and CO2-assisted precipitation. Particular attention is given to lithium precipitation mechanisms, the behaviour of co-existing ions during extraction, and the specific quality requirements for cathode material synthesis. By evaluating process scalability, environmental impact, and product purity, this review provides a comprehensive understanding of current practices and future directions. Additionally, it highlights the growing importance of lithium in the context of accelerating electric vehicle (EV) adoption, underscoring the bright and expanding future of the lithium industry.
Citation - WoS: 3
Citation - Scopus: 3
Ab Initio Simulation of Amorphous BC3
(Elsevier, 2020) Durandurdu, Murat; 01. Abdullah Gül University; 02.07. Malzeme Bilimi ve Nanoteknoloji Mühendisliği; 02. Mühendislik Fakültesi
We report the structural and electrical properties of an amorphous BC3 model based on ab initio molecular dynamics simulations. The amorphous network is achieved from the melt and has a layer-like structure consisting of mainly hexagonal (six membered) rings as in the crystal. However, the distribution of boron atoms in the noncrystalline configuration appears to differ significantly from that of boron atoms in the crystal. The network is a solid solution and has randomly distributed nanosized graphene-like domains at each layer. Boron atoms have a tendency to form more overcoordinated defects involving with boron-boron homopolar bond(s). The mean coordination of boron and carbon atoms is 3.2 and 3.0, respectively. Interestingly the amorphous configuration is found to have a slightly higher density and bulk modulus than the crystal, which are attributed to the existence of overcoordinated units in the amorphous state. Based on the localization of the band tail states, noncrystalline BC3 is speculated to be a semiconducting material.
Citation - WoS: 1
Citation - Scopus: 1
Ab Initio Study of Boron-Rich Amorphous Boron Carbides
(Wiley, 2023) Yildiz, Tevhide Ayca; Durandurdu, Murat; 01. Abdullah Gül University; 02.07. Malzeme Bilimi ve Nanoteknoloji Mühendisliği; 02. Mühendislik Fakültesi
Amorphous boron carbide compositions having high B contents (BxC1-x, 0.50 <= x <= 0.95) are systematically created by way of ab initio molecular dynamics calculations, and their structural, electrical, and mechanical characteristics are inclusively investigated. The coordination number of both B and C atoms increases progressively with increasing B/C ratio and more close-packed materials having pentagonal pyramid motifs form. An amorphous diamond-like local arrangement is found to be dominant up to 65% B content, and beyond this content, a mixed state of amorphous diamond- and B-like structures is perceived in the models because sp(3) hybridization around C atoms is still leading one for all compositions. The pentagonal pyramid motifs around C atoms are anticipated to appear beyond 65% content. The intericosahedral linear C-B-C chains do not form in any model. All amorphous boron carbides are semiconducting materials. The mechanical properties gradually increase with increasing B concentration, and some amorphous compositions are proposed to be hard materials on the basis of their Vickers hardness estimation.
Absolute Phase Noise Analysis of a Harmonically Modelocked Semiconductor Laser
(Optica Publishing Group (formerly OSA), 2017) Özharar, Sarper; Ozdur, Ibrahim T.; 01. Abdullah Gül University
We have designed and built a fiber coupled semiconductor laser at 1550 nm, which is harmonically mode-locked at 10 GHz by an external RF oscillator. The absolute phase noise of the laser is measured and discussed for two different cavity lengths. © 2023 Elsevier B.V., All rights reserved.
Citation - WoS: 6
Citation - Scopus: 6
Absorption Enhancement by Semi-Cylindrical Structures for an Organic Solar Cell Application
(Optical Soc Amer, 2020) Hah, Dooyoung; 01. Abdullah Gül University; 02. Mühendislik Fakültesi; 02.05. Elektrik & Elektronik Mühendisliği
Organic solar cells are attractive for various applications with their flexibility and low-cost manufacturability. In order to increase their attractiveness in practice, it is essential to improve their energy conversion efficiency. In this work, semi-cylindrical-shell-shaped structures are proposed as one of the approaches, aiming at absorption enhancement in an organic solar cell. Poly(3-hexylthiophene-2,5-diyl) blended with indene-C60 bisadduct (P3HT:ICBA) is considered as the active layer. Light coupling to the guided modes and a geometrical advantage are attributed to this absorption enhancement. Finite-difference time-domain methods and finite element analysis are used to examine the absorption spectra for two types of devices, i.e., a debossed type and an embossed type. It is shown that absorption enhancement increases as the radius of the cylinder increases, but reaches a saturation at about 4-mu m radius. The average absorption enhancement with an active layer thickness of 200 nm and radius of 4 mu m, and for incidence angles between 0 degrees and 70 degrees, is found as 51%-52% for TE-polarized input and as 30%-33% for TM-polarized input when compared to a flat structure. Another merit of the proposed structures is that the range of incidence angles where the integrated absorption is at the level of the normal incidence is significantly broadened, reaching 70 degrees-80 degrees. This feature can be highly useful especially when organic solar cells are to be placed around a round object. The study results also exhibit that the proposed devices bear broadband absorption characteristics. (C) 2020 Optical Society of America
Citation - WoS: 1
Citation - Scopus: 2
Accelerated Artificial Bee Colony Optimization for Cost-Sensitive Neural Networks in Multi-Class Problems
(Wiley, 2025) Hacilar, Hilal; Dedeturk, Bilge Kagan; Ozmen, Mihrimah; Celik, Mehlika Eraslan; Gungor, Vehbi Cagri; 01. Abdullah Gül University; 02. 04. Bilgisayar Mühendisliği; 02. Mühendislik Fakültesi
Metaheuristics are advanced problem-solving techniques that develop efficient algorithms to address complex challenges, while neural networks are algorithms inspired by the structure and function of the human brain. Combining these approaches enables the resolution of complex optimization problems that traditional methods struggle to solve. This study presents a novel approach integrating the ABC algorithm with ANNs for weight optimization. The method is further enhanced by vectorization and parallelization techniques on both CPU and GPU to improve computational efficiency. Additionally, this study introduces a cost-sensitive fitness function tailored for multi-class classification to optimize results by considering relationships between target class levels. It validates these advancements in two critical applications: network intrusion detection and earthquake damage estimation. Notably, this study makes a significant contribution to earthquake damage assessment by leveraging machine learning algorithms and metaheuristics to enhance predictive models and decision-making in disaster response. By addressing the dynamic nature of earthquake damage, this research fills a critical gap in existing models and broadens the understanding of how machine learning and metaheuristics can improve disaster response strategies. In both domains, the ABC-ANN implementation yields promising results, particularly in earthquake damage estimation, where the cost-sensitive approach demonstrates satisfactory outcomes in macro-F1 and accuracy. The best results for macro-F1, weighted-F1, and overall accuracy provides best results with the UNSW-NB15 and earthquake datasets, showing values of 64%, 72%, 68%, and 60%, 80%, and 79%, respectively. Comparative performance evaluations reveal that the proposed parallel ABC-ANN model, incorporating the novel cost-sensitive fitness function and enhanced by vectorization and parallelization techniques, significantly reduces training time and outperforms state-of-the-art methods in terms of macro-F1 and accuracy in both network intrusion detection and earthquake damage estimation.
Accurate Prediction of Residual Stresses in Machining of Inconel 718 Alloy through Crystal Plasticity Modelling
(2023) Bal, Burak; Cetın, Barıs; Yılmaz, Okan Deniz; Kesriklioglu, Sinan; Kapçı, Mehmet Fazıl; Buyukcapar, Ridvan; 01. Abdullah Gül University; 02.06. Makine Mühendisliği; 02. Mühendislik Fakültesi
Artık gerilmelerin belirlenmesi ve değerlendirilmesi, savunma, havacılık ve otomotiv endüstrilerinde kullanılan bileşenlerin arızalanmasını önlemede çok önemlidir. Bu çalışmanın amacı, Inconel 718'in işlenmesi sırasında oluşan artık gerilmeleri doğru bir şekilde tahmin etmek için bir malzeme modeli sunmaktır. Ortogonal talaşlı imalat testleri, çeşitli kesme ve ilerleme hızlarında gerçekleştirilerek, Inconel 718'in işlenmesinden sonraki artık gerilmeler, X-Ray ışın kırınımı ile karakterize edildi. Bu süper alaşımın mikroyapısal girdilerini ticari olarak temin edilebilen bir sonlu eleman yazılımına (Deform 2D) aktarmak için bir viskoplastik kendi içinde tutarlı kristal plastisite modeli geliştirildi. Ayrıca simülasyonlar klasik Johnson - Cook malzeme modeli ile aynı işleme parametrelerinde yapıldı. Bu çalışmada elde edilen simülasyon ve deneysel sonuçlar, kristal plastisite tabanlı çok ölçekli ve çok ölçekli malzeme modelinin, mevcut modele kıyasla Inconel 718'in işleme kaynaklı kalıntı gerilmelerinin tahmin doğruluğunu önemli ölçüde geliştirdiğini ve yüzey kusurlarını en aza indirmek için kullanılabileceğini göstermiştir. Geliştirilen bu model, kesilmesi zor malzemelerin işlenmesinde yüzey kusurlarını ve üretim denemelerinin maliyetini en aza indirmek için kullanılabilir.
Achieving Extreme Solubility and Green Solvent-Processed Organic Field-Effect Transistors: A Viable Asymmetric Functionalization of [1]Benzothieno[3,2-B][1]Benzothiophenes
(American Chemical Society, 2025) Yıldız, T.A.; Deneme, İ.; Usta, H.; 01. Abdullah Gül University; 10. Rektörlük; 02.07. Malzeme Bilimi ve Nanoteknoloji Mühendisliği; 02. Mühendislik Fakültesi
Novel structural engineering strategies for solubilizing high-mobility semiconductors are critical, which enables green solvent processing for eco-friendly, sustainable device fabrication, and unique molecular properties. Here, we introduce a viable asymmetric functionalization approach, synthesizing monocarbonyl [1]benzothieno[3,2-b][1]benzothiophene molecules on a gram scale in two transition-metal-free steps. An unprecedented solubility of up to 176.0 mg·mL–1(at room temperature) is achieved, which is the highest reported to date for a high-performance organic semiconductor. The single-crystal structural analysis reveals a herringbone motif with multiple edge-to-face interactions and nonclassical hydrogen bonds involving the carbonyl unit. The asymmetric backbones adopt an antiparallel arrangement, enabling face-to-face π-π interactions. The mono(alkyl-aryl)carbonyl-BTBT compound, m-C6PhCO-BTBT enables formulations in varied green solvents, including acetone and ethanol, all achieving p-channel top-contact/bottom-gate OFETs in ambient conditions. Charge carrier mobilities of up to 1.87 cm2/V·s (μeff≈ 0.4 cm2/V·s; Ion/Ioff≈ 107–108) were achieved. To the best of our knowledge, this is one of the highest OFET performances achieved using a green solvent. Hansen solubility parameters (HSP) analysis, combined with Scatchard–Hildebrand regular solution theory and single-crystal packing analysis, elucidates this exceptional solubility and reveals unique relationships between molecular structure, interaction energy densities, cohesive energetics, and solute–solvent distances (Ra). An optimal solute–green solvent interaction distance in HSP space proves critical for green solvent-processed thin-film properties. This asymmetric functionalization approach, with demonstrated unique solubility insights, provides a foundation for designing green solvent-processable π-conjugated systems, potentially advancing innovation in sustainable (opto)electronics and bioelectronics. © 2025 Elsevier B.V., All rights reserved.
Achieving High Optical Absorption in Thin Film Photovoltaic Devices via Nanopillar Arrays and Metal Nanoparticles
(Wiley-VCH Verlag GmbH, 2025) Tut, Turgut; 01. Abdullah Gül University; 02.07. Malzeme Bilimi ve Nanoteknoloji Mühendisliği; 02. Mühendislik Fakültesi
In this study, crystalline silicon nanopillars has been employed as a hexagonal array photonic crystal structure with low optical reflection, augmented by silver metallic nanoparticles ranging from 10 to 50 nm in diameter in order to achieve high absorption in thin silicon films, a critical factor for applications in photovoltaic devices. Initially, it has been begun with an optimized structure in terms of pillar filling ratio, pillar height, and diameter, as established in the previous study. This allows to obtain a hexagonal array of nanopillars with a surface characterized by low optical reflection. To enhance the optical absorption within the bulk of the silicon thin film, the optical scattering properties of silver (Ag) metallic nanoparticles (MNPs) has been harnessed. The integration of silver metal nanoparticles into the photonic crystal hexagonal nanopillar array involved introducing a cavity into the silicon pillar. Placing Ag MNPs near the bottom of the cavity prevented the degradation of the photonic crystal's ability to maintain low reflection within the desired optical spectrum (between 400-1100 nm). Comparison between the nanopillar hexagonal array structure with Ag MNPs and the bare silicon substrate revealed a remarkable 104.76 percent increase in optical absorption for a 1-micron thick silicon bulk material. This triple hybrid structure exhibits tremendous potential in photovoltaic device applications, including solar cells and photodetectors, with the capacity to significantly enhance conversion efficiency.
Acoustic Transformation of Rock-Cut Caves Into Performance Spaces
(European Acoustics Association, EAA, 2023) Aslan, Ahmet; Şaher, Konca; Tozoğlu, Ahmet Erdem; 01. Abdullah Gül University; 05.01. Mimarlık; 05. Mimarlık Fakültesi
Cappadocia Region in Turkey is a center of attention as a tourism destination with its rock-cut caves, some of which are being used as performance spaces for concerts, festivals and local entertainment activities. However, these spaces are not fully investigated for their acoustic performance before being transformed into performance venues. This paper reports on the findings of an initial survey which presents a systematic mapping of the rock-cut caves used as performance spaces to locate, explore and document a sample of structures scattered in this historic district. A typological classification based on volume, size, type of tuff rock material and historical original use has been proposed and an acoustic analysis of some selected rock-cut caves has been carried out. The acoustic analysis included reverberation time calculations and simulations based on apparent volume, and tuff stone absorption characteristics, which were studied by other researchers in the area. © 2024 Elsevier B.V., All rights reserved.
Citation - Scopus: 49
Activation of Methane by Os+: Guided-Ion and Theoretical Studies
(2013) Armentrout, Peter B.; Parke, Laura G.; Hinton, Christopher S.; Citir, Murat; 01. Abdullah Gül University
Activation of methane by the third-row transition-metal cation Os + is studied experimentally by examining the kinetic energy dependence of reactions of Os+ with CH4 and CD4 using guided-ion-beam tandem mass spectrometry. A flow tube ion source produces Os+ in its electronic ground state and primarily in the ground spin-orbit level. Dehydrogenation to form [Os,C,2 H]++H2 is exothermic, efficient, and the only process observed at low energies for reaction of Os+ with methane, whereas OsH+ dominates the product spectrum at higher energies. The kinetic energy dependences of the cross sections for several endothermic reactions are analyzed to give 0K bond dissociation energies (in eV) of D0(Os+-C)=6.20±0. 21, D0(Os+-CH)=6.77±0.15, and D0(Os +-CH3)=3.00±0.17. Because it is formed exothermically, D0(Os+-CH2) must be greater than 4.71eV, and a speculative interpretation suggests the exothermicity exceeds 0.6eV. Quantum chemical calculations at the B3LYP/def2-TZVPP level show reasonable agreement with the experimental bond energies and with previous theoretical values available. Theory also provides the electronic structures of the product species as well as intermediates and transition states along the reactive potential energy surfaces. Notably, the structure of the dehydrogenation product is predicted to be HOsCH+, rather than OsCH2+, in contrast to previous work. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. © 2013 Elsevier B.V., All rights reserved.

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