Synthesis, characterization, biological, X-ray diffraction analysis and computational chemistry studies of new 2-acetylpyridine derivative hydrazone and its Zn(II) complex

A new aroyl hydrazone ligand ((E)-2-phenyl-N’-(1-(pyridine-2-yl)ethylidene)acetohydrazide) HL and its metal complex [ZnL2] (1) have been synthesized and characterized by using elemental analysis, IR and UV–vis spectroscopy methods. All data indicate that the ligand is coordinated through enolate oxygen, pyridine nitrogen and the imine nitrogen in enolic form towards the metal ions. The single crystal X-ray diffraction analysis and Density Functional Theory (DFT) calculations were carried out for HL and 1 structures. HL and 1 crystallize in the monoclinic and the orthorhombic with P 21/n and P b c n space group with a = 5.2051(4) Å, b = 10.0477(9) Å, c = 25.204(2) Å, with a = 14.1300(18) Å, b = 9.3287(13) Å, c = 21.491(3) Å, respectively. The geometries, molecular orbital energies, and stability of the molecular structures were investigated in different solvent environments by using DFT/B3LYP/6-311G (d, p) method. Theoretical UV–vis spectra of the molecular structures were obtained and the percentage contributions of atomic orbitals of functional groups of the molecular structures to the molecular orbital energy levels were calculated in water media. The global reactivity parameters of the molecular structures were calculated and the interactions between the molecules with DNA bases such as adenine, cytosine, guanine, and thymine were investigated by using the ECT (Electrophilicity-Based Charge Transfer) method and ΔN (charge transfer) parameters. All the compounds were screened for antibacterial activity against Gram-positive, Gram-negative and yeast by using minimal inhibitory concentration method (MIC). [ZnL2] (1) has been found to have more effect than HL in all microorganisms. Moreover, antioxidant activity was determined with the ABTS method. The DNA binding interactions was also determined experimentally by spectrophotometric and electrochemical methods. © 2020 Elsevier B.V

Crystal structure and Hirshfeld surface analysis of two 5,11-methanobenzo[g][1,2,4]triazolo[1,5 c][1,3,5]oxadiazocine derivatives

In the title compounds, 9-bromo-2,5-dimethyl-11,12-dihydro-5H-5,11-methanobenzo[g][1,2,4]triazolo[1,5-c][1,3,5]oxadiazocine, C13H13BrN4O (I), and 7-methoxy-5-methyl-2-(pyridin-4-yl)-11,12-dihydro-5H-5,11-methanobenzo[g][1,2,4]triazolo[1,5-c][1,3,5]oxadiazocine, C18H17N5O2 (II), the triazole ring is inclined to the benzene ring by 85.15 (9) and 76.98 (5) in compounds I and II, respectively. In II, the pyridine ring is almost coplanar with the triazole ring, having a dihedral angle of 4.19 (8). In the crystal of I, pairs of N—HN hydrogen bonds link the molecules to form inversion dimers with an R2 2 (8) ring motif. The dimers are linked by C—H and C—Br interactions forming layers parallel to the bc plane. In the crystal of II, molecules are linked by N—HN and C—HO hydrogen bonds forming chains propagating along the b-axis direction. The intermolecular interactions were investigated using Hirshfeld surface analysis and two-dimensional fingerprint plots, and the molecular electrostatic potential surface was also analysed. The Hirshfeld surface analysis of I suggests that the most significant contributions to the crystal packing are HH (42.4%) and OH/HO (17.9%) contacts. For compound II, the HH (48.5%), CH/ HC (19.6%) and NH/HN (16.9%) interactions are the most important contributions.The authors acknowledge the Faculty of Arts and Sciences, Ondokuz Mayis University, Turkey, for the use of the Stoe IPDS 2 diffractometer (purchased under grant F. 279 of the University Research Fund) and the Council of Higher Education of Turkey, Mevlana Exchange Program (MEV-2016-027)

2-[2-(4-Benzyl­piperazin-1-ylcarbon­yl)eth­yl]-5,6-diphenyl­pyridazin-3(2H)-one

The title compound, C30H30N4O2, has a non-planar conformation, the dihedral angles formed by the pyridazinone ring plane and the three phenyl rings being 54.61 (7), 51.10 (7) and 59.53 (8)°. The piperazine ring adopts a chair conformation. Inter- and intra­molecular C—H⋯O contacts are found in the crystal structure and these consolidate the three-dimensional packing

Alışveriş yaklaşımları ve veri analitiği yöntemleri ile süpermarket yerleşim düzeninin planlanması

Süpermarketler için mağaza yerleşim düzeninin planlanması hayati önem taşımaktadır. Süpermarket satış işlem verilerinin analizi, müşteri davranışlarının anlaşılması ve çıkarımlar yapılmasını sağlayan önemli bir anahtardır. Günümüzdeki teknolojik gelişmeler sayesinde çok büyük veri setlerinden anlamlı sonuçlar elde etmek için veri madenciliği yöntemi kullanılmaktadır. Bu araştırmada, süpermarket mağaza düzenini iyileştirmek üzere uygulanan farklı alışveriş yaklaşımları deneyle test edilmekte, veri analitiği uygulanmakta ve tasarımsal bir alışveriş düzeni çerçevesi önerilmektedir. Araştırmada ilk olarak, süpermarkete daha iyi bir yerleşim düzeni sunmak ve karlılığını artırmak için 3 farklı alışveriş yerleşim stratejisi tasarlanmış ve deneyle test edilmiştir. Sonraki adımda, müşterilerin süpermarketteki alışveriş gezisinde seçtikleri ürün gruplarının birliktelik kurallarını oluşturmak için satış işlem verilerindeki öğeler ilişkilendirilmiş ve ürün gruplarından oluşan her ilişkisel benzerliğe sahip öğe grubunu mağaza alanında yerleştirebilmek için Çok Boyutlu Ölçek (MDS) yöntemi uygulanmıştır. Gerçek zaman, mekan ve müşterilerle uygulanan alışveriş yaklaşımlarından ve süpermarket raflarında bulunan tüm ürün gruplarının veri analizinden elde edilen sonuçlarla, hem tüketici odaklı hem de işletme odaklı farklı bir süpermarket düzeni sunulmaktadır. Zıt alışveriş teorileri ile geliştirilen mağaza düzeni yaklaşımının hem akademi hem de perakende sektörü için yararlı bir rehber niteliğinde olacağı düşünülmektedir.Planning the store layout is significant in supermarkets. Analysis of supermarket sales transaction data is an important key to understanding customer behaviour and making inferences. Through today's technological developments, data mining method is used to obtain meaningful results from very large data sets. In this research, different shopping approaches to improve supermarket store layout are experimentally tested, data analytics are applied and a design shopping layout framework is proposed. Firstly, three different shopping layout strategies are designed and experimentally tested to provide a better layout for the supermarket and increase its profitability. In the next step, the items in the sales transaction data are associated to form the association rules of the product groups selected by customers during their shopping trip in the supermarket, and the Multidimensional Scale (MDS) method is applied to place each group of items with relational similarity in the store area. With the results obtained from the shopping approaches applied in real time, space and with customers and from the data analysis of all product groups on the supermarket shelves, a different supermarket layout, both consumer-oriented and business-oriented, is presented. It is thought that the store layout approach developed with contrasting shopping theories will be a useful guide for both academia and the retail sector

Arama motoru reklamcılığında slogan kullanımı: Süt ürünleri sektöründe bir uygulama

İnternet, reklamcılık uygulamaları açısından önemli bir platform haline gelmiştir. Geleneksel mecraların, gelişen dünya şartlarında eskisi kadar olanaklar sunmaması yeni mecraların doğmasına sebep olmuştur. İnternet reklamcılığının temelde amacı, geleneksel reklam ile aynı olsa da, sağladığı maliyet tasarrufu, ölçülebilirlik ve interaktiflik gibi avantajlarla geleneksel yöntemlerden farklılık göstermektedir. İnternet reklamcılığı birçok türe sahiptir. Bunlardan bir tanesi arama motorları vasıtasıyla yapılan arama motoru reklamcılığıdır. Arama motorları, bilgiye erişim için sık kullanılan bir kaynak olması sebebiyle, İnternet reklamcılığı açısından önemli bir mecradır. Sağladığı avantajlar dolayısıyla küçük ve büyük ölçekli tüm işletmeler için uygun olan arama motoru reklamcılığı, reklam veren için önemli bir tutundurma aracıdır. Bu çalışmanın amacı, İnternet reklamcılığı kanallarından biri olan arama motoru reklamcılığı ile reklam sloganlarının incelenmesidir. Çalışmanın uygulama aşamasında, süt ürünleri sektöründe faaliyet göstermekte olan Yüksektepe Gıda Limited Şirketi’nde, Google AdWords reklamcılığı uygulanarak, sloganlar arasındaki ilişki incelenmiş, en etkin slogan tarzı araştırılmış, tıklama eğilimleri; günün saatlerine göre ve haftanın günlerine göre değerlendirilmiştir.The Internet has become an important platform for the advertising concepts. In the developing world, traditional Internet advertising types are not able to provide opportunities as much as before has lead to occurs new Internet advertising types. The basically purpose of Internet advertising is the same even though with traditional advertising, differs from the traditional method with advantages such as cost saving, scalability and interactivity. Internet advertising has many varieties. One of them is search engine advertising that made though search engine. Search engine is an important type in terms of Internet advertising by reason of a source which is used often and often for access to information. Searching engine advertising, which is suitable for all small and large scale bussiness owning to provides of advantages, is an important items of promotion for advertisers. The aim of this study is to observe advertising slogans and search engine advertising which is one of Internet advertising channels. The implementation phase of the study was investigated the most effective slogan style, click trends depending on the time, examined the relationship between slogans, evaluated days of the week by applying Google AdWords advertising on a Yüksektepe Food Limited Company which operates in dairy products sector

Evaluation of the fibulae associated to the burial customs of bronze and iron age societies of Aegean basin in context of function, belief, typology, and identity

Bu tez çalışmasında Ege Havzası içerisinde değerlendirilen, Batı Anadolu coğrafyasında, İÖ 12-7/6. yüzyıllar arasına tarihlenen 3 bölge, 16 merkez, 53 mezar ve 324 fibula, Adalar coğrafyasında İÖ 13/12-6. yüzyıllar arasına tarihlenen 7 bölge, 10 merkez, 96 mezar, 178 fibula ve Kıta Yunanistan coğrafyasında İÖ 13/12-6. yüzyıllar arasına tarihlenen 11 bölge, 18 merkez, 91 mezar ve 294 fibula incelenmiştir. Çalışma kapsamında toplam 21 bölge, 44 merkez, 240 mezar, 796 fibula ele alınmıştır. Fibulalar hakkındaki ilk kapsamlı çalışma 1926 yılında Blinkenberg tarafından yapılmıştır. Günümüz çengelli iğneleri ile eşdeğer tutulan bu objeler döneminin takı repertuarında yerini almıştır. İÖ 2. binyılın sonlarında ilk kez Doğu Avrupa'da ortaya çıktığı düşünülen fibulaların mezarlara bırakılış öyküsü çalışmanın ana konusunu oluşturmaktadır. Çalışma, Geç Tunç Çağından Geç Demir Çağına kadarki süreçte defin gören; Kıta Yunanistan, Adalar, Anadolu, coğrafyalarındaki kazısı yapılmış mezarlardan saptanan fibulaların bütünü ile incelenmesini içermektedir. Ayrıca farklı coğrafyalardaki bahsi geçen bölgelerdeki örnekleri destekleyecek nitelikteki buluntulara da çalışmada yer verilecektir. Aynı zamanda ölen bireylerin defnedilirken kefenle mi yoksa kıyafetleriyle mi gömüldükleri sorusuna yanıt aranacaktır. Ölüm, toplumsal gerçekliğin üzerine kurulduğu önemli olgulardan birisidir. Mezarlarda bulunan armağanların ise genellikle ölen bireyin kişisel eşyalarının beden ve ruh ile birlikte yer altı dünyasına eşlik eden maddi belgeleri sunduğuna inanılmaktadır. Fakat armağanların defin öncesi seremonilerde mi, yoksa öteki dünya yolculuğunda bireyi korumak ya da yolculuğu kolaylaştırmak için mi konuldukları tartışma konusudur. Mezar armağanları aynı zamanda sosyal hiyerarşiyi de net bir şekilde yansıtmaktadır. Fibulaların ise hangi amaçla mezara bırakıldığı belirsizliğini korumaktadır. Bu belirsizlik akıllara kazınan olasılıklar göz önünde bulundurularak çalışma kapsamında ele alınmış ve çalışma neticesinde incelenen bölgelerin hem kendi içindeki hem de çapraz karşılaştırmalar ile var olan tipler üzerinden tasnif çalışması yapılmıştır.In this thesis study, in the Western Anatolian geography, which is evaluated within the Aegean Basin, 3 regions dated between 12-7/6 centuries BC, 16 centers, 53 tombs and 324 fibulae, in the geography of islands 7 regions, 10 centres, 96 tombs, 178 fibulae dated between 13/12-6 centuries BC, and in the geography of continental Greece 11 regions, 18 centers, 91 tombs and 294 fibulae dated to 13/12-6 centuries BC are examined. Within the scope of this study, a total of 21 regions, 44 centers, 240 graves and 796 fibulae are discussed. The first comprehensive study of fibulae was carried out by Blinkenberg in 1926. These objects, which are equated with today's safety pins, took their place in the jewelry repertoire of the period. The main subject of the study is the story of the fibulae, which is thought to have emerged for the first time in Eastern Europe at the end of the 2nd millennium BC. The study includes the complete examination of the fibulae found in the excavated tombs located in continental Greece, Islands and Anatolia, which were buried in the period from the Late Bronze Age to the Late Iron Age. In addition, the findings that support the examples in the mentioned regions in different geographies will be included in the study. At the same time, an answer will be sought to the question of whether the deceased individuals were buried with a shroud or with their clothes. Death is one of the important facts on which social reality is built. The gifts found in the tombs are generally believed to present the personal belongings of the deceased, along with the body and soul, as well as the material documents accompanying the underworld. However, it is a matter of debate whether the gifts were put in the ceremonies before the burial or to protect the individual during the journey to the next world or to facilitate the journey. The burial gifts also clearly reflect the social hierarchy. It remains unclear for what purpose the fibulae were left in the grave. This uncertainty was handled within the scope of the study by taking into account the possibilities that were engraved in mind, and as a result of the study, a classification study was carried out on the existing types, both within themselves and with cross-comparisons

AN ANALYTICAL APPROACH TO AUTOMOTIVE INDUSTRY

Inventory control helps to manage or locate materials and any information through the processes in the company. The aim of the inventory management in the companies is to optimize inventory control. Especially, for the manufacturing companies, inventory control has an important goal which satisfies the product to the customer on time. Therefore, the system in the production processes should not have any trouble during the production. This study aims to optimize the production system of a two stage production processes where the bumpers are produced for different type of cars and different colors due to the model of the car. In the first stage there are three injection machines which are parallel, and in the second stage, there is a dying station. A mixed-integer linear programming model is proposed to optimize the production process. With the proposed model, the production of the injection processes is optimized and the lot sizes for each stage are determined. Also, front and back bumpers for each same model is dyed concurrently which prevents the color difference for the same model of each type of car

Molecular And Crystal Structure, Spectroscopic Properties Of 2-Methyl-4-(3-Methyl-3-Phenylcyclobutyl)-Thiazole Determined By The Experimental Method And A Quantum Chemical Calculation

The structure of the synthesized title compound is characterized by IR, UV-visible spectroscopy, and single crystal X-ray diffraction (XRD). The new compound (C18H23NS) crystalizes in the monoclinic P21/c space group. In addition to the crystal structure from the X-ray experiment, the molecular geometry, vibrational frequencies, atomic charge distribution, and frontier molecular orbital (FMO) analysis of the title compound in the ground state are calculated by density functional teory (B3LYP) with 6-311G(d,p) and 6-31G(d,p) basis sets. The results of the optimized molecular structure are presented and compared with the experimental values. The computed vibrational frequencies are used to determine the types of molecular motions associated with each of the observed experimental bands. To determine the conformational flexibility, the molecular energy profile of (1) is obtained by semi-empirical (AM1) and (PM3) calculations with respect to a selected degree of torsional freedom. Moreover, molecular electrostatic potential (MEP) and thermodynamic parameters of the title compound were calculated by the theoretical methods