Synthesis, in vitro antioxidant and antimicrobial activities of some novel 3-substitued-4-(3-methoxy-4-isobutyryloxybenzylideneamino)-4,5-dihydro- 1H-1,2,4-triazol-5-one derivatives

271-282In this study, 3-alkyl(aryl)-4-amino-4,5-dihydro-1H-1,2,4-triazol-5-ones have been reacted with 3-methoxy-4-isobutyryloxybenzaldehyde 2 to afford the corresponding nine new 3-alkyl(aryl)-4-(3-methoxy-4-isobutyryloxybenzylideneamino)-4,5-dihydro-1H-1,2,4-triazol-5-ones 3. Then, the acetylation reactions of compounds 3 have been investigated and 4 type compounds have been obtained. The compounds 3 have also been treated with morpholine/1-methylpiperazine in the presence of formaldehyde according to the Mannich reaction to synthesize 1-(morpholine-4-yl-methyl)-3-alkyl(aryl)-4-(3-methoxy-4-isobutyryloxy-benzylideneamino)-4,5-dihydro-1H-1,2,4-triazol-5-ones 5, and 1-(1-methylpiperazin-4-yl-methyl)-3-alkyl(aryl)-4-(3-methoxy-4-isobutyryloxybenzylideneamino)-4,5-dihydro-1H-1,2,4-triazol-5-ones 6, respectively. The structures of twenty four new compounds have been characterized by IR, 1H and 13C NMR and MS spectroscopic methods. In addition, the newly synthesized compounds have been screened for their antimicrobial activities. Furthermore, these twenty four new compounds have been analyzed for their in vitro potential antioxidant activities by three different methods

Can holography reproduce the QCD Wilson line?

Recently a remarkable agreement was found between lattice simulations of long Wilson lines and behavior of the Nambu Goto string in flat space-time. However, the latter fails to fit the short distance behavior since it admits a tachyonic mode for a string shorter than a critical length. In this paper we examine the question of whether a classical holographic Wilson line can reproduce the lattice results for Wilson lines of any length. We determine the condition on the the gravitational background to admit a Coulombic potential at short distances. We analyze the system using three different renormalization schemes. We perform an explicit best fit comparison of the lattice results with the holographic models based on near extremal D3 and D4 branes, non-critical near extremal AdS6 model and the Klebanov Strassler model. We find that all the holographic models examined admit after renormalization a constant term in the potential. We argue that the curves of the lattice simulation also have such a constant term and we discuss its physical interpretation

Bazı 3-Alkil(Aril)-4-(3-asetoksibenzilidenamino)-4,5-dihidro-1H-1,2,4-triazol-5-on Bileşiklerinin Susuz Ortam Titrasyonları

Bu çalışmada yedi adet 3-alkil(aril)-4-(3-asetoksibenzilidenamino)-4,5-dihidro-1H-1,2,4-triazol-5-on (1) bileşiğinin asitlik özellikleri incelenmiştir. 4,5-Dihidro-1H-1,2,4-triazol-5-on türevlerinin sudaki çözünürlükleri çok düşük olduğundan susuz ortam tercih edilmiştir. Bilindiği gibi son yıllarda susuz ortam titrasyonları giderek önem kazanmıştır. Çözücülerin seçiminde farklı çözücü gruplarından olmaları, susuz ortam çözücüsü olarak yaygın kullanımları, dielektrik sabitleri ve otoprotoliz sabitlerinin farklı olması önemli etken olmuştur. Susuz ortamda çözücü olarak amfiprotik nötral çözücülerden izopropil alkol ve tert-butil alkol, dipolar aprotik çözücülerden aseton ve N,N-dimetilformamid tercih edilmiştir. Titrant olarak susuz ortam titrasyonlarında geniş kullanım alanı olan tetrabutilamonyum hidroksidin (TBAH) izopropil alkoldeki çözeltisi kullanılmıştır. Asitlik tayininde titrimetrik analiz yöntemlerinde dönüm noktasının belirlenmesi için kullanılan potansiyometrik metot uygulanmıştır. Titrasyon sonucunda elde edilen sonuçlar tablolar ve grafikler halinde verilmiştir. Grafikler incelendiğinde S şeklinde tipik titrasyon eğrileri elde edildiği görülmüştür. Yarı nötralizasyon metoduyla elde edilen veriler ve grafikler kullanılarak bileşiklerin çözücülerdeki asitlik sabitleri hesaplanmıştır. Elde edilen sonuçlara göre bileşiklerin asitlik kuvvetlerinin çözücülerde farklandırıldığı belirlenmiştir.  Farklı R grupları içeren 1 tipi bileşiklerin değişik çözücülerdeki asitlik kuvvetleri çözücünün dielektrik sabiti, otoprotoliz sabiti ve seviyeleme-farklandırma etkileri incelenmiştir

The Syntheses, Molecular Structures, Spectroscopic Properties (IR, Micro-Raman, NMR and UV-vis) and DFT Calculations of Antioxidant 3-alkyl-4-[3-methoxy-4-(4-methylbenzoxy)benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-one Molecules

Gursoy-Kol, Ozlem/0000-0003-2637-9023; AKYILDIRIM, Onur/0000-0003-1090-695XWOS: 000320371400003The syntheses, antioxidant activities, acidity properties, experimental and theoretical investigations of vibrational spectra (FT-IR and micro-Raman), C-13 and H-1 NMR chemical shifts and electronic properties of 3-alkyl-4-[3-methoxy-4-(4-methylbenzoxy)benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-one (Me, Et and n-Pr) molecules have been presented for the first time. The new compounds were analyzed for their potential antioxidant activities in three different methods. The calculations of molecular structures, vibrational frequencies, C-13 and H-1 NMR chemical shifts and electronic absorption wavelengths of the title molecules were computed by using the DFT/B3LYP method with 6- 31G(d) basis set which was used to have the structural and spectroscopic data about the mentioned molecules in the ground state and the results calculated were compared with experimental values. Furthermore, gauge invariant atomic orbital (GIAO) H-1 and C-13 NMR chemical shifts in different solvents (gas phase, DMSO and cholorofom), UV-vis. TD- DFT calculations in ethanol solvent, the highest occupied molecular orbital (HOMO-1, HOMO), lowest unoccupied molecular orbital (LUMO, LUMO+1), molecular electrostatic potential map (MEP), atomic charges and thermodynamic properties of the title compounds have theoretically verified and simulated at the mentioned level. In addition, the calculated infrared intensities and Raman activities of the compounds under study have also been reported.Scientific and Technological Council of TurkeyTurkiye Bilimsel ve Teknolojik Arastirma Kurumu (TUBITAK) [TBAG 108T984]This study was supported by the Scientific and Technological Council of Turkey (Project Number: TBAG 108T984)

Synthesis and biological evaluation of new 1,2,4-triazole derivatives with their potentiometric titrations

Gursoy-Kol, Ozlem/0000-0003-2637-9023; Alpay Karaoglu, Sengul/0000-0003-1047-8350WOS: 000357468200003In the present study, 3-alkyl(aryl)-4-amino-4,5-dihydro-1H-1,2,4-triazol-5-ones (1a, b, d-g) reacted with 3-phenoxybenzaldehyde to afford 3-alkyl(aryl)-4-(3-phenoxy-benzylidenamino-4,5-dihydro-1H-1,2,4-triazol-5-ones (2a, b, d-g). Then, the acetylation reactions of compounds 2a and 2d-g were investigated. the structures of 11 new compounds were established from the elemental analysis, IR, H-1 NMR, C-13 NMR, MS, and UV spectral data. the synthesized compounds were analyzed for their in vitro potential antioxidant activities in three different methods. Compounds 2f and 3d showed best activity for the iron binding. Moreover, the compounds 2 were titrated potentiometrically with tetrabutylammonium hydroxide in four non-aqueous solvents (isopropyl alcohol, tert-butyl alcohol, acetonitrile, and N,N-dimethyl formamide). Thus, the half-neutralization potential values and the corresponding pK (a) values were determined in all cases. Furthermore, these 11 new compounds and 13 recently reported 3-alkyl(aryl)-4-(2-thienylmethyleneamino)-4,5-dihydro-1H-1,2,4-triazol-5-ones (4a-g) and 1-acetyl-3-alkyl(aryl)-4-(2-thienylmethyleneamino)-4,5-dihydro-1H-1,2,4-triazol-5-ones (5a, b, d-g) were screened for their antimicrobial activities

<i>In vitro</i> biological activity of some new 1,2,4-triazole derivatives with their potentiometric titrations

567-577In this study, 3-alkyl(aryl)-4-amino-4,5-dihydro-1H-1,2,4-triazol-5-ones 3 have been reacted with 4-methoxy-3-(p-toluenesulfonyloxy)-benzaldehyde 1 to afford the corresponding nine new 3-alkyl(aryl)-4-[4-methoxy-3-(p-toluenesulfonyloxy)-benzylidenamino)-4,5-dihydro-1H-1,2,4-triazol-5-ones 4. Then, the acetylation reactions of compounds 4 have been investigated and 5 type compounds have been obtained. The structures of fifteen new compounds have been characterized by IR, 1H and 13C NMR, MS and UV-Vis spectral data. The synthesized compounds have been analyzed for their in vitro potential antioxidant activities by three different methods. Those antioxidant activities have been compared to standard antioxidants such as BHA, BHT and α-tocopherol. Compounds 4b, 4d and 5d show best activity for iron binding. In addition, the compounds 4 have been titrated potentiometrically with tetrabutylammonium hydroxide (TBAH) in four non-aqueous solvents. Furthermore, these fifteen new compounds have been screened for their antimicrobial activities

The 1-acetyl-3-methyl-4-[3-methoxy-4-(4-methylbenzoxy)benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-one molecule investigated by a joint spectroscopic and quantum chemical calculations

Gursoy-Kol, Ozlem/0000-0003-2637-9023; Akyildirim, Onur/0000-0003-1090-695X; Gokce, Halil/0000-0003-2258-859XWOS: 000330147900038In this study, the synthesis, spectroscopic (FT-IR, micro-Raman and UV-Vis) investigations and antioxidant activity of 1-acetyl-3-methyl-4-[3-methoxy-4-(4-methylbenzoxy)benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-one molecule have been verified. The quantum chemical computations (molecular structure, vibrational frequencies, electronic absorption maximum wavelengths in gas phase and ethanol solvent, HOMO-LUMO, molecular electrostatic potential (MEP) and natural bond orbital (NBO) analyses, nonlinear optical (NLO) and thermodynamic properties and atomic charges of the title compound have been performed using the DFT/B3LYP method with 6-31G(d) basis set. The energetic behavior of title molecule in different solvent media was investigated at the B3LYP/6-31G(d) level by using the integral equation formalism polarizable continuum model (IEFPCM). A comparison between the calculated results and experimental data exhibits a very good agreement. (C) 2013 Elsevier B.V. All rights reserved

Synthesis, In Vitro Antimicrobial and Antioxidant Activities of Some New 4,5-Dihydro-1H-1,2,4-Triazol-5-One Derivatives

A series of compounds derived from 4,5-dihydro-1H-1,2,4-triazol-5-one were synthesized and characterized by spectral data. The 12 new compounds were analyzed for their potential in vitro antioxidant activities by three different methods. Compound 4f showed the best activity for the iron binding. In addition, the compounds 4 were titrated potentiometrically with tetrabutylammonium hydroxide in non-aqueous solvents. The RP-HPLC capacity factors (k0) of the series were also determined on a C18 column, with methanol/water as the mobile phase. The correlation between log k0 with the percentage of methanol in the mobile phase was used for the determination of the log kw values for these compounds. The antimicrobial activities of these compounds were also screened against bacteria and yeast

Modifiye edilmiş camsı karbon ile yeni bir Cu(II) analiz yöntemi

Bakır (Cu (II)) çok düşük seviyelerde birçok bitki ve hayvan için gerekli ve gerekli bir mikro besleyicidir. Bununla birlikte, hücre zarları ile birleşmesi nedeniyle su bitkileri için yüksek seviyelerde toksiktir. Camsı karbon elektrot (GCE), 3-fenil-4-[2-(2-naftilsülfoniloksi)-benzilamino]-4,5-dihidro-1H-1,2,4-triazol-5-on (3-PNO) ile 0,1 M destek elektrot içinde modifiye edildi. Modifiye edilmiş yüzey dönüşümlü voltametri (CV) ve X-ışınları fotoelektron spektroskopisi ile karakterize edildi. Karakterizasyon sonuçlarına göre modifiye elektrot başarılı bir şekilde elde edildi. 3-PNO ile modifye edilmiş GCE, Cu(II) iyonunun su numunesinin içinde analizi için kullanıldı. Konsantrasyon aralığı ve deteksiyon limiti sırasıyla 1.0×10-10 - 2.0×10-8 M ve 2.0×10-11 M (S/N = 3), olarak bulundu

The effects of postoperative analgesia techniques on gastrointestinal system functions after lower abdominal surgery

Amaç. Bu çalışmanın amacı, genel anestezi altında yapılan sezaryen veya abdominal histerektomi operasyonlarında, postoperatif analjezi tekniklerinin, gastrointestinal sistem fonksiyonlarına etkilerinin karşılaştırılmasıdır. Yöntem. Etik kurul ve hastaların onayı alındıktan sonra genel anestezi altında sezaryen veya abdominal histerektomi yapılacak 75 hasta rasgele 5 gruba ayrıldı. Postoperatif dönemde Grup I’e 6 saat ara ile 1mg/kg meperidin intramusküler uygulandı. Grup II’ye 1 mg/kg meperidin ve 75 mg diklofenak sodyum kombinasyonu intramusküler yöntemle 12 saat ara ile uygulandı. Grup III’e hasta kontrollü analjezi ile morfin hidroklorür 3 mg yükleme dozunda, bolus doz 1 mg ve kilitli kalma süresi 20 dakika olacak şekilde intravenöz uygulandı. Grup IV’e epidural kateterden 7 mL %0,5’lik bupivakain ile birlikte 2 mg morfin bolus dozda verildi. Bupivakainin %0.1’lik konsantrasyonunun ve morfinin 0,03 mg/mL’lik konsantrasyonundan oluşan kombinasyon 6-8 mL/saat dozunda sürekli infüzyon şeklinde uygulandı. Grup V’e epidural kateterden 3mg morfin bolus verildi. Morfinin 0,05 mg/mL’lik solüsyonundan 6-8 mL/saat dozunda sürekli infüzyon şeklinde uygulandı. Postoperatif hemodinamik veriler, sedasyon ve VAS skorları, ilk barsak hareketi, gaz-gayta çıkım zamanı, oral alım zamanları, ek analjezik gereksinimi ve yan etkiler kaydedildi. Bulgular. Gruplar arasında demografik özellikler ve hemodinamik veriler yönünden fark yoktu (p>0,05). Grup IV ve V de VAS skorları diğer gruplardan daha düşüktü. Sedasyon skorları grup III, IV, V de diğer gruplara göre daha yüksek gözlenmiştir (p<0,05). Postoperatif barsak hareketleri, gaz gayta çıkımı ve oral gıda alımı en erken Grup II ve Grup IV’de görüldü (p<0,05). Grup III, IV ve V‘ de diğer grupların aksine postoperatif metamizol gereksinimi olmadı (p<0,05). Sonuç. Sonuç olarak, epidural yoldan bupivakain - morfin uygulamasının postoperatif dönemdeki analjezik etkinlik ve gastrointestinal fonksiyonların düzelmesi açısından daha avantajlı olduğu kanaatine varıldı.Aim. The aim of this study was to compare the effects of postoperative analgesia techniques on gastrointestinal system functions at caesarean section or abdominal hysterectomy under general anesthesia. Method. After the permission of patients and Ethical committee, 75 patients that will undergo cesarian sectio or abdominal hysterectomy under general anesthesia, divided randomly into five groups. Group I patients were given intramuscular meperidine 1 mg/kg/6h postoperatively. Group II patients were given intramuscular meperidine 1 mg/kg/12h combined with 75 mg diclofenac sodium. Group III patients were given intravenous patient controlled analgesia with morphine hydrochlorur 3 mg initial bolus dose and 1 mg maintenance dose with 20 minutes lock out time. Group IV patients were applied epidural 7 mL 0.5% bupivacaine and 2mg morphine then given an infusion of 0.1% bupivacaine and 0.03 mg/mL morphine with rate of 6-8 mL/h. Group V patients were applied epidural 3 mg morphine then given an infusion of 0.05 mg/mL morphine. Postoperative hemodynamic data, sedation and VAS scores, the first bowel movement, time of gas and feces output, time of oral intake, additional analgesic requirements and side effects were recorded. Results. The demographic characteristics and hemodynamic data did not differ between groups (p&gt; 0.05). Group IV and V, had the lower VAS scores than the others (p&lt;0.05). Sedation scores were higher at Group III, IV, V than the other groups (p&lt;0.05). Postoperative bowel movements, gas and feces output, oral food intake were seen earliest in Group II and Group IV (p&lt;0.05). Group III, IV and V did not need metamizol postoperatively unlike the others (p&lt;0.05). Conclusion. Finally, it was concluded that epidural bupivacaine - morphine application is more advantageous in postoperative analgesic efficacy and improvement of gastrointestinal functions