Chemistry / Kimya

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  • Article
    Citation - WoS: 2
    Citation - Scopus: 2
    Gas Phase Fragmentation Behavior of Proline in Macrocyclic B7 Ions
    (American Chemical Society, 2023) Taşoğlu, Çağdaş; Arslanoğlu, Alper; Yalçın, Talat
    Thefragmentation characteristics of b (7) ionsproduced from proline-containing heptapeptides have been studiedin detail. The study has utilized the following C-terminally amidatedmodel peptides: PA(6), APA(5), A(2)PA(4), A(3)PA(3), A(4)PA(2), A(5)PA, A(6)P, PYAGFLV, PAGFLVY, PGFLVYA, PFLVYAG,PLVYAGF, PVYAGFL, YPAGFLV, YAPGFLV, YAGPFLV, YAGFPLV, YAGFLPV, YAGFLVP,PYAFLVG, PVLFYAG, A(2)PXA(3), and A(2)XPA(3) (where X = C, D, F, G, L, V, and Y, respectively). The resultshave shown that b (7) ions undergo head-to-tailcyclization and form a macrocyclic structure. Under the collision-induceddissociation (CID) condition, it generates nondirect sequence ionsregardless of the position of the proline and the neighboring aminoacid residues. This study highlights the unusual and unique fragmentationbehavior of proline-containing heptapeptides. Following the head-to-tailcyclization, the ring opens up and places the proline residue in theN-terminal position while forming a regular oxazolone form of b (2) ions for all peptide series. Then, the fragmentationreaction pathway is followed by the elimination of proline with itsC-terminal neighbor residue as an oxazolone (e.g., PXoxa) for all proline-containing peptide series.
  • Article
    Citation - WoS: 7
    Citation - Scopus: 6
    Visceral Leishmaniasis Caused by Leishmania Tropica
    (Springer, 2023) Özbilgin, Ahmet; Tunalı, Varol; Çavuş, İbrahim; Vardarlı Tetik, Aslı; Dinç, Melike; Yalçın, Talat; Gündüz, Cumhur; Beyaz, Merve; Köse, Şükran
    PurposeIn Turkey, the main causative agent of visceral leishmaniasis (VL) is Leishmania. infantum and the main causative agent of cutaneous leishmaniasis (CL) is Leishmania tropica. In this study, we aimed to discuss the possible mechanisms, clinical aspects, and threat of visceralizing L. tropica.MethodsThis study includes seven cases of VL caused by L. tropica.Five patients were male (71%) and four were adults (57%).ResultsAll the VL patients complained of fever and splenomegaly. Fatigue, pancytopenia, and hepatomegaly were present in six patients each (86%), while weight loss and gastrointestinal system (GIS) symptoms were present in 5 patients (71%).ConclusionsIn this study, we have evaluated seven cases of visceralized L. tropica (VLT) in the context of the changing leishmaniasis epidemiology in Turkey. We have evaluated the possible mechanisms of visceralization; inter- and intraspecies genetic exchange with all the old world leishmaniasis agents present in the region, stress induced by inappropriate use of drugs, and possible ongoing adaptation mechanisms of Leishmania spp. The threat posed by VLT is significant as L. tropica is the most widespread and most common cause of leishmaniasis in Turkey. We do not know the vectorial capacity of the sand flies for the transmission of VLT strains or if these strains are in circulation in Turkey. Future studies should be carried out to investigate these issues as the transition of L. tropica from a mild disease-causing agent to a mortal one poses a significant public health concern for Turkey and Europe.
  • Article
    Citation - WoS: 2
    Citation - Scopus: 2
    Tuning the Solid Phase Fluorescence Emission From Long Wavelength Visible To Near-Infrared in Oxazol-5 Derivatives: Structure–property Relationship, Theoretical and Experimental Studies
    (Springer, 2023) Nazlı, İbrahim Hanif; Yakalı, Gül; Topkaya, Derya; İzmirli, Merve; Uzun, Sema Demirci; Alp, Serap
    Most of the fluorescent molecules among organic π-conjugated materials show blue or green emission in the solid phase but few of them emit red-shifted visible and near-infrared light in the material science. To create molecules emitting for this feature, two π-conjugated oxazol-5-one derivatives containing donor (OCH3) and acceptor groups (NO2) were synthesized. Their optical and charge-transport properties were investigated through experimental and theoretical methods including the single crystal X-ray crystallography, Hirshfeld Surface Analysis, photophysical studies and Density Functional Theory (DFT), respectively. In addition, FT-IR, 1H-NMR, 13C-NMR spectroscopy, cyclic voltammetry (CV) measurements were performed. According to our results, both molecules may provide the significant pathway of development of long wavelength visible and red emissive features in solid phase with the aggregation induced enhanced emission (AIEE) properties particularly in the fields of OLEDs, optical communication, defence and bioimaging.
  • Article
    Citation - WoS: 3
    Citation - Scopus: 3
    Structural and Functional Analyses of Gh51 Alpha-L of Geobacillus Vulcani Gs90 Reveal Crucial Residues for Catalytic Activity and Thermostability
    (Wiley, 2022) Sürmeli, Yusuf; Şanlı Mohamed, Gülşah
    Alpha-L-arabinofuranosidase (Abf) is of big interest in various industrial areas. Directed evolution is a powerful strategy to identify significant residues underlying Abf properties. Here, six active variants from GH51 Abf of Geobacillus vulcani GS90 (GvAbf) by directed evolution were overproduced, extracted, and analyzed at biochemical and structural levels. According to the activity and thermostability results, the most-active and the least-active variants were found as GvAbf51 and GvAbf52, respectively. GvAbf63 variant was more active than parent GvAbf by 20% and less active than GvAbf51. Also, the highest thermostability belonged to GvAbf52 with 80% residual activity after 1 h. Comparative sequence and structure analyses revealed that GvAbf51 possessed L307S displacement. Thus, this study suggested that L307 residue may be critical for GvAbf activity. GvAbf63 had H30D, Q90H, and L307S displacements, and H30 was covalently bound to E29 catalytic residue. Thus, H30D may decrease the positive effect of L307S on GvAbf63 activity, preventing E29 action. Besides, GvAbf52 possessed S215N, L307S, H473P, and G476C substitutions and S215 was close to E175 (acid–base residue). S215N may partially disrupt E175 action. Overall effect of all substitutions in GvAbf52 may result in the formation of the C–C bond between C171 and C213 by becoming closer to each other.
  • Article
    Citation - WoS: 6
    Citation - Scopus: 5
    Charmm Force Field Generation for a Cationic Thiophene Oligomer With Fftk
    (Springer, 2021) Kıbrıs, Erman; Nalıncı Barbak, Nehir; Elmacı Irmak, Nuran
    In the present work, CHARMM force field parameters are generated for a cationic oligomer of N, N, N-trimethyl-3-(4-methylthiophen-3-yl) oxy) propan-1-aminium) which has the potential for sensing biological molecules such as nucleic acids, nucleobases. We have used ffTK (force field tool kit) to obtain potential parameters. MD simulations are performed for 20-mer and its complexes with AMP and ATP. The simulation results are analyzed to see the number of phosphates in adenosine nucleotides effects on the structure of the backbone of oligomer. The UV-VIS calculations for the conformers which possess the most probable radius of gyration are carried out and compared to the experimental ones to validate the generated force field. Recent studies have shown that, biologically important anions (ATP, AMP, vb.) change the spectroscopic properties of cationic polythiophenes (CPT) in the solutions. This work aims to generate CHARMM compatible force field parameters for a CPT to explain experimental studies. The type of interactions will be investigated deeply to lead new biosensor studies by examining the formation and the structure of complexes that consist of a oligothiophene and biological molecules, ATP, AMP by molecular dynamic simulations.
  • Letter
    Prof. Dr. O. Yavuz Ataman
    (TÜBİTAK, 2021) Eroğlu, Ahmet Emin
    Prof. Dr. O. Yavuz Ataman passed away on August 15, 2020, in Ankara. He was an academic as well as a social figure throughout his life. He had remarkable achievements in academy as a researcher, an educator, and an administrator. He was known for his unique approaches to the events in all aspects of life. With his beloved character, he was really special. With Prof. Ataman's passing away, the chemistry and especially analytical chemistry community have lost a very special member.
  • Article
    Citation - WoS: 1
    Citation - Scopus: 1
    Fabrication and in Vitro Evaluation of Thermally Cross-Linked Gelatin Nanofibers for Drug Delivery Applications
    (Taylor & Francis, 2022) Mete, Derya; Göktaş, Gözde; Şanlı Mohamed, Gülşah
    In this study, four different nanofibers consisting of gelatin (Gel), doxorubicin (DOX) with gel (DOX@Gel), a composite of gel with poly(ethylene glycol) (PEGylated-gel), and DOX@PEGylated-gel were fabricated. Subsequently, the nanofibers were thermally cross-linked in order to offer a stable and biocompatible alternative for the biological applications of nanofibers such as drug delivery and tissue engineering. Nanofibers were characterized by scanning electron microscopy, Fourier Transform-Infrared Spectroscopy (FT-IR), and confocal microscopy. The formation of smooth, continuous, and uniform nanofibers was observed and the addition of PEG resulted in an increase whereas the incorporation of DOX into nanofibers had no significant change in the diameter of nanofibers. Crosslinking also enlarged the diameter of all nanofibers and the most dramatic increase was observed 53% by DOX@PEGylated-gel. Afterward, the biological performance of the nanofibers was investigated by drug release profile, cytotoxicity on A549 cell line as well as antimicrobial activity with E. coli and S. aureus. The results indicate an enhanced drug release profile, moderate antimicrobial activity, and reasonable cytotoxic efficiency for thermally cross-linked nanofibers compared to uncross-linked nanofibers.
  • Article
    Gas-Phase Fragmentation Reactions of A7 Ions Containing a Glutamine Residue
    (Wiley-Blackwell, 2021) Atik, Ahmet; Arslanoğlu, Alper; Yalçın, Talat; Atik, Ahmet; Arslanoğlu, Alper; Yalçın, Talat
    The gas-phase fragmentation reactions of the a7 ions derived from glutamine (Q) containing model heptapeptides have been studied in detail with low-energy collision-induced dissociation (CID) tandem mass spectrometry (MS/MS). Specifically, the positional effect of the Q residue has been investigated on the fragmentation reactions of a7 ions. The study involves two sets of permuted isomers of the Q containing model heptapeptides. The first set contains the QAAAAAA sequence, and the second set involves of QYAGFLV sequence, where the position of the Q residue is changed from N- to C-terminal gradually for both peptide series. An intense loss of ammonia from the a7 ions followed by internal amino acid eliminations strongly supports forming the imine-amides structure via cyclization/rearrangement reaction for all studied a7 ions. This is in agreement with the pioneering study reported by Bythell et al. (2010, 10.1021/ja101556g). A novel rearrangement reaction is detected upon fragmentation of imine-amide structure, which yields a protonated C-terminal amidated hexapeptide excluding the Q residue. A possible fragmentation mechanism was proposed to form the protonated C-terminal amidated hexapeptide, assisted via nucleophilic attack of the side chain amide nitrogen of the Q residue on its N-protonated imine carbon atom of the rearranged imine-amide structure. Highlights: The gas-phase fragmentation reactions of a7 ions obtained from protonated model peptides containing glutamine residue were studied by ESI-MS/MS. A rearranged imine-amide structure is the predominant even for a7 ions. Novel rearrangement reaction is observed which forms a protonated C-terminal amidated hexapeptide excluding Q residue upon fragmentation of the imine-amide structure.
  • Article
    Citation - WoS: 2
    Citation - Scopus: 2
    Palladium-Catalysed Regio- and Stereoselective Arylative Substitution of Gamma,delta-Epoxy Esters and Amides by Sodium Tetraaryl Borates
    (Royal Society of Chemistry, 2020) Bilgi, Yasemin; Kuş, Melih; Artok, Levent
    Palladium-catalysed reactions of gamma,delta-epoxy-alpha,beta-unsaturated esters and amides with NaBAr(4)reagents proceeded regio- and stereoselectively, producing allylic homoallyl alcohols with aryl-substituents in the allylic position for a wide range of substrates. AsPh(3)was found to be a competent ligand for the arylation reaction, whereas phosphine ligand/Lewis acidic organoboron combinations favoured the substitution reaction by oxygen nucleophiles (e.g.H2O, ROH).
  • Editorial
    Citation - WoS: 8
    Citation - Scopus: 9
    Kras(g12c) Inhibitors on the Horizon
    (Future Science, 2019) Çağır, Ali; Azmi, Asfar S.
    RAS proteins (the four isoforms KRAS4A, KRAS4B, NRAS and HRAS encoded by three genes KRAS, NRAS and HRAS) act as molecular switches that when activated drive several key cellular processes such as cell growth, proliferation and survival [1]. In normal cells, RAS activity is under tight control by the precise activation (binding to GTP) and inactivation (GTP hydrolysis to GDP) [1]. As with other critical proteins, it is not at all surprising to note that the gene encoding the RAS protein isoforms is found mutated or altered in a significant proportion of tumors [2]. Mutant RAS loses its ability to hydrolyze GTP and remains in a permanently activated state (bound to GTP) leading to uncontrolled growth.