Hakan Sezgin Sayiner

Bilateral parotitis in a patient under continuous positive airway pressure treatment

BACKGROUND AND OBJECTIVES Many conditions such as bacterial and viral infectious diseases, mechanical obstruction due to air and calculi and drugs can cause parotitis. We present a case of unusual bilateral parotitis in a patient under non-invasive continuous positive airway pressure (CPAP) therapy for chronic obstructive pulmonary disease exacerbation in intensive care unit. CASE REPORT A 36-year-old patient was admitted to intensive care unit with the diagnosis of chronic obstructive pulmonary disease exacerbation. Antibiotherapy, bronchodilator therapy and non-invasive positive pressure ventilation were applied as treatment regimen. Painless swellings developed on the 3rd day of admission on the right and a day after this on the left parotid glands. Amylase levels were increased and ultrasonographic evaluation revealed bilateral parotitis. No intervention was made and the therapy was continued. The patient was discharged on the 6th day with clinical improvement and regression of parotid swellings without any complications. CONCLUSIONS Parotitis may have occurred after retrograde air flow in the Stensen duct during CPAP application. After the exclusion of possible viral and bacteriological etiologies and possible drug reactions we can focus on this diagnosis.

Investigation of Structure-Activity Relationship Between Chemical Structure and CCR5 Anti HIV-1 Activity in a Class of 1-[N-(Methyl)-N- (Phenylsulfonyl)Amino]-2-(Phenyl)-4-[4-(Substituted)Piperidin-1-yl]Butane Derivatives: The Electronic-Topological Approach

The relationship between chemical structure and CCR5 anti HIV-1 activity was investigated in the series of 1-[N-(Methyl)-N-(phenylsulfonyl)amino]-2-(phenyl)-4-[4-(substituted) piperidin-1-yl]butanes derivatives including 114 molecules by using the Electron-Topological Method (ETM). In the frameworks of this approach, its input data were taken as the results of conformational and quantum-mechanical calculations. Conformational analysis and quantum-chemical calculations were carried out for each molecule. Then molecular fragments being specific for active molecules and non-active molecules were revealed by using ETM. The result of testing showed the high ability of ETM in predicting the activity and inactivity investigated series. In order to classify and to develop a model for those molecules, cluster and discriminant analyses are conducted. First, cluster analysis is implemented in order to classify similar molecules into the groups. Then, discriminant analysis is used to construct models including descriptors. By doing so, two obtained discriminant functions segregate those molecules into three different groups by using the descriptors called EHOMO, Dipole Moment and SEZPE.

Experimental and theoretical investigation of antioxidant activity and capacity of thiosemicarbazones based on isatin derivatives

GRAPHICAL ABSTRACT ABSTRACT The peroxidation of linoleic acid (LA) in the presence of copper (II) ions alone and with butylhydroxytoluene (BHT), gallic acid (GA), a BHT/GA pair, 5-methoxyisatin-3-(N-4-chlorophenyl) thiosemicarbazone (H25MI3ClPT), and 5-methoxyisatin-3-(N-phenyl) thiosemicarbazone (H25MI3PT) was investigated in aerated and incubated emulsions at 37°C and pH 7. Cu(II)-induced LA peroxidation followed pseudo-first-order kinetics with respect to the primary oxidation products (hydroperoxides), which were determined by the ferric thiocyanate (Fe(III)-SCN) method. It was observed that (H25MI3ClPT) and (H25MI3PT) showed antioxidant properties, but the percentage inhibition decreased as the concentration increased, contrary to the behavior of GA and BHT. In addition, they were investigated by the DPPH (1,1-diphenyl-2-picrylhydrazyl) radical scavenging method. The IC50 values were 69.60, 11.87, 88.71, 73.62, and 430.11 µM for the standard antioxidants BHT, GA, H25MI3ClPT, H25MI3PT, and bis(isatin-3-(4-iodophenyl)thiosemicarbazonato) zinc(II) (BI3ITZn), respectively. The bond dissociation enthalpy (BDE), adiabatic ionization potential (AIP), proton dissociation enthalpy (PDE), proton affinity (PA), electron transfer enthalpy (ETE), ΔHacidity, ΔGacidity descriptors and DPPH radical scavenging mechanisms of thiosemicarbazone were also determined with the B3LYP method. Furthermore, the energy values in the transition state form for the reactions of H25MI3PT and H25MI3ClPT with DPPH were calculated as 0.022278 and 0.021953 au, respectively.

The Quantum Chemical and QSAR Studies on Acinetobacter Baumannii Oxphos Inhibitors

BACKGROUND Acinetobacter is a Gram-negative, catalase-positive, oxidase-negative, non-motile, and no fermenting bacteria. OBJECTIVE In this study, some of the electronic and molecular properties, such as the highest occupied molecular orbital energy (EHOMO), lowest unoccupied molecular orbital energy (ELUMO), the energy gap between EHOMO and ELUMO, Mulliken atomic charges, bond lengths, of molecules having impact on antibacterial activity against A. baumannii were studied. In addition, calculations of some QSAR descriptors such as global hardness, softness, electronegativity, chemical potential, global electrophilicity, nucleofugality, electrofugality were performed. METHOD The descriptors having impact on antibacterial activity against A. baumannii have been investigated based on the usage of 29 compounds employing two statistical methods called Linear Regression and Artificial Neural Networks. RESULTS Artificial Neural Networks obtained accuracies in the range of 83-100% (for active/inactive classifications) and q2=0.63 for regression. CONCLUSION Three ANN models were built using various types of descriptors with publicly available structurally diverse data set. QSAR methodologies used Artificial Neural Networks. The predictive ability of the models was tested with cross-validation procedure, giving a q2=0.62 for regression model and overall accuracy 70-95 % for classification models.

Analysis of DNA protection, interaction and antimicrobial activity of isatin derivatives

Isatin, thiosemicarbazone and their derivatives have been widely used in biological applications such as antimicrobial, antiviral and anticancer therapies. Herein, eight isatin and thiosemicarbazone derivative compounds were re-synthesized and evaluated for DNA binding analysis including DNA protection studies using plasmid DNA (pUC19) and DNA interaction experiments using calf thymus DNA (CT-DNA). All compounds were also utilized in vitro assay to assess the antimicrobial activity of compounds against different pathogenic bacterial strains. All isatin and thiosemicarbazone derivative compounds exhibited DNA protection activity which ranged from 23.5 to 59.5%. Among them, I3-(N-2-MP)-TSC had the greatest DNA protective activity. For DNA binding analysis, all compounds had the same constant concentration (40 μM), which interacts with CT-DNA. It was also observed that DNA interactions gave a high intrinsic binding constant (Kb = 1.72 × 104 M-1-9.73 × 105 M-1). Besides, several derivatives of isatin thiosemicarbazone exhibited significant and selective antibacterial activity with low concentration. These compounds primarily affected Gram-positive bacteria, but were not effective against P. vulgaris and E. coli. The Gram-positive methicillin-resistant S. aureus ATCC 43300 (MRSA) was the most influenced strain by these compounds. It was found that methyphenyl group at isatin was essential for its antibacterial activity for MRSA.

The importance of culture-antibiogram and evaluation of the empirical antibiotic treatment in peritonitis due to perforated appendicitis acquired intra-abdominal infection

Prudent use of antibiotics gains more importance as increased antibiotic resistance along with a gradual recession in newly developed antibiotics is seen. It is aimed to show the importance of cultureantibiogram for detecting causative bacteria and antibiotic resistance profile for prudent antibiotic usage and empirical antibiotic coverage in pediatric and adult cases with peritonitis secondary to perforated appendicitis. This study includes a total of 58 patients who underwent surgery for perforated appendicitis and secondary peritonitis. Cultures-antibiogram obtained by suctioning of the peritoneal fluid or swabbing during the surgery of the patients having proliferation was evaluated. Out of total 35 pediatric cases, E. coli in 27 cases, E. coli and P. aeruginosa in 5 cases. In the 32 cases with E. coli cultured, antibiotic resistance was seen for Ampisilin-sulbactam (SAM) in 13 (36.1%) cases, ceftriaxone in 12 (33.3%) cases and Extended Spectrum Beta Lactamase (ESBL) in 10 (31.2%) cases. Out of total 23 adult cases, E. coli was cultured in 18 cases. Of the 18 cases with E. coli cultured, antibiotic resistance was seen for SAM in 10 (43.4%) cases, ceftriaxone in 9 (39.1%) cases and ESBL in 6 (33.3%) cases. It is believe that the evaluation of peritoneal culture results obtained during surgery will lead to a decrease in mortality and morbidity rates.

In-vitro comparison of tigecycline as an alternative to the classical therapy in brucellosis treatment

&NA; Brucellosis is an important zoonosis because of its difficult and prolonged treatment regimen; at the same time, it sometimes involves serious complications. The aim of the study was to determine the antibiotic susceptibility profiles of ciprofloxacin, clarithromycin, doxycycline, rifampicin, streptomycin, and tigecycline using the E-test method on brucellosis, and the distribution of Brucella species. Forty-four patients (24 men, 20 women) who were admitted to our laboratory between 2014 and 2016 and for whom Brucella bacteria were found to be grown in their blood cultures were included in the study. Blood samples from patients were incubated on BD Bactec Fx. Positive signaling samples were plated on sheep blood agar and eosin methylene blue agar media. The bacteria were then allowed to grow for 48 h in an incubator at 37 °C. Gram-negative cocobacillus as a result of Gram staining was identified with the Vitek 2 Compact instrument and the gram negative identification kit. Antibiotic susceptibility tests against ciprofloxacin, clarithromycin, doxycycline, rifampicin, streptomycin, and tigecycline were also evaluated. Twenty four (54.5%) of 44 patients were men, 20 (45.5%) were women and the mean age was 42.5. The youngest patient was 14 and the oldest patient was 86 years old. All of the isolated bacteria (100%) were detected as Brucella melitensis with the fully automated culture antibiogram device (Vitek 2 Compact, Biomerieux). In the evaluation realized by E-test method, the minimum and maximum minimum inhibitory concentration values for each antibiotic taken for study were obtained as follows: for ciprofloxacin, 0.125–0.50 &mgr;g/ml; for clarithromycin, 0.32–1 &mgr;g/ml; for doxycycline, 0.032–0.64 &mgr;g/ml; for rifampicin, 0.016–0.32 &mgr;g/ml; for streptomycin, 0.10–0.25 &mgr;g/ml; and for tigecycline, 0.125–0.38 &mgr;g/ml. B. melitensis was detected as the causative factor in the majority of cases of brucellosis in the world. Furthermore, according to the E-test method, lower minimum inhibitory concentration values for doxycycline, rifampicin, streptomycin, and tigecycline indicate that they are important antimicrobials in the treatment.

ETM and ANN study for polysubstituted 2H-pyran-2-ones.

The structure glutamate pyruvate transaminase (GPT), glutamate oxaloacetate transaminase (GOT), acid phosphatase (ACP), alkaline phosphatase (ALP) and glutamate dehydrogenase (GlDH) activity relationships of 2H-pyran-2- ones polysubstitutes being a new class of hepatoprotective agents have been investigated by means of the Electronic- Topological Method (ETM) and two Statistical Analysis. Molecular fragments specific for active compounds were calculated for 2H-pyran-2-ones polysubstitutes by applying the ETM. QSAR descriptors such as molecular weight, EHOMO, ELUMO, ΔE, chemical potential, softness, electrophilicity index, dipole moment, etc were calculated. In order to examine the relationship between independent and dependent variables, both Partial Least Squares Regression and ANNs are employed to determine the relationship since the data set consists of highly nonlinearity and multicolinearity. It is observed that ANN has surpassed both PLS2 and PLS1 in terms of better modeling and validation.

Quantum Chemical Calculations for some Isatin Thiosemicarbazones

Derivatives of isatin are reported to be present in mammalian tissues and body fluids (Casas et al., 1996; Agrawal & Sartorelli, 1978; Casas et al., 1994; Medvedev et al., 1998; Boon, 1997; Pandeya & Dimmock, 1993; Rodriguez-Arguelles et al., 1999; Casas et al., 2000) and possess antibacterial (Daisley & Shah, 1984), antifungal (Piscopo et al., 1987), and anti-HIV (Pandeya et al., 1998, 1999) activities. N-methylisatin--4’, 4’ – diethylthiosemicarbazone were also reported to have activity against the viruses such as cytomegalo and moloney leukemia viruses (Sherman et al., 1980; Ronen et al., 1987). With the help of combinatorial method, the cytotoxicity and antiviral activities of isaitin--thiosemicarbazones against the vaccine virus and cowpox virus-infected human cells were evaluated (Pirrung et al., 2005).