Effect of Initial Configuration on DFT Calculations for Transition Metal Complexes

Computational methods, which solves the Schrödinger’s equation for molecules, have become an indispensable tool in last decades. And Density Functional Theory is one of the most used, and most effective computational method. Transition Metal complexes, on the other hand, have been being used extensively in many important applications in many fields, such as chemical catalysts, atomic thin films, and pharmaceutical industry. Applying computational methods to transition metal complexes has become inevitable to understand better, to control and to design these compounds. As it is known, it is very difficult to handle transition metals computationally, mostly due to near degeneracy in their electronic states. The computational algorithms usually cannot achieve as successive result as they can do for other typical elements, like carbon or nitrogen for instance. Computational methods are needed to be improved for properly deal with transition metal complexes. To find computationally cheaper but still effective methods to deal with these complexes is a major challenge. Unlike the analogue calculations, computational methods solve all equations iteratively, so there are major differences between these two calculation types. The starting point in state space (the assumed initial conformation of molecule) is could have a stronger effect then the expected, on the flow of the iterative solving algorithm of the computational approach. Here we present a comparative study for a Ruthenium complex. We have optimised the molecule several times. Each of the optimisations started from different initial molecular conformations. Then we have compared the result in different ways, like calculation times and minimum energy that had reached, to see effect of starting configurations on the calculation. It is showed that, starting configuration is an important parameter for computational calculations of transition metal complexes, and it is needed to be carefully chosen to improve success of calculations

Efficiency and Reliability of Laparoscopic Partial Nephrectomy for Renal Tumors Larger than 4 cm

Aim: To evaluate safety and efficiency of laparoscopic partial nephrectomy for renal tumors larger than 4 cm. Methods: We retrospectivelly evaluated the medical records of 65 patients who underwent laparascopic partial nephrectomy between May 2009 and June 2013 in our clinic. The patients were divided into two groups according to tumor size. Patients with a tumor 4 cm were included in group 1 (n=45) and group 2 (n=20), respectively. Demographic, perioperative and postoperative parameters were compared between the groups. Histopathological examination and surgical margin status were also evaluated. Results: The mean age of the patients was 59.2±10.9 (range: 26- 81) years. The mean tumor size and the mean RENAL nephrometry score were significantly higher in group 2 than in group 1. The mean operation time and warm ischemia time were similar between groups but estimated blood loss and transfusion requirement were significantly higher in group 2. Convertion to open surgery was seen two patients in group 2 and one patient in group 1. Only one patient underwent radical nephrectomy for uncontrolled bleeding in group 2. There was no difference in preoperative and 3-month postoperative serum creatinine levels between the groups. The incidence of positive surgical margin was 0% and 5% in group 1 and group 2, respectively. Conclusion: Laparoscopic partial nephrectomy for renal tumors is an effective and feasible procedure with acceptable oncologic results. However, tranfusion rate and requiremet of pelvicaliceal system repair were more common in patients with tumor >4 cm. (The Medical Bulletin of Haseki 2015; 53:30-5

Robotic Surgery: Technological Developments and the Position in Urological Surgery

In this study, we discuss the place of robotic surgery in urology in the light of the current technological developments. Within the past 15 years, unprecedented advances have been experienced in robotic surgery. Urology has been played an active role in these developments. Owing to innovations of robotic surgery, some technical limitations of conventional laparoscopy have been overcome. Especially, some technical limitations of conventional laparoscopic surgery requiring reconstruction and operational challenges have significantly been solved. Despite these superior advantages, high cost of the method is the most important disadvantage. In the literature, the cost-effectiveness is the main point of discussions about robotic surgery. In the future, if the cost problem is resolved, robotic surgery will be the gold standard of treatment for the operations, such as partial nephrectomy, pyeloplasty, radical prostatectomy and radical cystectomy, which require more complex reconstruction

The Outcomes of Laparoscopic Radical Prostatectomy

Aim: In this study, we analyzed the surgical data and indications of patients, who underwent laparoscopic radical prostatectomy (LRP) with the Heilbronn technique, according to the techniques and observed complications. Methods: Between November 2006 and September 2008, 61 patients with prostate cancer underwent LRP at Haseki Training and Research Hospital, Department of Urology. The analyzed preoperative factors were mean age, body-mass index, PSA value, prostate volume measured by transrectal ultrasonography, Gleason score, and hemoglobin levels. Mean operation time, urethrovesical anastomosis time, requirement of blood transfusion and complications were investigated. The postoperative factors such as duration of hospitalization and catheterization were also analyzed. Results: The mean operating time was 257.1±64.6 (190-460) and the mean urethrovesical anastomosis time was 47.6±12.1 (29-90) minutes. Pelvic lymphadenectomy and nerve sparing surgery were performed in 62% and 32% of the patients, respectively. Blood transfusion was needed in 36% of patients in perioperative or postoperative period. The mean hospitalization time was 4.4±1.3 days. The mean urethral catheterization time was 9.3±2.9 (5-17) days. Conclusion: The data of our series, which is one of the first large series of LRP in our country, show that LRP will evolve as an important surgical procedure in our country in the future. The advance in surgical training programs and skills should have an important role to make it a commonly used technique. (The Medical Bulletin of Haseki 2010; 48: 28-33

Human cadaveric uro-oncology (HCU) surgical anatomy course: an “old” but contemporary training method

Abstract:Purpose: We evaluated post-course trainees’ satisfaction regarding to learning objectives, hands-on experience and increase overall knowledge of surgical oncological anatomy at the end of each theoretical and handson module with one year survey after the course. Materials and Methods: A total of 25 residents with their last year of residency were participants of this course.The course was given by faculty members of the Urology and Anatomy departments from various universities in our country.The procedures were defined by recommendations of the Turkish Board of Urology Training Program. At the end of each module evaluation of the course by the attendees included anatomy knowledge and surgical skills and were graded 1 to 4.A year telephone survey follow-up was conducted regarding progression report on their practices after the HCU course was given. At one year, the trainees were called to evaluate the efficacy of course (yes/no).Results: All participants completed the survey and 1 year follow-up evaluation after a year post-course demonstrated that the course improved their knowledge of surgical oncological oncology. The first day of the course, the mean satisfaction score was 3.37 and hands-on lab score was 3.55. In the second day, the mean satisfaction score of 3.22 and hands-on lab score was 3.45. Surgical anatomy lectures of radical prostatectomy, radical nephrectomy, radical cystectomy, pelvic lymph node dissection and demonstrational surgeries in cadaver sessions had higher scores than remaining subjects. Conclusion: Uro-oncologic surgical models using human cadavers are a feasible and effective method to learn the anatomical landmarks and surgical technique by in-training urologists