The kinetics and mechanism of the reaction of OH with furan have been theoretically studied. The potential energy surface for each possible pathway has been investigated by employing DFT, G3MP2, and CCSD methods. The potential energy surface consists of one hydrogen-bonded complex and two energized intermediates. Three different pathways are suggested to be possible for the title reaction. The most probable channel is the hydroxyl radical addition to the C(2) position on the furan ring to cause the ring-opening process. The two other pathways are hydrogen abstraction from one of the C(2) or C(3) position on furan and hydroxyl radical substitution at the C(2) or C(3) position on furan. Abstraction and substitution channels are minor paths at low temperature, but they become comparable with addition channels at high temperature. Addition and substitution reactions proceed via formation of two energized intermediates, Int(1) and Int(2). Multichannel RRKM-TST calculations have been carried out to calculate the individual and overall rate constants for addition and substitution reactions. Direct-dynamics canonical variational transition-state theory calculations with small curvature approximation for tunneling were carried out to study hydrogen abstraction pathways.

Background:Cancer is one of the chronic diseases, which increases the risk of depression. The main causes of depression among these patients are pain due to metastasis, limited social activities and disability. Objectives: The aim of this research was to determine the prevalence of depression and relevant factors in patients with cancer referred to Shiraz Nemazee hospital for chemotherapy and radiotherapy. Patients and Methods: This was a cross-sectional study on 260 patients with cancer. To diagnose depression, the Beck questionnaire was used. To analyze data, logistic regression was more appropriate than the univariate analysis, because it simultaneously considers the effects of each of the predictors. Results: The prevalence of depression was 47.4%. There was a statistically significant association between depression and income (P < 0.001), family history of depression (P = 0.001), satisfaction with her or his condition (P < 0.001), disease duration (P < 0.001) and education (P = 0.025). Logistic regression revealed that the main effective factors were disease duration more than five years (OR = 5.9, P = 0.013), lack of satisfaction with her or his condition (OR = 19.6, P < 0.001) and family history of depression (OR = 2.4, P = 0.049). Conclusions: Consultation sessions are necessary to reduce depression of patients with cancer. Since depression may reduce quality of life and reaction to treatment, curing depression may relatively reduce side effects of disease for patients to have less pain and problems.

BACKGROUND: Neonatal intensive care unit (NICU) is one of the accident-prone settings in the health-care system. There is a series of structural and process threats to the safety of infants hospitalized in this unit, which can be prevented by taking the right actions. For this purpose, developing standards based on current knowledge, available resources, and the context that provides care can determine patient injury prevention requirements. Likewise, it can be a source for national development and application of related guidelines and protocols. This study aims to develop patient safety standards in the NICUs of Iran. MATERIALS AND METHODS: This mixed-methods study will apply the exploration, preparation, implementation, and sustainment framework to develop patient safety standards. In each phase of this framework, a set of activities take place. Exploration is based on the world health organization model to develop standards. Determining the validity and applicability of standards will be done in Phase 2 (Preparation) and Phase 3 (Implementation), respectively. Since the long-term effects are not desired, the fourth phase (Sustainment) will not be considered. DISCUSSION: Patient safety standards from this study will contribute to efficient and effective, equitable, and high-quality health-care delivery. The application of them will further promote patient safety and the quality of medical care in Iranian NICUs.