Elucidating chemical reactivity in complex molecular assemblies of a few hundred atoms is, despite the remarkable progress in quantum chemistry, still a major challenge. Black-box search methods to find intermediates and transition-state structures might fail in such situations because of the high-dimensionality of the potential energy surface. Here, we propose the concept of interactive chemic...

abstract cisplatin was the first of the platinum drugs. second-generation platinum derivative was carboplatin that its efficacy in the treatment of many malignancies is equal to cisplatin, and its toxicity profile is more favorable. here we report on a 50-year-old woman with a history of cervix cancer who developed a severe hypersensitivity reaction (hsr) to carboplatin. she was admitted to the...

the present work reports the detailed b3lyp/6-311++g(d,p) study of most stable transand cisconfigurations photoisomerization in the core system of computational photochemistry-the 5,5'-disubstituted-1,1'-azobis (tetrazole) molecules. all computations were carried out in gas phase attemperature 293.15 k and pressure 1 atm. firstly; the potential energy surface (pes) of the groundstate ...

angiotensin-converting enzyme (ace) inhibitors appear to correct many of the abnormalities associated with the vascular dysfunction found in diabetic patients. in this respect, quinapril is a unique ace inhibitor with multiple protective effects. the present study was carried out to investigate the effect of intraperitoneal administration of quinapril on the aortic reactivity of streptozotocin ...

the relationship between mycoplasma pneumoniae (mp) infection and asthma has rarely been explored through examination of airway reactivity. the aim of this study was to determine airway reactivity changes after mp infection in children. first, 106 children were divided into four groups according to the existence of mp infection and/or asthma. then children with only mp belonged to the mp group;...

Enzyme immunoassays (EIAs) for detection of serum antibodies to simian virus 40 (SV40), BK virus (BKV), and JC virus (JCV) were developed by using virus-like-particles (VLPs) produced in insect cells from recombinant baculoviruses expressing the VP1 protein of the respective virus. Rhesus macaque sera with neutralizing antibodies to SV40 showed a high level of reactivity in the SV40 VLP-based E...

INTRODUCTION This article studies the relationship between emotional reactivity and coping style on the one hand and intensity of symptoms of trauma in adult patients with cancer on the other hand. MATERIAL AND METHODS The study was conducted on 150 patients, 55 women and 95 men, hospitalized for diagnosed cancer. Temperament was assessed with the Formal Characteristics of Behaviour - Tempera...

BACKGROUND Schizophrenia patients exhibit impairment in prepulse inhibition (PPI) of the acoustic startle response (ASR), which is commonly interpreted as a sensorimotor gating deficit. To date, it is unclear when these gating deficits arise. Results of animal studies and some human data suggest that PPI deficits are in part genetically determined, such that gating deficits could be present bef...