Nuclear Quantum Effects in Water and Aqueous Systems: Experiment, Theory, and Current Challenges

Nuclear quantum effects influence the structure and dynamics of hydrogen-bonded systems, such as water, which impacts their observed properties with widely varying magnitudes. This review highlights the recent significant developments in the experiment, theory, and simulation of nuclear quantum effects in water. Novel experimental techniques, such as deep inelastic neutron scattering, now provide a detailed view of the role of nuclear quantum effects in water's properties. These have been combined with theoretical developments such as the introduction of the principle of competing quantum effects that allows the subtle interplay of water's quantum effects and their manifestation in experimental observables to be explained. We discuss how this principle has recently been used to explain the apparent dichotomy in water's isotope effects, which can range from very large to almost nonexistent depending on the property and conditions. We then review the latest major developments in simulation algorithms and theory that have enabled the efficient inclusion of nuclear quantum effects in molecular simulations, permitting their combination with on-the-fly evaluation of the potential energy surface using electronic structure theory. Finally, we identify current challenges and future opportunities in this area of research

SURGICAL TREATMENT OF PRIMARY MALIGNANT TUMORS OF THE TRACHEA

The authors have performed 18 circular resections of the trachea (CRT) for adenocystic cancer and typical carcinoid. In 10 of these patients more than 5 cm of the tracheal segment were ablated. Postoperative radiotherapy was made on 8 patients with adenocystic cancer with lengthy CRT. Immediate and long-term results were good that allowed the authors to recommend a single-stage circular resection of the trachea in treatment of high differentiated forms of cancer

VISUAL EVOKED POTENTIALS OF SICK INFANTS WITH EPILEPSY

Summary: 39 patients aged from 3 months to 3 years have been examined. The first group consisted of 19 sick infants with symptomatic epilepsy, the second – 10 infants with motor defect without epilepsy, the third – 10 healthy infants. The maximum delay of latency (37,4 ± 30 мс) of component Р100 of the visual evoked potentials and consequently more expressed disturbances of carrying out of impulses on visual ways, are taped in group sick of a symptomatic epilepsy of early age. The given changes had statistically significant differences (P <0,001) with those at children without a pathology of nervous system. At patients with impellent disturbances delay of latency and decrease of amplitude have been less expressed, than at patients with a symptomatic epilepsy, but differences of indicators of amplitude were doubtful. 32% of patients with symptomatic epilepsy have been diagnosed to have сortical visual impairments with disturbance of behavioural visual reactions, 67 ± 14,2 ms accurate delay of latency, 4,6 ± 3,0 mcv decrease of amplitude of the main visual evoked potentials component P100 and optic nerve hypoplasia. Delay of latency and decrease of amplitude of the main visual evoked potentials component are criterions’ of severity of sick infants’ symptomatic epilepsy course

Effects of longJterm lisinopril therapy on central and peripheral hemodynamics in patients with dilated cardiomyopathy

The study was aimed at investigating the effects of a second?generation ACE inhibitor, lisinopril (Diroton), on central and peripheral hemodynamics in patients with dilated cardiomyopathy (DCMP). In total, 39 persons with DCMP and chronic heart failure (CHF), aged 35–55 years, were examined. Diroton dose was titrated from low (2,5 mg/d) to high (10 mg/d). The treatment lasted for 12 months. Longterm Diroton therapy, as a part of complex pharmaceutical treatment, was associated with significant improvement in total and regional hemodynamics in DCMP patients: left ventricular ejection fraction increased, dilated myocardium volumes and sizes reduced, together with reduction in temporal rheography parameters and increase in velocity ones. Diroton therapy also improved clinical course of CHF and circadian blood pressure profile