Эффективность метода ПЦР-РВ для этиологической диагностики атипичных форм коклюша

The aim of the study was to evaluate the effectiveness of the PCR-RТ method using the PCR-RТ-IS test system for the etiological diagnosis of whooping cough in the examination of patients with infectious respiratory pathology with prolonged cough and in contact persons. 113 children aged from 1 month to 17 years, 11 months and 29 days, and 146 contact family members were examined. Regardless of the initial diagnosis, all children were examined for whooping cough by bacteriological, molecular genetic and serological methods. For molecular genetic diagnostics a commercial kit and PCR-RT-IS test-system developed at the Gamaleya Research Center were used. The contact persons were examined by the bacteriological method and using the PCR-RT-IS test-system. During the initial examination the diagnoses «Acute respiratory viral infectious», «Acute rhinopharyngitis», «Acute laryngotracheitis», «Acute bronchitis», «Pneumonia» were established. The severity of cough in contact persons was different – from a typical spastic «whooping cough» to complete absence of cough. By using the PCR-RT-IS test-system we developed, the DNA of pertussis pathogen was detected in groups of patients with «Acute rhinopharyngitis» in 34.4% of cases, «Acute laryngotracheitis» – in 64.3%, «Acute bronchitis» – in 69%, with a diagnosis of «Pneumonia» – in 33.3% of cases. In a number of cases combined course of whooping cough with respiratory infections (respiratory syncytial virus, rhinovirus and others) was detected. In the examined contact persons the causative agent of pertussis was detected using the PCR-RT-IS test-system in 51,4% of cases.Цель: оценить эффективность применения метода ПЦР-РВ с использованием тест-системы ПЦР-РВ-IS для этиологической диагностики коклюша при обследовании больных с инфекционной респираторной патологией с затяжным и длительным кашлем и у контактных с ними лиц.Материалы и методы. Обследовано 113 детей в возрасте от 1 месяца до 17 лет 11 месяцев и 29 дней и 146 контактных с ними членов семей. Независимо от первичного диагноза все дети обследованы на коклюш бактериологическим, молекулярно-генетическим и серологическим методами. Для молекулярно-генетической диагностики использовали коммерческий набор и тест-систему ПЦР-РВ-IS, разработанную в ФНИЦЭМ им. Н.Ф. Гамалеи. Контактные лица обследованы бактериологическим методом и с помощью тест-системы ПЦР-РВ-IS.Результаты. При первичном осмотре установлены диагнозы «ОРВИ, острый ринофарингит», «Острый ларинготрахеит», «Острый бронхит», «Пневмония». Степень выраженности кашля у контактных лиц была различной – от типичного спастического «коклюшного» кашля до полного отсутствия кашля. С помощью разработанной нами тест-системы ПЦР-РВ-IS ДНК возбудителя коклюша выявлена в группах пациентов с «ОРВИ, острым ринофарингитом» в 34,4% случаев, «Острым ларинготрахеитом» – в 64,3%, «Острым бронхитом» – в 69%, с диагнозом «Пневмония» – в 33,3% случаев. В ряде случаев было выявлено сочетанное течение коклюша с респираторными инфекциями (респираторно-синцитиальной, риновирусной и другими). У обследованных контактных лиц возбудитель коклюша с помощью тест-системы ПЦР-РВ-IS выявлен в 51,4% случаев

Prospective comparative study of intraoperative balloon electronic brachytherapy versus resection with multidisciplinary adjuvant therapy for recurrent glioblastoma

Background: Intraoperative balloon electronic brachytherapy (IBEB) may provide potential benefit for local control of recurrent cerebral glioblastomas (GBMs). Methods: This is a preliminary report of an open-label, prospective, comparative cohort study conducted in two neurosurgical centers with ongoing follow-up. At recurrence, patients at one center (n = 15) underwent re-resection with IBEB while, at the second center (n = 15), control subjects underwent re-resection with various accepted second-line adjuvant chemoradiotherapy options. A comparative analysis of overall survival (OS) and local progression-free survival (LPFS) following re-resection was performed. Exploratory subgroup analysis based on postoperative residual contrast-enhanced volume status was also done. Results: In the IBEB group, median LPFS after re-resection was significantly longer than in the control group (8.0 vs. 6.0 months; log rank x2 = 4.93, P = 0.026, P < 0.05). In addition, the median OS after second resection in the IBEB group was also significantly longer than in the control group (11.0 vs. 8.0 months; log rank x2 = 4.23, P = 0.04, P < 0.05). Conclusion: These hypothesis-generating results from a small cohort of subjects suggest putative clinical benefit in OS and LPFS associated with maximal safe re-resection of recurrent GBM with IBEB versus re-resection and standard adjuvant therapy, a hypothesis that deserves further testing in an appropriately powered clinical trial. © 2021 Scientific Scholar. All rights reserved

Properties of benzene confined between two Au(111) surfaces using a combined Density Functional Theory and classical Molecular Dynamics approach

The study of the effect of confinement on the structural and dynamical properties of fluids is an intense research field. Here we present results about benzene confined between gold Au(111) surfaces, from a hierarchical dualscale simulation methodology. The adsorption energies and structures of a single benzene molecule on the Au(111) surface were calculated using density functional theory with van der Waals forces. The results were used to develop an accurate classical all-atom force field for the interaction between benzene and the Au(111) surface, capable of predicting various adsorption sites and molecule orientations. Molecular dynamics simulations were used to study benzene films, of various thicknesses, between two parallel gold surfaces. Density, conformations, and dynamics of confined benzene are studied and compared to bulk properties

GolP-CHARMM : first-principles based force fields for the interaction of proteins with Au(111) and Au(100)

Computational simulation of peptide adsorption at the aqueous gold interface is key to advancing the development of many applications based on gold nanoparticles, ranging from nanomedical devices to smart biomimetic materials. Here, we present a force field, GolP-CHARMM, designed to capture peptide adsorption at both the aqueous Au(111) and Au(100) interfaces. The force field, compatible with the bio-organic force field CHARMM, is parametrized using a combination of experimental and first-principles data. Like its predecessor, GolP (Iori, F.; et al. J. Comput. Chem.2009, 30, 1465), this force field contains terms to describe the dynamic polarization of gold atoms, chemisorbing species, and the interaction between sp2 hybridized carbon atoms and gold. A systematic study of small molecule adsorption at both surfaces using the vdW-DF functional (Dion, M.; et al. Phys. Rev. Lett.2004, 92, 246401–1. Thonhauser, T.; et al. Phys. Rev. B2007, 76, 125112) is carried out to fit and test force field parameters and also, for the first time, gives unique insights into facet selectivity of gold binding in vacuo. Energetic and spatial trends observed in our DFT calculations are reproduced by the force field under the same conditions. Finally, we use the new force field to calculate adsorption energies, under aqueous conditions, for a representative set of amino acids. These data are found to agree with experimental findings