Linearly scaling computation of ddPCM solvation energy and forces using the fast multipole method.

This paper proposes the first linear scaling implementation for the domain decomposition approach of the polarizable continuum model (ddPCM) for the computation of the solvation energy and forces. The ddPCM-equation consists of a (non-local) integral equation on the van der Waals or solvent accessible surface of the solute's cavity resulting in a dense solution matrix, and, in turn, one matrix-vector multiplication has a quadratic arithmetic complexity with respect to the number of atoms of the solute molecule. The use of spherical harmonics as basis functions makes it natural to employ the fast multipole method (FMM) in order to provide an asymptotically linear scaling method. In this paper, we employ the FMM in a non-uniform manner with a clusterization based on a recursive inertial bisection. We present some numerical tests illustrating the accuracy and scaling of our implementation.

[Surgical treatment of patients with gastrointestinal stromal tumor of the stomach]. / Operativnoe lechenie bol'nykh s gastrointestinal'noi stromal'noi opukhol'yu zheludka (s kommentariem).

AIM: to evaluate objectively the effectiveness of currently used diagnostic and curative approaches to gastrointestinal stromal tumors (GIST). MATERIAL AND METHODS: Early and remote results of treatment of 49 patients with gastric GISTs were presented. Herewith in 20 (40.8%) patients the disease was complicated by gastrointestinal bleeding. 43 (87.7%) of 49 patients with gastric GIST were operated. Conventional surgery was performed in 24 (55.8%) cases, laparoscopic interventions - in 12 (28%) cases, endoscopic endoluminal - in 7 (16.2%). 6 (14.2%) patients were not operated. RESULTS: Intraoperative complications were observed in 2 (4.65%) patients. In postoperative period complications occurred also in 2 (4.65%) patients. In long-term postoperative period tumoral process progression was observed in 3 (8.3%) patients. Recurrence was diagnosed in 2 (5.6%) patients.

[Combination of endoscopic methods in diagnostics and surgical treatment of perforative duodenal ulcer].

AIM: To present the results of perforative duodenal ulcer surgical management using combination of endoscopic methods. MATERIAL AND METHODS: The study included 279 patients with perforative duodenal ulcer who were operated for the period from 1996 to 2012. Diagnostics and medical tactics were based on developed in our clinic algorithm that includes use of both esophagogastroduodenoscopy and laparoscopy. CONCLUSION: Presented technique confirmed correct diagnosis, defined medical tactics and choice of surgery in 100% of cases. 67 patients had contraindications for laparoscopic suturing and underwent conventional operations. Herewith postoperative complications and death were observed in 25 (37.3%) and 9 (13.4%) patients respectively. Laparoscopic suturing was performed in 212 patients. Complications were diagnosed in 19 (8.9%) cases including 8 (3.7%) intraoperative and 11 (5.2%) postoperative. Deaths were absent.

Universal indirect enzyme-linked immunosorbent assay for monitoring of human and animal brucellosis in Kazakhstan.

Combinations of conventional serological methods and new ELISA procedures were evaluated to develop the most efficient and effective diagnostics for the detection of brucellosis in humans and animals. Sera from humans (n=249) and animals (n=99) were collected from brucellosis endemic areas (Zhambyl district and Enbekshi-Kazakh district of Almaty region in Kazakhstan) for serologic analysis. Sera from the humans reacted positively in the RBT (38.5%), SAT (43.3%), iELISA (42.5%) while sera from the animals reacted positively in RBT (79.8%), SAT (89.9%), CF (87.8%), iELISA (100%). Greater seropositivity was detected in animals as compared to human samples. All positive sera were also evaluated on an indirect ELISA (iELISA). Bacterial isolation was attempted on seropositive human sera. Our data indicate that the combination of conventional serological tests (SAT and CF), combined with the iELISA is optimal for the processing of large numbers of samples and the most efficient detection of human and animal brucellosis.

[Validation of a method for monitoring of genetically engineered human insulin manufacture].

A method for monitoring the manufacture of genetically engineered human insulin by HPLC was developed. The method was validated by the estimation of its linearity, correctness, accuracy, specificity, and stability; the limits of detection and quantitative assessment were also determined. It was proven that HPLC analysis enables reliable and reproducible results to be obtained and can be used for monitoring insulin manufacture.

[Endoscopic treatment of bleeding due to Mallory-Weiss syndrome]. / Endoskopicheskoe lechenie krovotechenii, obuslovlennykh sindromom Mellori-Veissa.

Experience in diagnosis and treatment of 276 patients with Mallory--Weiss syndrome (MWS) is presented. Definition of the syndrome and brief historical review (from first description of disruption of esophageal-gastric connection to first report of successful hemostasis through endoscope) are given. Particular attention is devoted to etiology and pathogenesis of this syndrome. Clinical material and picture of disease, results of endoscopic diagnosis are analyzed, efficacy of endoscopic hemostasis and prophylaxis of hemorrhage is demonstrated. Indications to various methods of endoscopic hemostasis are regarded, results of treatment and lethal outcomes are analyzed. It is demonstrated that endoscopic procedures are the method of choice in the treatment of this disease reducing emergency surgery rate to 0.4%.

[Surgical treatment of ulcerous pyloroduodenal stenosis]. / Khirurgicheskoe lechenie iazvennogo piloroduodenal'nogo stenoza.

From 1990 to 2001 531 patients underwent surgery for ulcerous pyloroduodenal stenosis, from 1990 to 1995 312 operations were performed with lethality 0.9%, from 1996 to 2001--312 surgeries with one lethal outcome (0.4%). Surgical policy is based on a differential approach to choice of surgical method with consideration of stage of stenosis and level of gastric secretion, and also surgical risk. Organ-saving operations including laparoscopic vagotomy were performed in forming and compensated stenosis. At late stages (sub- and decompensated stenosis) resections (chiefly with vagotomy) were performed. In long-term period excellent and good results were achieved in 91.4% patients.

[Surgical treatment of perforated and bleeding gastroduodenal ulcers]. / Khirurgicheskoe lechenie probodnykh i krovotochashchikh gastroduodenal'nykh iazv.

Twelve-year experience of surgical treatment of gastroduodenal ulcers complicated by perforation and bleeding is analyzed. Modern antisecretion and antihelicobacter drugs have changed conception of pathogenesis and treatment of ulcers. Choice of surgical method is the key moment of surgical policy. Perforation and bleeding in ulcer disease are life-threatening complications especially in elderly patients with concomitant diseases. In these patients technical simplicity and tolerance to surgery are very important.

Structural changes in abdominal aorta and vena cava inferior after experimental microwave destruction.

We studied morphological changes in rat abdominal aorta and vena cava inferior induced by endovascular microwave destruction. This treatment induced thrombosis and necrosis of the vascular walls, but fibrous framework was not completely destroyed. Then we observed irreversible changes in vessels: obliteration, atrophy of the aorta walls, and sclerosis of venous walls. The preserved fibrous framework of the vessel walls probably plays a role of a framework for the formation of fibrous tissue.

[Results of pre- and postoperative treatment of complicated duodenal ulcers with proton pump inhibitors ]. / Rezul'taty lecheniia ingibitorami protonnoi pompy oslozhnennykh duodenal'nykh iazv do i posle operativnykh vmeshatel'stv.

Benefit of monotherapy of duodenal ulcers by lanzap in 36 patients was compared to that of combined therapy including panitidin in 26 patients. Lanzap brought about ulcer healing within 7-10 days in 55.6%, within 14-16 days ulcer scarring was observed in 35 patients (97.2%). Ulcer healing progressed depending on ulcer size. Combined treatment with ranitidine promoted ulcer scarring in 14-16 days in 73% patients. Lanzap monotherapy in preoperative period promoted fast healing of ulcer defect anf provided optimal conditions for surgery.

[Morphological characteristics of aneurysmal bone cysts in children]. / Morfologicheskie osobennosti anevrizmal'nykh kostnykh kist u detei.

The morphology of aneurysmal bone cysts (ABC) in 10 children was studied by light and scanning electron microscopy. Angiodysplasia signs and disorder of bone remodeling occur in ABC areas leading to secondary hemodynamic disorders and abnormal bone remodeling with predominance of resorption in dynamics of remodeling.

Morphological changes in the liver after microwave destruction.

We studied morphological changes in the liver after local MW-destruction. Microwave radiation damaged vascular walls with the formation of extensive necrotic focus; demarcation zone appeared 24 h after exposure, encapsulation occurred after 7 days, and replacement with a fine cicatrix formed by mature connective tissue after 4 months.

[Treatment of gastroduodenal ulcer hemorrhages]. / Lechenie iazvennykh gastroduodenal'nykh krovotechenii.

The results of treatment of 901 patients with acute ulcerogenic gastroduodenal bleedings in 1986 to 1997 are analysed. The tactics of the treatment, developed in the clinic, combines active diagnostic and curative measures with differentiated determination of the indications for urgent operative treatment. Improvements of the method for urgent operative treatment, wide implementation of the organ-saving and mini-invasive surgical procedures, usage of new methods for nonoperative (endoscopical) hemostasis, as well as an improvement of the complex for intensive and anti-ulcerogenic therapy enabled in the last group of patients (1994-1997 years) to decrease the postoperative lethality up to 5.9%, and general lethality--to 6.4%.

[Characteristics of elastin from the wall of human large arteries during treatment with formaldehyde]. / Kharakteristika élastina stenki krupnykh arterii cheloveka pri obrabotke formal'degidom.

Biochemical studies of elastin from human large arteries wall were carried out using both native and treated with formaldehyde protein. No differences were observed in sensitivity of native and formaldehyde treated elastin to the effect of various proteases and to alkaline-alcohol hydrolysis. Fractions obtained after enzymatic and alkaline hydrolysis were similar in their composition.

[Changes in the serum biochemical indicators in healthy blood donors during cytapheresis]. / Vurkhu promenite na niakoi biokhimichni pokazateli v serumi na zdravi dariteli pri tsitofereza.

In the serum of 33 healthy donors to whom 72 cytophereses (31 thrombo-, 25 leuko- and 16 leukothrombocytophereses) were performed by a cell separator "Haemonetix 30" the following indices were followed up by SMA before and after the cytophereses: total protein, albumin, calcium, inorganic phosphorus, cholesterol, glucose, urea, uric acid, creatinine: total and conjugated bilirubin and alkaline phosphatase. Several of the donors were followed up dynamically. Immediately following the cytopheresis a transitory decrease of total protein, albumin, inorganic phosphorus and cholesterol was found. At the following cytopheresis of the same donor (the time interval between two cytophereses varied from 72 hours up to several months) the levels of the total protein, albumin, calcium, inorganic phosphorus and cholesterol had reached their normal values. The glucose level increased transitory though in the reference ranges.

Growth of human-human hybridomas in serum-free media enhances antibody secretion.

Human-human hybridomas derived from fusing lymph node lymphocytes with UC 729-6 were adapted to grow in commercially available serum-free medium and were compared with serum-supplemented [10% fetal bovine serum (FBS)] cultures. Over a 6-d period, no significant changes occurred in the growth of the cells in 10% FBS or serum-free medium. In cultures supplemented with 10% FBS more total proteins were secreted than in serum-free cultures. However, there was an enhanced secretion of three- to four-fold of both immunoreactive human IgG and IgM under serum-free conditions compared to serum-supplemented conditions. Serum-free conditions may provide the appropriate milieu for the increased level of Ig secretion from human hybridomas derived from UC 729-6 in that there are no inhibitors that may be present in serum.

The generation of Ig-secreting UC 729-6 derived human hybridomas by electrofusion.

UC 729-6, a 6-thioguanine resistant human lymphoblastoid B cell line, was fused with human lymphocytes by electrofusion. Resulting human-human hybridomas were tetraploid, expressed markers derived from both fusion parents, and secreted approximately 1 microgram Ig/10(6) cells/ml/day. Cells to be used for electrofusion were washed in 0.3M mannitol, and fusions were performed with glass slides, 1.0 ml, and 50.0 ml chambers. Fusion sequences consisted of alignment, compression, and the fusion event itself. The optimal cell concentration for electrofusion was 5 X 10(6)/ml. Fusion efficiencies of human lymphocytes were ranked as follows: lymphoma cells greater than lymph node lymphocytes greater than PBL. 80% of the lymphoma hybridomas, 60% of the lymph node hybridomas, and 40% of the PBL hybridomas were Ig secretors. These data demonstrate that the UC 729-6 cell line is a suitable vector for generating human-human hybridomas by electrofusion.

[Functional criteria for the differentiation of leukemic cells. II. The fungicidal activity of the blast cells from patients with acute monoblastic leukemia]. / Funktsionalni kriterii za diferentsiatsiiata na levkozni kletki. II. Fungitsidna aktivnost na blastni kletki ot bolni s ostra monoblastna lekoza.

The studies in the present work are a continuation of the previous studies of the author's on the functional activity of leukosis cells and discuss their fungicidal activity versus Candida albicans. Blast cells from 22 patients with various clinical-morphological forms of acute leukosis were studied. It has been concluded from the results obtained that leukosis cells of monoblast type in acute myelomonoblast (M4) and monoblast (M5) leukosis are able to lyse Candida albicans, the value of their fungicidal activity being lower than that of mature monocytes from peripheral blood of healthy subjects. The fungicidal activity is observed in leukosis cells from patients with promyelocyte (M3) leukosis. The authors propose the fungicidal activity of leukosis cells to be used as an additional, functional criterium in the differentiation of their type.

[Changes in the plasma coagulation factors in patients subjected to plasmapheresis]. / Promeni na plazmenite faktori na susirane pri bolni, podlozheni na plazmafereza.

Eleven patients with immune-complex diseases were studied, that had been subjected to a total of 96 plasmaphereses during the day. The quantitative changes were followed up that developed in the active factors of coagulation after plasmapheresis. The results revealed that the plasma exchange, applied to the patients studied, induced the following changes: For factor I (fibrinogen)--mean = 2.39 +/- 1.19 g% (p greater than 0.005); for factor II (prothrombin)--mean = 55.5 +/- 20.9% (p less than 0.001); for factor V (proaccelerin)--mean = 97.6 +/- 13.8% (p greater than 0.01); for factor VII (proconvertin)--mean = 106.8 +/- 8.0% (p greater than 0.01); for factor VIII (AHG A)--mean = 64.5 +/- 22.7% (p less than 0.01); for factor IX (AHG B)--mean = 51.58 +/- 26.0% (p less than 0.001); for factor X--mean = 46.4 +/- 18.5% (p less than 0.001) and for factor XII--mean = 27.0 +/- 23.8% (p less than 0.001). That should be given consideration for the indications of the patients and their pretreatment for plasmapheresis.