Implementation of magnetic field force in molecular dynamics algorithm: NAMD source code version 2.12.

The external fields, such as the magnetic force, have made advances in many industrial and biotechnology applications during the past century, although the changes in the structure of materials under the impact of the electromagnetic fields have not entirely been clear yet. The molecular simulation technique by providing extensive data from the configuration and orientations of the atoms is becoming the effective useful tool for scientists in a wide range of research areas. This paper presents an extended velocity Verlet algorithm inside the Nanoscale Molecular Dynamics (NAMD) package that enhances the NAMD features with the capability to compute the magnetic field force. We described how this novel feature has been implemented inside the package. Moreover, the results are reported for the rotation of a charged particle, and the thermo-physical properties of water in the presence of a magnetic field confirming how this developed NAMD source code provides accurate measurements compared with other available data.

Swelling Phenomena of the Nonswelling Clay Induced by CO2 and Water Cooperative Adsorption in Janus-Surface Micropores.

With the development of microscopy and sensor techniques, it becomes evident that nonswelling clays show swelling behavior under CO2-water mixture environments at high pressures and temperatures. The examples include Illite, muscovite, and kaolinite-rich rock samples. Here, we investigated the underlying mechanisms of kaolinite swelling induced by CO2 and water using molecular simulations and low-pressure gas adsorption experiments. The results suggest the cooperative adsorption behavior of CO2 and water on contact with kaolinite micropores, which have distinct wettabilities on the two adjoining interlayer surfaces. Even if clay-bound water exists, CO2 can enter the micropores to induce swelling. The measured micropore volume, simulated equilibrium stable interlayer distance with pure water, and that with CO2-water mixture were used in the swelling estimation, which shows good agreement with our experiments. The CO2 and water molecule distributions inside the interlayer micropores verify the importance of the wettabilities of the kaolinite surfaces in this cooperative adsorption behavior. The result extends the traditional understanding of the swelling mechanism, i.e., cation hydration and subsequent osmotic processes. In addition to earlier observations of kaolinite swelling behavior with potassium acetate, our study indicates the significance of the subtle balance of the noncovalent interactions between CO2, water, and the kaolinite Janus surfaces.

A phase II study of bendamustine plus rituximab in Japanese patients with relapsed or refractory indolent B-cell non-Hodgkin lymphoma and mantle cell lymphoma previously treated with rituximab: BRB study.

To evaluate the efficacy and safety of a combined regimen of bendamustine (B) and rituximab (R) in Japanese patients with relapsed/refractory (r/r) indolent B-cell non-Hodgkin lymphomas (B-NHLs) and mantle cell lymphoma (MCL). Patients aged 20-79 years with pathologically confirmed B-NHLs or MCL, which were r/r after 1-2 R-containing regimens, were included in this study. The BR regimen consisted of B (90 mg/m(2)) for two consecutive days and R (375 mg/m(2)) on day 1, 2, or 3. The course was repeated every 4 weeks for up to four cycles. Fifty-three patients were enrolled in this study and analyzed. The diagnosis included follicular lymphoma (FL) (77 %), mucosa-associated lymphoid tissue lymphoma (13 %) and others (10 %). Forty-seven (90 %) patients completed four cycles of treatment as per schedule. Best overall response rate (ORR) and complete response rate (CRR) was 94 and 71 %, respectively (for FL, ORR 95 % and CRR 80 %). The treatment was well tolerated and the primary toxicity was myelosuppression; the incidence of grade 3/4 leukopenia and neutropenia were 42 and 40 %, respectively. There were no grade 5 toxicities. The BR regimen is safe in Japanese patients with r/r indolent B-NHLs and MCL, and is effective for those with r/r indolent B-NHLs. For the evaluation of late toxicity, especially infection, longer follow-up of this cohort is needed.

A Case Report of Hepatocellular Carcinoma in a Non-cirrhotic Patient With Liver Iron Overload Associated With Myelodysplastic Syndrome.

Hereditary hemochromatosis (HH) is associated with an increased risk for hepatocellular carcinoma (HCC) occurring predominantly in patients with cirrhosis at the time of diagnosis. However, HCC in non-cirrhotic liver of patients with secondary hemochromatosis is rare. A 67-year-old man with a history of myelodysplastic syndrome (MDS) was found to have a liver tumor on abdominal computed tomography (CT). On the basis of findings of high levels of serum ferritin and transferrin saturation, and low intensity of liver parenchyma on magnetic resonance imaging (MRI), we made a diagnosis of hemochromatosis. Liver resection was performed and the specimen showed moderately differentiated hepatocellular carcinoma surrounded by non-cirrhotic liver parenchyma with intracellular iron deposition. Multicentric recurrence of liver tumor occurred 2 years after the surgery despite of deferoxamine therapy with well controlled ferritin level. We reported a case of hepatocellular carcinoma in a non-cirrhotic patient with liver iron overload secondary to MDS. It demonstrated the importance of early detection and initiation of treatment of iron overload in preventing HCC in MDS patients, even among Asian population.

Eosinophilic lung disease complicated by Kimura's disease: a case report and literature review.

Kimura's disease (KD) or eosinophilic lymphogranuloma is a rare chronic inflammatory disorder of unknown etiology that occurs primarily in Asians. A 51-year-old man diagnosed three years earlier with KD of a left neck nodule was admitted to our hospital with a productive cough and pulmonary infiltration. Bronchoscopy was performed, and a diagnosis of eosinophilic lung disease (ELD) was made. The patient's condition improved after receiving corticosteroid treatment. Complications such as nephrotic syndrome have been reported in patients with KD; however, ELD has not been previously described. To the best of our knowledge, this is the first report of ELD related to KD.

Dissolved organic compounds in reused process water for steam-assisted gravity drainage oil sands extraction.

The in situ oil sands production method called steam-assisted gravity drainage (SAGD) reuses process wastewater following treatment. However, the treatment and reuse processes concentrate contaminants in the process water. To determine the concentration and dynamics of inorganic and organic contaminants, makeup water and process water from six process steps were sampled at a facility employing the SAGD process in Alberta, Canada. In the groundwater used for the makeup water, the total dissolved organic carbon (DOC) content was 4 mg/L. This significantly increased to 508 mg/L in the produced water, followed by a gradual increase with successive steps in subsequent water treatments. The concentrations and dynamics of DOC constituents in the process water determined by gas chromatography-mass spectrometry showed that in the produced water, volatile organic compounds (VOCs) such as acetone (33.1 mg/L) and 2-butanone (13.4 mg/L) predominated, and there were significant amounts of phenolic compounds (total 9.8 mg/L) and organic acids including naphthenic acids (NAs) corresponding to the formula C(n)H(2n+Z)O(X) for combinations of n = 4 to 18, Z = 0 and -2, and X = 2 to 4 (53 mg/L) with trace amounts of polycyclic aromatic hydrocarbons (PAHs) such as naphthalene and phenanthrene. No organic contaminants, except for saturated fatty acids, were detected in the groundwater. The concentration of DOC in the recycled water was 4.4-fold higher than that in the produced water. Likewise, the total concentrations of phenols and organic acids in the recycled water were 1.7- and 4.5-fold higher than in the produced water, whereas the total concentrations of VOCs and PAHs in the recycled water were reduced by over 80%, suggesting that phenols and organic acids are selectively concentrated in the process water treatment. This comprehensive chemical analysis thus identified organic constituents that were concentrated in the process water and which interfere with subsequent water treatments in the SAGD process.

Gliomatosis cerebri mimicking chemotherapy-induced leukoencephalopathy in a patient with non-Hodgkin's lymphoma.

Patients with hematological malignancies may develop white matter lesions, which are usually associated with chemotherapy. Magnetic resonance imaging (MRI) is the imaging modality of choice for identifying chemotherapy-induced, or "toxic", leukoencephalopathy. Brain biopsy in patients with hematological malignancies suspected of sustaining toxic leukoencephalopathy has rarely been performed, because its characteristic MRI findings are considered pathognomotic. Biopsy may be indicated in atypical cases, however, and it may yield unexpected results. We describe a case with white matter lesions that developed in an elderly man treated for non-Hodgkin's lymphoma. The lesions, initially diagnosed with toxic leukoencephalopathy based on MRI findings, turned out to be gliomatosis cerebri.

[Long-term survival case of advanced gastric cancer with paraaortic lymph node metastasis and peritoneal metastasis from S-1/CDDP combination therapy after reductive operation].

A 72-year-old female patient with type 5 gastric cancer in the upper gastric region underwent surgery. Due to paraaortic lymph node metastasis (#16a1, #16a2) and peritoneal metastasis, total gastrectomy and D0 lymph node dissection were performed. Surgical and pathological findings were poorly differentiated adenocarcinoma, INFbeta, pT3(SE), PM (-), DM (-), ly0, v2, sN3 (#7, #9, #16a1-a2), M0, stage IV. The patient was administered S-1 for 2 weeks at 80 mg/day, received 24-hour continuous intravenous infusion of 80 mg/day on day 8, and then discontinued chemotherapy for 2 weeks, which was regarded as one course. After one course, CT scan showed that the paraaortic lymph node metastasis had almost entirely disappeared. However, due to grade 3 neutropenia, and grade 2 nausea and anorexia in the first course, the treatment was changed to oral administration of UFT (400 mg/day) , which was discontinued one month later due to anorexia. The patient has been in good health without a recurrence for 4 years after surgery. This case suggests that reduction surgery combined with a S-1 regimen is an effective treatment for long-term survival.

[MTX-HOPE (methotrexate, hydrocortisone, vincristine, sobuzoxane, and etoposide) as a low-dose salvage chemotherapy for recurrent or refractory non-Hodgkin's lymphoma].

We conducted a clinical study of MTX-HOPE (day 1, methotrexate 20 mg per os (po); day 2, hydrocortisone 100 mg intravenous (iv), vincristine 1 mg iv; day 3,4 sobuzoxane 400 mg po; etoposide 25 mg po, repeating every 2 or 3 weeks) in 14 relapsed or refractory patients with non-Hodgkin's lymphoma. Ten responders were obtained 5 CR and 5 PR), and heavily treated patients were included in the responders. The median duration of over all survival which was estimated with Kaplan-Meier curve was 11.1 months (range, 2-18+ months), and the median duration of response was 6.9 months (range, 0.8+ -16.4+ months). Out of the 14 patients,eleven were treated with this regimen in an outpatient setting. Grade 4 neutropenia and thrombocytopenia were observed in 4 and 2 patients,and grade 3 GPT-elevation and stomatitis in two and one, respectively. This newly developed MTX-HOPE therapy may be a promising treatment option for such patients as are intolerable for high-dose chemotherapies with PBSC rescue or wish for outpatient therapy.

Intra-specific composition and succession of Bifidobacterium longum in human feces.

Intra-species analysis of pulsed field gel electrophoresis (PFGE) on human fecal Bifidobacterium longum isolates revealed that a majority of 12 Japanese subjects harbored strains of unique PFGE types or subtypes over a 68-week period, suggesting that "indigenous"Bifidobacterium strains remain stable for a considerable time in each individual intestinal microbiota.