Pancreatico-renal fistula associated with pancreatic cysts caused by type 1 autoimmune pancreatitis.

To our best knowledge, the formation of a pancreatico-renal fistula and the presence of pancreatic fluid collection in the renal subcapsular space have not been reported as autoimmune pancreatitis (AIP) complications. We describe a case of a pancreatico-renal fistula associated with type 1 AIP. The patient presented with abdominal and back pain accompanied by pancreatic cystic lesions during an untreated course of AIP. The diagnosis of pancreatico-renal fistula was based on the presence of a left renal subcapsular fluid collection containing pancreatic amylase, disappearance of pancreatic cysts, and a defect in the partial anterior renal fascia observed on imaging studies. Treatment with steroids and percutaneous drainage resulted in improvement. Pancreatic pseudocysts can affect other organs owing to their digestive action. Similar symptoms may occur in patients with AIP.

Towards universal neural network potential for material discovery applicable to arbitrary combination of 45 elements.

Computational material discovery is under intense study owing to its ability to explore the vast space of chemical systems. Neural network potentials (NNPs) have been shown to be particularly effective in conducting atomistic simulations for such purposes. However, existing NNPs are generally designed for narrow target materials, making them unsuitable for broader applications in material discovery. Here we report a development of universal NNP called PreFerred Potential (PFP), which is able to handle any combination of 45 elements. Particular emphasis is placed on the datasets, which include a diverse set of virtual structures used to attain the universality. We demonstrated the applicability of PFP in selected domains: lithium diffusion in LiFeSO4F, molecular adsorption in metal-organic frameworks, an order-disorder transition of Cu-Au alloys, and material discovery for a Fischer-Tropsch catalyst. They showcase the power of PFP, and this technology provides a highly useful tool for material discovery.

Theoretical study of correlations between the coordination structures and catalytic activities in polymer-stabilized au nanocluster catalysts.

Au nanoclusters (Au NCs) stabilized by poly(N-vinyl-2-pyrrolidone) and poly(allylamine), abbreviated to Au:PVP and Au:PAA, catalyze the aerobic oxidation of p-hydroxybenzyl alcohols, but the catalytic activity of Au:PVP is much higher than that of Au:PAA. To elucidate the correlations between the catalytic activities and coordination structures of the stabilizing polymer, the substrate accessibility on Au NCs was estimated by density functional theory (DFT) and molecular dynamics (MD) calculations. For MD simulations, we applied a systematic method to optimize the temperature parameters in temperature replica exchange molecular dynamics (T-REMD), and the coordination structures were comprehensively classified by multivariate analysis. The results show that the number of open active sites on the Au NCs is a good index for predicting the catalytic activities. © 2018 Wiley Periodicals, Inc.

Persistence and partitioning of eight selected pharmaceuticals in the aquatic environment: laboratory photolysis, biodegradation, and sorption experiments.

We selected eight pharmaceuticals with relatively high potential ecological risk and high consumption-namely, acetaminophen, atenolol, carbamazepine, ibuprofen, ifenprodil, indomethacin, mefenamic acid, and propranolol-and conducted laboratory experiments to examine the persistence and partitioning of these compounds in the aquatic environment. In the results of batch sunlight photolysis experiments, three out of eight pharmaceuticals-propranolol, indomethacin, and ifenprodil-were relatively easily photodegraded (i.e., half-life<24h), whereas the other five pharmaceuticals were relatively stable against sunlight. The results of batch biodegradation experiments using river water suggested relatively slow biodegradation (i.e., half-life>24h) for all eight pharmaceuticals, but the rate constant was dependent on sampling site and time. Batch sorption experiments were also conducted to determine the sorption coefficients to river sediments and a model soil sample. The determined coefficients (K(d) values) were much higher for three amines (atenolol, ifenprodil, and propranolol) than for neutral compounds or carboxylic acids; the K(d) values of the amines were comparable to those of a four-ring polycyclic aromatic hydrocarbon (PAH) pyrene. The coefficients were also higher for sediment/soil with higher organic content, and the organic carbon-based sorption coefficient (logK(oc)) showed a poor linear correlation with the octanol-water distribution coefficient (logD(ow)) at neutral pH. These results suggest other sorption mechanisms-such as electrochemical affinity, in addition to hydrophobic interaction-play an important role in sorption to sediment/soil at neutral pH.

Pseudocyst of the scalp.

We describe 4 cases of pseudocyst of the scalp, which still is only being described in the Japanese literature. The tumor is characterized as follows: localized between the top and the forehead area of the scalp, it first appears as a solitary reddish, painful small nodule or papule; it then gradually increases in size, protruding into a dome-shaped mass, and becomes associated with alopecia limited to the lesion area. This report describes typical cases of pseudocyst of the scalp, reviews the reported Japanese cases and introduces this tumor to western dermatology.

Fate and partitioning of selected pharmaceuticals in aquatic environment.

Two nonsteroidal anti-inflammatory drugs (NSAIDs), ibuprofen and acetaminophen, a beta-blocker atenolol, and an antidepressant fluoxetine were selected, and their sorption coefficients (Koc values) on the basis of dissolved organic matter (DOM) and model sediments were determined. The highest values were found for fluoxetine for both DOM and sediments, followed by atenolol or ibuprofen. These Koc values were comparable to those of pyrene and 17beta-estradiol, a nonpolar four-ring polycyclic aromatic hydrocarbon and a polar natural estrogen, respectively. For these four pharmaceuticals, partition coefficients between synthetic membrane vesicles (liposomes) and water (Klipw values), and removal efficiencies for a simple batch activated sludge treatment were also determined. The highest Klipw values were again found for fluoxetine followed by atenolol. The removal efficiency for a 6-hour batch activated sludge treatment was over 90% for the two NSAIDs whereas that for atenolol was as low as 10%; both agreed with the results obtained in conventional studies, which showed the concentration in the influent and effluent of sewage treatment plants. The removal efficiency for fluoxetine was also over 90%, but it was sorbed by sludge and not biodegraded.