Puckering Free Energy of Pyranoses: an NMR and Metadynamics--Umbrella Sampling Investigation

We present the results of a combined metadynamics--umbrella sampling investigation of the puckered conformers of pyranoses described using the gromos 45a4 force field. The free energy landscape of Cremer--Pople puckering coordinates has been calculated for the whole series of alpha and beta aldohexoses, showing that the current force field parameters fail in reproducing proper puckering free energy differences between chair conformers. We suggest a modification to the gromos 45a4 parameter set which improves considerably the agreement of simulation results with theoretical and experimental estimates of puckering free energies. We also report on the experimental measurement of altrose conformers populations by means of NMR spectroscopy, which show good agreement with the predictions of current theoretical models

Survey of the Moths (Lepidoptera) Inhabiting the Funk Bottoms Wildlife Area, Wayne and Ashland Counties, Ohio

Author Institution: Department of Entomology, Ohio Agricultural Research and Development Center, The Ohio State UniversityIn 1995, the Funk Bottoms Wildlife Area was the subject of an ongoing series of insect surveys intended to establish benchmark information on arthropod diversity of wetlands in northeast Ohio. This article concentrates on the moths which were collected at ultraviolet light traps within the Funk Bottoms Wildlife Area. A companion report will follow focusing on the Coleoptera along with several orders of aquatic insects. 3252 specimens were identified to 306 species in 19 families. These species are classified as follows: Abundant = 34; Locally Abundant = 1; Common = 257; Locally Common = 2; Uncommon = 10; Rare = 1; and Special Interest = 1

Effect of minimal enteral feeding on recovery in a methotrexate-induced gastrointestinal mucositis rat model

Patients suffering from gastrointestinal mucositis often receive parenteral nutrition as nutritional support. However, the absence of enteral nutrition might not be beneficial for the intestine. We aimed to determine the feasibility of minimal enteral feeding (MEF) administration in a methotrexate (MTX)-induced mucositis rat model and thereby determine the effect of MEF on recovery. Male Wistar rats were attached to swivel systems from day 1 to 5 after 45 mg/kg MTX IV injection. The MTX group continued ad libitum feeding, and the MTX + MEF group continued ad libitum feeding and received from day 1 to 5 continuously MEF. MEF consisted of 20 % of their normal caloric intake. We measured body weight, intake, and plasma citrulline. At day 10, the rats were terminated and villus and crypt length were measured. The administration of MEF caused no increased severity of mucositis phenotype, with comparable caloric intake, body weight, and plasma citrulline during mucositis. The recovery of plasma citrulline levels was not different between both groups. At day 7 and 8, the MTX + MEF group gained significantly more weight (p <0.05 and p <0.01, respectively), and at day 8 and 9 the total caloric intake was significantly increased (p <0.01 and p <0.05, respectively) compared to the MTX group. At day 10, the rats from the MTX + MEF group showed a significant increase in jejunal villus length compared to the MTX group (p <0.05). This is the first study in which the feasibility of MEF administration during chemotherapy-induced mucositis was determined. This study indicates that MEF administration is feasible during mucositis and suggests that MEF accelerates recovery after MTX-induced mucositis

A two-species continuum model for aeolian sand transport

Starting from the physics on the grain scale, we develop a simple continuum description of aeolian sand transport. Beyond popular mean-field models, but without sacrificing their computational efficiency, it accounts for both dominant grain populations, hopping (or "saltating") and creeping (or "reptating") grains. The predicted stationary sand transport rate is in excellent agreement with wind tunnel experiments simulating wind conditions ranging from the onset of saltation to storms. Our closed set of equations thus provides an analytically tractable, numerically precise, and computationally efficient starting point for applications addressing a wealth of phenomena from dune formation to dust emission.Comment: 23 pages, 9 figure

Improved extraction of hydrologic information from geophysical data through coupled hydrogeophysical inversion

There is increasing interest in the use of multiple measurement types, including indirect (geophysical) methods, to constrain hydrologic interpretations. To date, most examples integrating geophysical measurements in hydrology have followed a three-step, uncoupled inverse approach. This approach begins with independent geophysical inversion to infer the spatial and/or temporal distribution of a geophysical property (e.g. electrical conductivity). The geophysical property is then converted to a hydrologic property (e.g. water content) through a petrophysical relation. The inferred hydrologic property is then used either independently or together with direct hydrologic observations to constrain a hydrologic inversion. We present an alternative approach, coupled inversion, which relies on direct coupling of hydrologic models and geophysical models during inversion. We compare the abilities of coupled and uncoupled inversion using a synthetic example where surface-based electrical conductivity surveys are used to monitor one-dimensional infiltration and redistribution

Nanoscale temperature measurements using non-equilibrium Brownian dynamics of a levitated nanosphere

Einstein realised that the fluctuations of a Brownian particle can be used to ascertain properties of its environment. A large number of experiments have since exploited the Brownian motion of colloidal particles for studies of dissipative processes, providing insight into soft matter physics, and leading to applications from energy harvesting to medical imaging. Here we use optically levitated nanospheres that are heated to investigate the non-equilibrium properties of the gas surrounding them. Analysing the sphere's Brownian motion allows us to determine the temperature of the centre-of-mass motion of the sphere, its surface temperature and the heated gas temperature in two spatial dimensions. We observe asymmetric heating of the sphere and gas, with temperatures reaching the melting point of the material. This method offers new opportunities for accurate temperature measurements with spatial resolution on the nanoscale, and a new means for testing non-equilibrium thermodynamicsComment: 5 pages, 4 figures, supplementary material available upon reques

Feeding strategies in pediatric cancer patients with gastrointestinal mucositis:A multicenter prospective observational study and international survey

Introduction: Currently, there is no adequate prevention or treatment for both oral and gastrointestinal mucositis induced by chemotherapy and/or radiotherapy. Supportive care of symptoms plays a primary role during mucositis in the pediatric clinical setting. We aimed to get insight in the currently used feeding strategies in clinical practice in pediatric cancer patients with chemotherapy-induced mucositis. Methods: A prospective observational study was performed to identify feeding strategies after chemotherapy courses causing mucositis in almost all patients at the University Medical Center Groningen (UMCG), the Academic Medical Center Amsterdam (AMC), and the Princess Maxima Center Utrecht (PMC). Consecutive patients, aged 0-18 years, either diagnosed with B cell non-Hodgkin lymphoma (B-NHL) or scheduled for autologous stem cell transplantation (SCT) between April 2015 and September 2016 were included in this study. In addition to the observational study in the Netherlands, an international online questionnaire was conducted for pediatric oncology centers. Results: A total of 13 patients were included, after 21 chemotherapy courses. No nutritional support was administered after 23.8% courses, tube feeding after 19.0% of the courses, TPN in 19.0% of courses, and 38.1% received a combination of tube feeding and TPN. The international survey revealed that 63.2% of the centers administered tube feeding as first choice, 31.6% administered only TPN as first choice, and one center administered a combination as first choice. Conclusions: There is a variability in feeding strategies in the clinical practice both in the Netherlands as well as worldwide. This study is a basis for future studies in this important clinical field to develop clinical trials comparing tube feeding and TPN both in adult and pediatric patients

MYO5B, STX3, and STXBP2 mutations reveal a common disease mechanism that unifies a subset of congenital diarrheal disorders:A mutation update

Microvillus inclusion disease (MVID) is a rare but fatal autosomal recessive congenital diarrheal disorder caused by MYO5B mutations. In 2013, we launched an open-access registry for MVID patients and their MYO5B mutations (www.mvid-central.org). Since then, additional unique MYO5B mutations have been identified in MVID patients, but also in non-MVID patients. Animal models have been generated that formally prove the causality between MYO5B and MVID. Importantly, mutations in two other genes, STXBP2 and STX3, have since been associated with variants of MVID, shedding new light on the pathogenesis of this congenital diarrheal disorder. Here, we review these additional genes and their mutations. Furthermore, we discuss recent data from cell studies that indicate that the three genes are functionally linked and, therefore, may constitute a common disease mechanism that unifies a subset of phenotypically linked congenital diarrheal disorders. We present new data based on patient material to support this. To congregate existing and future information on MVID geno-/phenotypes, we have updated and expanded the MVID registry to include all currently known MVID-associated gene mutations, their demonstrated or predicted functional consequences, and associated clinical information.</p

Satellite images of warm core ring 82-B sea surface temperature and a chronological record of major physical events affecting ring structure

A chronology constructed from satellite-derived thermal imagery is presented to describe the formation and life history of warm-core ring 82-B. A comparison is made with warm-core ring 81-F in order to illustrate similarities that may be common to warm-core rings that traverse the region of the Slope Water occupied by 82-B. Particular attention is paid to discrete events identified from analysis of changes in the surface thermal field. Significant events include interactions between the ring and the Gulf Stream, warm (Gulf Stream) and cold (shelf) streamers and interaction with other vortices. The events are documented by following changes in ring size, shape, translation, and surface thermal structure. Observations determined from the infrared satellite imagery are supported by hydrography, acoustic velocity profiling and drifter trajectories.National Science Foundatio

Myosin Vb and Rab11a regulate phosphorylation of ezrin in enterocytes

Microvilli at the apical surface of enterocytes allow the efficient absorption of nutrients in the intestine. Ezrin activation by its phosphorylation at T567 is important for microvilli development, but how such ezrin phosphorylation is controlled is not well understood. We demonstrate that a subset of kinases that phosphorylate ezrin closely co-distributes with apical recycling endosome marker Rab11a in the subapical domain. Expression of dominant-negative Rab11a mutant or depletion of the Rab11a-binding motor protein myosin Vb prevents the subapical enrichment of Rab11a and these kinases and inhibits ezrin phosphorylation and microvilli development, without affecting the polarized distribution of ezrin itself. We observe a similar loss of the subapical enrichment of Rab11a and the kinases and reduced phosphorylation of ezrin in microvillus inclusion disease, which is associated with MYO5B mutations, intestinal microvilli atrophy and malabsorption. Thus, part of the machinery for ezrin activation depends on recycling endosomes controlled by myosin Vb and Rab11a which, we propose, might act as subapical signaling platforms that enterocytes use to regulate development of microvilli and maintain human intestinal function