In these studies, it was calculated that the IgE memory B cells contributed to the majority of the IgE memory response. By contrast, studies of mice with monoclonal T cells and B cells [17•• and 19] have identified IgG1 memory B cells as the major source of IgE memory responses. In these Transmembrane Transproters inhibitor studies, however, IgE and IgG1 memory B cells were not purified and compared directly, and therefore it is possible that the contributions of IgE memory B cells were not fully accounted for due to their low frequency in the mixed cell populations that were

examined. Overall, the understanding of the sources of IgE memory is limited and remains controversial. Taken together, the studies in mice have delineated a pathway of IgE production and memory that results in primarily transient, short-lived IgE antibody responses and limited IgE memory (Figure 2). This model for IgE production and memory suggests that a significant proportion of IgE antibody is generated from ongoing naïve and/or memory B cell activation and differentiation into IgE-producing plasma cells and implies that IgE antibody levels could be significantly reduced by inhibiting new IgE production, such as by targeting the cytokines IL-4 and IL-13 to inhibit IgE class switch GSK1120212 in vitro recombination or by targeting IgE-switched B cells directly. In addition, this model also implies that a significant proportion of long-term IgE memory could

be eliminated by targeting IgE-switched memory B cells, although the IgG1 memory B cells that contribute to IgE memory would not be affected by this approach. Studies in mice and monkeys have shown that deficiency or neutralization of IL-4, IL-13, or the receptor IL-4Rα that is shared by both IL-4 and IL-13,

inhibits IgE production [24, 25, 26 and 27], but only a few studies have assessed the effect of neutralization of IL-4/IL-13 during an ongoing or established IgE response [28]. A study in a cynomolgus monkey model of IgE responses to Ascaris suum antigen showed that treatment with anti-IL-13 antibodies over an 8-week period that included an Ascaris challenge resulted in a reduction in Ascaris-specific IgE titers below pre-treatment levels, although no significant changes in total IgE levels were observed [ 25]. Multiple groups have directly targeted IgE-switched B cells using antibodies that bind PDK4 either specifically to the membrane IgE BCR or to both membrane and secreted IgE [12, 29, 30, 31, 32, 33, 34, 35, 36 and 37], with several groups demonstrating in vivo activity of these antibodies [ 12, 33, 34, 35, 36 and 37]. Early studies showed that polyclonal and monoclonal anti-mouse IgE antibodies could inhibit primary and memory IgE responses, but did not prevent the development of IgE memory [ 35 and 36]. More recently, an antibody specific for mouse membrane IgE, which could trigger apoptosis of IgE B cells in vitro, inhibited IgE production when administered to mice preventively, but not when administered during an ongoing IgE response [ 34].

001 m. But unlike sea ice, water roughness varies strongly with the wind speed; therefore, the Charnock formula z0 = α0u2/g is used, where α0 = 0.0123, u is the

wind speed and g is the acceleration due to gravity. As in the surface albedo scheme, when COSMO-CLM is coupled to NEMO, the grid-cell roughness length is the weighted average of sea icecovered and water-covered areas. We used the NEMO ocean model version 3.3 adapted to the North and Baltic Sea region. This model setup is described by Hordoir et al. (2013) in a technical report in 2013. The horizontal resolution is 2 minutes (about 3 km), Dabrafenib solubility dmso and the time step is 300 seconds. There are 56 depth levels of the ocean. The flux correction for the ocean surface was not applied in our experiments. The domain covers the Baltic Sea and a part of the North Sea with two open boundaries to the Atlantic Ocean; the western boundary lies in the English Channel and the northern boundary is the cross section between Scotland and Norway. Wnt antagonist The model domain of NEMO can be seen on Figure 6 (see p. 183). For the Baltic Sea, the fresh water inflow from the river basins plays a crucial role in the salinity budget. Meier & Kauker (2003) found that the accumulated fresh water inflow caused half of the decadal variability in the Baltic salinity. It is, therefore, very important to take the rivers into consideration when modelling Baltic Sea

salinity. In this paper, we use the daily time series from E-HYPE model outputs for the North and Baltic Seas (Lindström et al. 2010). The input for the E-HYPE model is the result from the atmospheric model RCA3 (Samuelsson et al. 2011) forced by ERA-Interim re-analysis data from the European Centre for Medium-Range Weather Forecasts (ECMWF) Mannose-binding protein-associated serine protease (Dee et al. 2011). The atmospheric and ocean models are coupled by the coupler OASIS3. The results from Meier & Kauker (2003) show that half the variability of salinity in the Baltic Sea is caused by fresh water inflow and the other half is related to the exchange of sea water between the North

and Baltic Seas through the Kattegat. This water exchange process is determined by the wind stress and the sea level pressure difference between the two seas. Therefore, when coupling the atmosphere to the ocean, we send the wind fluxes and the sea level pressure from COSMO-CLM to NEMO to get an appropriate inflow of water from the North Sea to the Baltic Sea. On the atmospheric side, the exchanged fields are the flux densities of water (Precipitation-Evaporation), momentum, solar radiation, non-solar energy and sea level pressure. On the ocean side, we send SST and the fraction of sea ice to COSMOCLM. This exchange process is done every 3 hours. The fields are gathered by OASIS3 and then interpolated to the other model’s grid. Apart from the coupled ocean area, COSMO-CLM takes the lower boundary from ERAInterim data for other sea surface areas.

“
“In the Guideline, “Modifications in endoscopic practice for the elderly,” which was published in the July issue of Gastrointestinal Endoscopy (Gastrointest Endosc 2013;78:1-7), the author list was presented incorrectly. The correct list appears below. Prepared by: ASGE STANDARDS OF PRACTICE COMMITTEE “
“In Apoptosis Compound Library the originally published ASGE Guideline (ASGE Standards of Practice Committee, Fisher DA, Shergill AK, Early DS, et al.

Role of endoscopy in the staging and management of colorectal cancer. Gastrointest Endosc 2013;78:8-12), the second Recommendation on page 11 is incorrect. It should state “We recommend EUS in the preoperative locoregional staging of rectal cancer to guide therapy.” The online version of this article has been replaced with the correct version.

“
“In the article, “Serrated lesions and hyperplastic Pifithrin-�� supplier (serrated) polyposis relationship with colorectal cancer: classification and surveillance recommendations,” by Orlowska (Gastrointest Endosc 2013;77:858-71), Figure 2 was presented incorrectly, Figure 3 contained an error, and Table 2 was incorrectly aligned. The corrected Figures and Table appear below. Figure 2.  Serrated lesions histological classification. A, Hyperplastic polyp comprising glands with serrations limited mostly to the upper one half of the crypts. Nonbranching narrow crypts at the bases are similar in diameter and shape to those of normal colon (Fig. 1A). B, C, Sessile serrated lesions. Serrated architecture at all

levels of the crypts with broadened and irregular shape of their bottom parts. The basal portions of the crypts are branched, horizontal, and appear flask or T shaped (C); they are lined with a mixture of mature and dystrophic goblet cells. D, Sessile serrated lesion with focal dysplasia composed of nondysplastic sessile serrated component in the central part and dysplastic epithelial component at the right and left margins of the lesion. E, F, Traditional serrated adenoma. Serrated architecture with dysplastic hypereosinophilic many cytoplasm and confluent nuclear stratification is visible. Premature tiny crypts (F) perpendicular to the longitudinal axis of the villi, called an ectopic crypt formation, are distinctive. G, H, Two examples of serrated lesions with focal dysplasia (mixed polyps). G, Nondysplastic hyperplastic upper left part and dysplastic component with morphology resembling traditional serrated adenoma on the right-hand side of the lesion. H, There are two dysplastic elements characteristic of traditional serrated adenoma on the lower right and conventional adenoma on the upper left. “
“In the article from the ASGE Standards of Practice Committee, “Endoscopic mucosal tissue sampling” (Gastrointest Endosc 2013;78:216-24), the references included in the notes of Table 2 are inaccurate and should be ignored.

03cm−c1.5,μ0+μ2ρsd2=0.02cm−c1.75, where d – grain diameter of the seabed soil. The value φ in (11) and (12) is the quasi-static angle of internal friction, while the angle ψ between the major principal stress and the horizontal axis (for simple shear flow) is equal to equation(14) ψ=π4−φ2. Alectinib cost In the calculations the following values are assumed:

equation(15) α0ρsgd=1,cm=0.53,c0=0.32,φ=24.4°. All of the parameters and constants used in the bedload model have remained unchanged since the model was tested by Kaczmarek & Ostrowski (2002). In the contact load layer, following Deigaard (1993), the sediment velocity and concentration are modelled using the equations below (with the vertical axis z directed upwards from the theoretical bed level): equation(16) 32αdwsdudz23s+cMcD+β2d2c2s+cM+l2dudz2=uf′2, equation(17) 3αdwsdudz23s+cMcD+β2d2dudzc+l2dudzdcdz=−wsc. The term uf′2(ωt)

is related to the ‘skin friction’, calculated by Fredsøe’s (1984) model for the ‘skin’ roughness k′e = 2.5d. In   equations(16) and (17)ws denotes the settling velocity of grains, s stands for the relative soil density (ρs/ρ), cM and cD are the added mass and drag coefficients, respectively, α and β are the coefficients introduced by Deigaard (1993), and l is the mixing length defined as l = κz (where κ is the von Karman constant). Assuming that the sediment velocity distribution in the contact load layer is logarithmic at a certain distance from the bed and that the roughness related Veliparib in vivo to this profile depends on the coefficient α, an iterative procedure was proposed by Kaczmarek & Ostrowski (1998) to find this Etofibrate coefficient. It is further assumed that the coefficients α and β in the contact load model are equal. Parameters cD and cM were selected during the testing of the model; they have remained unchanged since the publication of Kaczmarek & Ostrowski (2002). Their values,

together with some other important constants, are given in Table 1. The instantaneous sediment transport rates are computed from distributions of velocity and concentration in the bedload layer and in the contact load layer: equation(18) qb+c(t)=∫0δbu(z′,t)c(z′,t)dz′+∫ke′/30δcu(z,t)c(z,t)dz, where δb(ωt) is the bedload layer thickness and δc denotes the upper limit of the nearbed suspension (contact load layer thickness). The quantity δb results from the solution of (11) and (12), while the value of δc is the characteristic boundary layer thickness calculated on the basis of Fredsøe’s (1984) approach (see Kaczmarek & Ostrowski 2002). The net transport rate in the bedload and contact load layers is calculated as follows: equation(19) qb+qc=1T∫0Tqb+ctdt.

The North Atlantic oscillation and the Arctic oscillation are not very active large-scale phenomena in the

warm season (Parry et al., 2010 and Kingston et al., 2013). However, three different AO and NAO index course clusters were extracted from daily data in the 30-day periods prior to every drought event. Most of the development stages before dry periods appear to be linked with the negative NAO/AO phase. Almost all the dry periods studied have a precursor – an enhancing and eastwards propagating ridge with the possibility of blocking westerly flow over western Europe. Moreover, such blocking ridges prior to the most extreme drought events tend to develop over central Europe accompanied by deep upper troughs upstream and downstream from them. Crizotinib Only a few dry periods were initiated by a zonal flow slowly retreating to the north and later replaced by a upper level ridge. These conditions (third cluster) lead to a shortage of precipitation primarily in south-eastern Lithuania, whereas the first two clusters have the same effect in western and north-eastern Lithuania.The persisting phase of dry periods seems to be less dependent on anomalous atmospheric circulations. Only the

four longest dry periods were Ion Channel Ligand Library concentration associated with a persistent geopotential height anomaly centred over Scandinavia, while the others showed a wide range of available weather regime sequences: a surface anticyclone over Russia slowly retreating to the south-east, an upper level ridge over the Balkans,

Ukraine and Belarus, a stable upper level high over northern Russia, a cut-off-low over the Balkans and the Black Sea etc. However, all this list of available regimes does not mean their persistence in space and time, or their persistent influence in maintaining dry periods in Lithuania. Direct forcing on the dryness of circulation processes appears to take place only at the beginning of the persisting phase, while inertia plays an important role in the remainder of this phase, particularly because of Interleukin-3 receptor the slow recovery of soil moisture. This problem is beyond the scope of the present paper, however. “
“Sequences of certain weather patterns, rather than single events, cause different extreme environmental hazards in Europe like droughts in the case of anticyclones, or devastating wind-storms and floods in the case of extratropical cyclones. These hazards cause the largest economic losses and even loss of life. For the same reason, series or packages of extra-tropical cyclones force extreme storm surges in coastal seas.

The plants were grown in the field under normal conditions. Petals and anthers were sampled on the day

of flowering, and ovules and fibers were excised from developing flower buds or bolls on selected days post anthesis (DPA). Roots, stems, and leaves were collected from two-week-old seedlings. All tissues collected were quick-frozen in liquid nitrogen and stored at − 70 °C before use. G. hirsutum cultivar Jinmian 19, which exhibits high tolerance to abiotic Trichostatin A molecular weight stress, was used for the abiotic stress treatments. Salt and drought stress treatments were applied by immersing the seedlings in 200 mmol L− 1 NaCl and 20% PEG-6000, respectively. The leaves were harvested at appropriate times, quick-frozen in liquid nitrogen, and stored at − 70 °C before use. Gossypium barbadense cultivar Hai 7124, which exhibits Verticillium resistance, was used for fungal pathogen (V. dahliae) inoculation. The roots of Hai 7124 seedlings were dipped in V. dahliae strain VD8 conidial suspensions containing 107 spores mL− 1. The roots were harvested at the appropriate time, quick-frozen in liquid nitrogen, Angiogenesis inhibitor and stored at − 70 °C before use. Total RNA was isolated according to the method of Jiang

and Zhang [41]. To remove genomic DNA, the RNA samples were treated with DNase I. First-strand cDNA was synthesized based on reverse transcription of 2 μg RNA digested by DNase I using the reverse transcription polymerase reaction system (Promega, USA). For real-time PCR, gene-specific primers were designed based on the WRKY gene sequences using Primer 5.0 (http://www.premierbiosoft.com/). The amplified fragment length ranged from 75 bp to 200 bp, and the annealing temperature ranged from 58 °C to 60 °C. The cotton histone3 (AF024716) gene (forward primer and reverse primer sequences 5′-GAAGCCTCATCGATACCGTC-3′ and 5′-CTACCACTACCATCATGG-3′, respectively) was used as the reference gene [19]. The amplification reactions of the real-time PCR were performed using an ABI 7500 real-time Rucaparib cost PCR system. The amplification parameters were as follows: denaturation at 95 °C for 10 min, 40 cycles

of denaturation at 95 °C for 15 s, annealing at 58–60 °C for 15 s, and extension at 72 °C for 15 s. For the melting curve stage, the default settings were chosen. Three biological replicates, each with three technical replicates, were tested. The expression levels of the WRKY genes were calculated according to Livak and Schmittgen [42]. Based on bioinformatic analysis, gene-specific PCR primer pairs were individually designed for PCR-amplification of the WRKY genes based on the complete ORF cDNA sequences ( Table S1), and the transcripts from various tissues of G. hirsutum acc. TM-1 were used for amplification. Standard PCR analysis was performed using High-Fidelity ExTaq DNA Polymerase [TaKaRa Biotechnology (Dalian) Co., Ltd., China].

Smoothing functions were represented

by penalized β-splines (Eilers et al., 1996). Spatial KU-60019 clinical trial and temporal autocorrelation was explicitly modeled by including the cross-shelf bands as random effects and incorporating a first-order autoregressive correlation structure (Pinheiro and Bates, 2000). Normality was checked and ln-transformations were used to normalize photic depth, wave height and wave frequency. The data from July to September 2002 were excluded from the correlation analysis as the MODIS-Aqua data series started 01 July 2002 and hence represented an incomplete water year (starting 01 October). Modeling against a Gaussian distribution greatly reduced the computational effort and convergence issues compared to a Gamma distribution. The residuals from these GAMM (which thus reflect the photic depth signal after the extraction of wave, tidal and bathymetry signals) were then decomposed to derive both the inter-annual (2003–2012) and intra-annual trends (i.e., seasonal based on 365.25 day cyclicity) in photic

depth (Fig. 2). Seasonal decomposition applies a smoother (typically either a moving average or locally weighted regression smoother) through a time series to separate periodic fluctuations due to cyclical this website reoccurring influences and long-term trends (Kendall and Stuart, 1983). Such decomposition is represented mathematically as: equation(2) Yt=f(St,Tt,Et)where Yt, St, Tt and Et are the observed value, seasonal trend, long-term trend and irregular (residual) components, respectively, at time t. Additive decomposition

was considered appropriate Metalloexopeptidase here since the amplitude of seasonal fluctuation remained relatively constant over time. As the residuals from a Gaussian model are zero-centered and since the response variable was log-transformed, the residuals are on a log scale. Thus following temporal decomposition, seasonal cycles and long-term trends were re-centered around mean GAMM fitted values, and transformed back into the original photic depth scale via exponentiation. Patterns in daily Burdekin River discharge values were also decomposed both for seasonal and long-term trends ( Fig. 2). Long-term water clarity trends were hence cross-correlated against long-term river discharge trends. Effect sizes (rate of change in long-term water clarity per unit change in long-term discharge) were expressed as a percentage of initial water clarity, and R2 values were calculated. To explore spatial differences in the associations of photic depth and Burdekin River discharge, GAMMs and seasonal decompositions were also performed separately for each cross-shelf band (coastal, inner, lagoon, midshelf and outer shelf). In each case, photic depth data comprised daily measurements averaged across all points within that band. To explore temporal differences in photic depth between wet and dry years, the analyses were also performed separately for dry (2003–2006) and wet (2007–2012) years.

This approach was motivated by evidence of electrolyte toxicity at high OSI-744 purchase concentrations that occurred during freezing [64]. In fact, increased electrolyte concentration, particularly the sodium ion concentration, is found to have adverse effects on cell viability and homeostasis in various aspects of biopreservation

by changing the ionization levels of the phospholipid head groups and their range of electrostatic interactions [44] and [99]. Nonetheless, even theoretically perfect protocols of cryopreservation did not result in 100% survival of cells all the time, which led Fahy to discuss the evidence of CPA toxicity as a major cause of inefficiencies in protocols of cryopreservation for cells and tissues in an article published in 1986 [27]. In liquidus-tracking, exposing cells to a low concentration of CPA at the lowest temperature possible, i.e. 0 °C, minimizes the concentration- and temperature-dependent

toxicity of the CPA. The time-dependent toxicity of the CPA would depend on the rate of the CPA diffusion into the cells. Then the suspension of cells in CPA can be cooled down to the freezing point of the solution to further suppress the temperature-dependent toxic effects. Sequentially, more CPA concentration is introduced to the suspension and time is allowed for equilibration. The steps of concentration increase click here and temperature decrease continue until a vitrifiable concentration of the CPA is reached within the cells, at which point plunging the suspension of cells into liquid nitrogen vitrifies the system. This approach is feasible with cells in suspension considering that the size of the cells is much smaller compared to tissues (μm vs. mm). The CPA can cross the cell membrane and reach equilibrium within minutes [67] and [112]. In tissues, however, the time of diffusion and equilibration of CPA can take hours depending on the size and dimensions of the tissue [92] which is far too long for

protocols suggested by Farrant in terms CPA cytotoxicity. Elford and Walter were first however to practice Farrant’s stepwise loading/cooling method using smooth muscle cells [24]. However, the interstitial concentration of the CPA at each step was unknown in that study. In the last of a series of three papers by Pegg [82], [83] and [84], he describes the first perfectly performed actual liquidus-tracking method. Discs of ovine cartilage with 0.7 mm thickness were vitrified through a 7-step vitrification protocol and the interstitial concentration of the Me2SO at each step during loading and washing steps was carefully measured. The reported recovery of the chondrocytes, about 57%, was assessed by 35S incorporation in a glycosaminoglycan (GAG) functional assay.

Lungenreizung, -entzündung (Pneumonie) und -emphyseme sind beobachtet worden. Außerdem wurde über Hyperplasie von Lungenzellen, Fibrose, Pneumokoniose und allergisches Asthma verschiedener Schweregrade berichtet [36] and [37]. Daten über die Auswirkungen chronischer Inhalation von Nickel beim Menschen

stehen nur aus Studien zur berufsbedingten Exposition zur Verfügung. Bei Arbeitern einer Nickelraffinerie wurde nach 5 Jahren Exposition eine höhere Mortalität aufgrund von nichtmalignen Lungenerkrankungen als bei der Allgemeinbevölkerung dokumentiert. Nach 12-20 Jahren der Exposition wurde Pneumokoniose beobachtet [3]. Das mögliche Krebsrisiko für den Menschen durch luftgetragene Nickelspezies ist ein wichtiges Problem bei berufsbedingt

exponierten www.selleckchem.com/products/abt-199.html Arbeitern und wurde durch Inhalationsstudien KU-57788 concentration an Tieren untersucht. Frühere Arbeiten zeigten bereits, dass bei Ratten während einer zweijährigen Exposition gegenüber inhaliertem Nickelsubsulfid eine signifikant höhere Zahl von Lungentumoren auftrat [38]. Bei einer systematischen Untersuchung von Nickelspezies im Rahmen des United States National Toxicology Program wurden Nickelsulfat, grünes Nickeloxid und Nickelsubsulfid in zweijährigen Inhalationsstudien an Tieren getestet [39], [40] and [41]. Nickelsulfat führte nicht zu einer Zunahme der Anzahl von Lungentumoren bei Ratten, wohl aber Nickeloxid und Nickelsubsulfid; die letztere Spezies war das stärkste Tumorigen. Studien über einen möglichen Zusammenhang zwischen der Nickelaufnahme aus der Umgebung und Krebs stehen für die Allgemeinbevölkerung

nicht zur Verfügung. Die umfassendste Analyse historischer epidemiologischer Daten (vor 1990), die von 80.000 berufsbedingt exponierten Arbeitern an verschiedenen Standorten und mit unterschiedlichen Tätigkeiten stammten, führte das International Committee on Nickel Carcinogenesis in Man (ICNCM) durch [42]. Das wichtigste Ergebnis des ICNCM-Berichts war, dass für Arbeiter in Nickelraffinerien in der Vergangenheit ein signifikant selleck screening library höheres Risiko für Lungenkrebs und Karzinome der oberen Atemwege bestand, das möglicherweise auf das Vorliegen von weniger löslichen Nickelverbindungen in Konzentrationen von ≥ 10 mg Ni/m3 im Staub zurückzuführen war. So waren z. B. die Arbeiter der Raffinerie von Clydach in Wales vor 1920 großen Mengen an Nickel ausgesetzt. Konzentrationen von 10-100 mg/m3 bei einer Zusammensetzung aus etwa 60 % oxidischen, 20 % sulfidischen, 20 % metallischen und 3 % löslichen Nickelspezies waren mit einem vergleichsweise hohen Krebsrisiko verbunden. Nickelarsenid (Ni5As2) trug zusätzlich zur Karzinogenität des nickelhaltigen Raffineriestaubs bei [43] and [44].

Ellipsoid plots are generated in the standard way [25] and [30]: a

unit sphere is scaled by the moduli of the eigenvalues in the three primary directions, rotated into the principal axis frame of the tensor and translated to the point of the corresponding nucleus. Blue axes are drawn inside for positive eigenvalues and red axes for negative eigenvalues. Dipolar interaction tensors are not visualized – inter-nuclear check details dipolar coupling is visually apparent from the distances and electron–nuclear dipolar coupling is contained in the hyperfine interaction. In systems with multiple electrons, the inter-electron dipolar coupling is either contained in the distances (in the individual electron spin representation) or in the zero-field splitting tensor (in the total electron spin representation). It is often the case in Magnetic Resonance simulations that electrons do not have specific Cartesian coordinates, being instead delocalized over the nuclear ensemble and manifesting themselves through hyperfine interactions. For this reason electrons are drawn separately selleck chemicals in the lower part of the central area of Fig. 3. Electron interaction ellipsoids rotate synchronously with the rest of the molecule, but the electrons themselves (visualized as translucent blobs)

do not move around the visualization window. Zero-field splitting tensors and g-tensors are visualized as ellipsoids centered on their corresponding electrons and inter-electron exchange couplings are shown as coils with the amplitude PtdIns(3,4)P2 mapped to the color. A summary of the visualization methods is given in Table 1. Visualization tab in the upper part of the main window controls the appearance and scaling of the ellipsoids as well as magnitude-color maps in the 3D view using logarithmic sliders. Visualization of individual interactions may be switched on and off using the tick boxes. NMR and EPR buttons switch the 3D view to the visualization of the corresponding interactions – shielding, shift, J-coupling,

quadrupolar coupling for the NMR mode; g-tensor, hyperfine coupling, exchange coupling, zero-field splitting for the EPR mode. The primary format for spin system data storage and retrieval is SpinXML, but the GUI can also import Gaussian 03/09 logs (*.log, *.out), Cartesian XYZ files (*.xyz, coordinates only, isotopes are guessed) and both versions of CASTEP files (*.magres). When multiple instances of the relevant tables are present in the file (e.g. multiple coordinate sections in geometry optimizations), the last section is read. For Gaussian 03/09 calculations, the detailed printing option is required in the route section of the input file. Electronic structure theory calculations often produce large quantities of small interactions (e.g.