Miracle-dz/UniFAR-FTUs huggingface dataset:
Further conventions for NMR shielding and chemical shifts (IUPAC Recommendations 2008)

Abstract IUPAC has published a number of recommendations regarding the reporting of nuclear magnetic resonance (NMR) data, especially chemical shifts. The most recent publication [Pure Appl. Chem.73, 1795 (2001)] recommended that tetramethylsilane (TMS) serve as a universal reference for reporting the shifts of all nuclides, but it deferred recommendations for several aspects of this subject. This document first examines the extent to which the 1H shielding in TMS itself is subject to change by variation in temperature, concentration, and solvent. On the basis of recently published results, it has been established that the shielding of TMS in solution [along with that of sodium-3-(trimethylsilyl)propanesulfonate, DSS, often used as a reference for aqueous solutions] varies only slightly with temperature but is subject to solvent perturbations of a few tenths of a parts per million (ppm). Recommendations are given for reporting chemical shifts under most routine experimental conditions and for quantifying effects of temperature and solvent variation, including the use of magnetic susceptibility corrections and of magic-angle spinning (MAS). This document provides the first IUPAC recommendations for referencing and reporting chemical shifts in solids, based on high-resolution MAS studies. Procedures are given for relating 13C NMR chemical shifts in solids to the scales used for high-resolution studies in the liquid phase. The notation and terminology used for describing chemical shift and shielding tensors in solids is reviewed in some detail, and recommendations are given for best practice.
Implementing Residual‐Based KPSS Tests for Cointegration with Data Subject to Temporal Aggregation and Mixed Sampling Frequencies

We show how different data types (stocks and flows) and temporal aggregation affect the size and power of the dynamic ordinary least squares residual‐based Kwiatkowski–Phillips–Schmidt–Shin (KPSS) test of the null of cointegration. Size may be more effectively controlled by setting the minimum number of leads equal to one – as opposed to zero – when selecting the lag/lead order of the dynamic ordinary least squares regression using aggregated data, but at a cost to power. If high‐frequency data for one or more series are available – that is, the model has mixed sampling frequencies – we show how to effectively utilize the high‐frequency data to increase power while controlling size.
Implementing a Characterization of Genre for Automatic Genre Identification of Web Pages

In this paper, we propose an implementable characterization of genre suitable for automatic genre identification of web pages. This characterization is implemented as an inferential model based on a modified version of Bayes' theorem. Such a model can deal with genre hybridism and individualization, two important forces behind genre evolution. Results show that this approach is effective and is worth further research.
IMPACT OF BIODIESEL FUELS ON AIR QUALITY AND HUMAN HEALTH: TASK 5 REPORT, AIR TOXICS MODELING OF THE EFFECTS OF BIODIESEL FUEL USE ON HUMAN HEALTH IN THE SOUTH COAST AIR BASIN REGION OF SOUTHERN CALIFORNIA

This document is the Task 5 report for the NREL study "Impacts of Biodiesel Fuels on Air Quality and Human Health" study. The objective of Task 5 is to estimate the effects of the use of biodiesel fuels on air toxics and resultant risk, exposure, and human health.
Intrinsic and Antipsychotic Drug-Induced Metabolic Dysfunction in Schizophrenia

For decades, there have been observations demonstrating significant metabolic disturbances in people with schizophrenia including clinically relevant weight gain, hypertension, and disturbances in glucose and lipid homeostasis. Many of these findings pre-date the use of antipsychotic drugs (APDs) which on their own are also strongly associated with metabolic side effects. The combination of APD-induced metabolic changes and common adverse environmental factors associated with schizophrenia have made it difficult to determine the specific contributions of each to the overall metabolic picture. Data from drug-naïve patients, both from the pre-APD era and more recently, suggest that there may be an intrinsic metabolic risk associated with schizophrenia. Nevertheless, these findings remain controversial due to significant clinical variability in both psychiatric and metabolic symptoms throughout patients' disease courses. Here, we provide an extensive review of classic and more recent literature describing the metabolic phenotype associated with schizophrenia. We also suggest potential mechanistic links between signaling pathways associated with schizophrenia and metabolic dysfunction. We propose that, beyond its symptomatology in the central nervous system, schizophrenia is also characterized by pathophysiology in other organ systems directly related to metabolic control.
Microbial Existence in Controlled Habitats and Their Resistance to Space Conditions

The National Research Council (NRC) has recently recognized the International Space Station (ISS) as uniquely suitable for furthering the study of microbial species in closed habitats. Answering the NRC’s call for the study, in particular, of uncommon microbial species in the ISS, and/or of those that have significantly increased or decreased in number, space microbiologists have begun capitalizing on the maturity, speed, and cost-effectiveness of molecular/genomic microbiological technologies to elucidate changes in microbial populations in the ISS and other closed habitats. Since investigators can only collect samples infrequently from the ISS itself due to logistical reasons, Earth analogs, such as spacecraft-assembly clean rooms, are used and extensively characterized for the presence of microbes. Microbiologists identify the predominant, problematic, and extremophilic microbial species in these closed habitats and use the ISS as a testbed to study their resistance to extreme extraterrestrial environmental conditions. Investigators monitor the microbes exposed to the real space conditions in order to track their genomic changes in response to the selective pressures present in outer space (external to the ISS) and the spaceflight (in the interior of the ISS). In this review, we discussed the presence of microbes in space research-related closed habitats and the resistance of some microbial species to the extreme environmental conditions of space.
Change Detection with Weightless Neural Networks

In this paper a pixel -- based Weightless Neural Network (WNN) method to face the problem of change detection in the field of view of a camera is proposed. The main features of the proposed method are 1) the dynamic adaptability to background change due to the WNN model adopted and 2) the introduction of pixel color histories to improve system behavior in videos characterized by (des)appearing of objects in video scene and/or sudden changes in lightning and background brightness and shape. The WNN approach is very simple and straightforward, and it gives high rank results in competition with other approaches applied to the ChangeDetection.net 2014 benchmark dataset.
$\hbox{Ga}_{2} \hbox{O}_{3}$ Schottky Barrier Diodes Fabricated by Using Single-Crystal $\beta$– $\hbox{Ga}_{2} \hbox{O}_{3}$ (010) Substrates

We fabricated gallium oxide (Ga<sub>2</sub>O<sub>3</sub>) Schottky barrier diodes using β-Ga<sub>2</sub>O<sub>3</sub> single-crystal substrates produced by the floating-zone method. The crystal quality of the substrates was excellent; the X-ray diffraction rocking curve peak had a full width at half-maximum of 32 arcsec, and the etch pit density was less than 1×10<sup>4</sup> cm<sup>-2</sup>. The devices exhibited good characteristics, such as an ideality factor close to unity and a reasonably high reverse breakdown voltage of about 150 V. The Schottky barrier height of the Pt/β-Ga<sub>2</sub>O<sub>3</sub> interface was estimated to be 1.3-1.5 eV.
Isolation and Characterization of DkPK Genes Associated with Natural Deastringency in C-PCNA Persimmon

Chinese pollination-constant non-astringent (C-PCNA) persimmon (Diospyros kaki Thunb.) is considered to be an important germplasm resource for the breeding of PCNA cultivars, though its molecular mechanisms of astringency removal remain to be elucidated. Previously, we showed that the abundance of pyruvate kinase gene transcripts increased rapidly during astringency removal in C-PCNA persimmon fruit. Here, we report the full-length coding sequences of six novel DkPK genes from C-PCNA persimmon fruit isolated based on a complementary DNA (cDNA) library and transcriptome data. The expression patterns of these six DkPK genes and correlations with the soluble proanthocyanidin (PA) content were analyzed during various fruit development stages in different types of persimmon, with DkPK1 showing an expression pattern during the last stage in C-PCNA persimmon that was positively correlated with a decrease in soluble PAs. Phylogenetic analysis revealed that DkPK1 belongs to cytosolic-1 subgroup, and subcellular localization analysis confirmed that DkPK1 is located in the cytosol. Notably, tissue expression profiling revealed ubiquitous DkPK1 expression in different persimmon organs, with the highest expression in seeds. Furthermore, transient over-expression of DkPK1 in persimmon leaves resulted in a significant decrease in the content of soluble PAs but a significant increase in the transcript levels of pyruvate decarboxylase genes (DkPDC1, -3, -4, -5), which catalyze the conversion of pyruvate to acetaldehyde. Thus, we propose that an acetaldehyde-based coagulation effect reduces the content of soluble PAs. Taken together, our results suggest that DkPK1 might be involved in the natural removal of astringency at the last developmental stage in C-PCNA persimmon. This is the first report to identify several novel full-length DkPK genes as well as their potential roles in the natural loss of astringency in C-PCNA persimmon.
A Model for the Fast Synchronous Oscillations of Firing Rate in Rat Suprachiasmatic Nucleus Neurons Cultured in a Multielectrode Array Dish

When dispersed and cultured in a multielectrode dish (MED), suprachiasmatic nucleus (SCN) neurons express fast oscillations of firing rate (FOFR; fast relative to the circadian cycle), with burst duration ∼10 min, and interburst interval varying from 20 to 60 min in different cells but remaining nevertheless rather regular in individual cells. In many cases, separate neurons in distant parts of the 1 mm recording area of a MED exhibited correlated FOFR. Neither the mechanism of FOFR nor the mechanism of their synchronization among neurons is known. Based on recent data implicating vasoactive intestinal polypeptide (VIP) as a key intercellular synchronizing agent, we built a model in which VIP acts as both a feedback regulator to generate FOFR in individual neurons, and a diffusible synchronizing agent to produce coherent electrical output of a neuronal network. In our model, VIP binding to its (VPAC2) receptors acts through Gs G-proteins to activate adenylyl cyclase (AC), increase intracellular cAMP, and open cyclic-nucleotide-gated (CNG) cation channels, thus depolarizing the cell and generating neuronal firing to release VIP. In parallel, slowly developing homologous desensitization and internalization of VPAC2 receptors terminates elevation of cAMP and thereby provides an interpulse silent interval. Through mathematical modeling, we show that this VIP/VPAC2/AC/cAMP/CNG-channel mechanism is sufficient for generating reliable FOFR in single neurons. When our model for FOFR is combined with a published model of synchronization of circadian rhythms based on VIP/VPAC2 and Per gene regulation synchronization of circadian rhythms is significantly accelerated. These results suggest that (a) auto/paracrine regulation by VIP/VPAC2 and intracellular AC/cAMP/CNG-channels are sufficient to provide robust FOFR and synchrony among neurons in a heterogeneous network, and (b) this system may also participate in synchronization of circadian rhythms.
Antibiotic susceptibility pattern of strains of Campylobacter coli isolated in Osogbo, Nigeria

Gastroenteritis due to Campylobacter species has just been established in Osogbo. There is a need to establish the antibiotic sensitivity pattern of isolates of Campylobacter. The study was done to determine the antibiotic susceptibility patterns and Campylobacter coli isolate obtained from stool specimens from children with diarrhea in Osogbo. The strains of Campylobacter coli were isolated from 602 children between 0 and 36 months of age. The antimicrobial susceptibility test was carried out. All isolates tested were sensitive to erythromycin, gentamycin, tetracycline, ciprofloxacin whereas none was sensitive to contrimoxazole.
The Wendelstein Calar Alto Pixellensing Project (WeCAPP): the M 31 variable star catalogue

In this paper we present the WeCAPP catalogue of variable stars found in the bulge of M 31. Observations in the WeCAPP microlensing survey (optical R and I bands) for a period of three years (2000-2003) resulted in a database with unprecedented time coverage for an extragalactic variable star study. We detected 23781 variable sources in a 16.1' x 16.6' field centered on the nucleus of M 31. The catalogue of variable stars contains the positions, the periods, and the variation amplitudes in the R and I bands. We classified the variables according to their position in the R-band period-amplitude plane. Three groups can be distinguished; while the first two groups can be mainly associated with Cepheid-like variables (population I Cepheids in group I; type II Cepheids and RV Tauri stars in group II), the third one consists of Long Period Variables (LPVs). We detected 37 RV Tauri stars and 11 RV Tauri candidates, which makes this catalogue one of the largest collections of this class of stars to date. The classification scheme is supported by Fourier decomposition of the light curves. Our data shows a correlation of the low-order Fourier coefficients Φ 21 with Φ 31 for classical Cepheids, as well as for type II Cepheids and RV Tauri stars. Correlating our sample of variable stars with X-ray based catalogues of Kaaret (2002, ApJ, 578, 114) and Kong et al. (2002, ApJ, 577, 738) results in 23 and 31 coincidences, 8 and 12 of which are M 31 globular clusters. The number density of detected variables is clearly not symmetric, which has to be included in the calculations of the expected microlensing event rate towards M 31. This asymmetry is due to the enhanced extinction in the spiral arms superimposed on the bulge of M 31, which reduces the number of sources to about 60%, if compared to areas of equivalent bulge brightness without enhanced extinction present.
Particle – wall collisions in a viscous fluid

This paper presents experimental measurements of the approach and rebound of a particle colliding with a wall in a viscous fluid. The particle’s trajectory was controlled by setting the initial inclination angle of a pendulum immersed in a fluid. The resulting collisions were monitored using a high-speed video camera. The diameters of the particles ranged from 3 to 12 mm, and the ratio of the particle density to fluid density varied from 1.2 to 7.8. The experiments were performed using a thick glass or Lucite wall with different mixtures of glycerol and water. With these parameters, the Reynolds number defined using the velocity just prior to impact ranged from 10 to approximately 3000. A coefficient of restitution was defined from the ratio of the velocity just prior to and after impact. The experiments clearly demonstrate that the rebound velocity depends on the impact Stokes number (defined from the Reynolds number and the density ratio) and weakly on the elastic properties of the material. Below a Stokes number of approximately 10, no rebound of the particle occurred. For impact Stokes number above 500 the coefficient of restitution appears to asymptote to the values for dry collisions. The coefficients of restitution were also compared with previous experimental studies. In addition, the approach of the particle to the wall indicated that the particle slowed prior to impacting the surface. The distance at which the particle’s trajectory varied due to the presence of the wall was dependent on the impact Stokes number. The particle surface roughness was found to affect the repeatability of some measurements, especially for low impact velocities.
Molecular cloning of type I collagen cDNA and nutritional regulation of type I collagen mRNA expression in grass carp.

Grass carp (Ctenopharyngodon idellus) are important Chinese freshwater fish, and in China, the faba bean has been used as the sole food source for grass carp to transform them into crisp grass carp. Because of this, crisp grass carp has become an economically important fish because of its increased muscle hardness. To study the nutritional regulation of type I collagen in faba bean-fed grass carp, we isolated type I collagen alpha 2 (COL1A2) on the basis of our isolation of COL1A1. The COL1A2 cDNA was found to be 4899 bp in length and included a 4059-bp coding sequence (CDS) and encoded a polypeptide of 1352 AA. The protein peptide molecular weight was 127.39 kD, and the theoretical isoelectric point was 9.37. The COL1A2 protein possessed five α-helixes, eight β-sheets, 16 regions of triple helical repeats, 21 low-complexity regions, 10 function domains and two zinc-binding sites; however, no calcium-binding sites were observed. The mRNA expression of COL1A1 and COL1A2 was assessed in eight tissues (muscle, hepatopancreas, intestine, gills, skin, fin, kidney and spleen) from grass carp and crisp grass carp by semi-quantitative RT-PCR. Expression of COL1A1 in the muscle, intestines and skin of crisp grass carp was higher than that in grass carp, and expression of COL1A2 in the muscle, gills, fin and skin of crisp grass carp was higher than that in grass carp. In the muscle of crisp grass carp, expression of COL1A1 and COL1A2 was higher than that in grass carp, which was further confirmed by real-time PCR, and collagen content also was enhanced. These results demonstrated that type I collagen was closely related to the increased muscle hardness of faba bean-fed grass carp.
Simulation of “great salinity anomalies” in coupled climate models

[1] “Great salinity anomalies” (GSAs) have been observed to propagate in the upper ocean around the subpolar gyre of the North Atlantic with a decadal timescale of both propagation and return. Successful simulation of such features in the ocean is an important prerequisite for confidence in predictions of the ocean's response to future freshwater anomalies from ice melt or subpolar river discharge. The coupled climate model experiments, prepared for the Fourth Assessment Report of the Intergovernmental Panel on Climate Change, offer a unique cross section of model formulations, resolutions, and scenarios with which to explore climate models' ability to produce GSAs. The performance of nine different models, with a range of horizontal and vertical atmospheric and oceanic resolutions, in producing GSAs was examined using a base period of 100 years. One scenario was a preindustrial control simulation, while the other was forced by an increasing atmospheric carbon dioxide of an enhanced greenhouse world (scenario sresa1b). It was found that the strongest control on the existence of model GSAs was the oceanic horizontal resolution. This needed to be of the order of 1.5° or less for GSAs to occur within the model. Those models which possessed GSAs were overwhelmingly generated within the Labrador Sea, with similar periodicities to those observed. Anomalies reaching the Greenland Sea through the Nordic Sea gyre circulations generally slowed and died before propagating back into the Atlantic. Freshwater flow through the Canadian Archipelago appears to be an important factor in producing the most realistic simulation. Within the greenhouse world, GSAs were significantly less likely to occur, weaker, and more likely to originate from the east of Greenland.
Building Knowledge Sharing Communities Using Team Expertise Access Maps (TEAM)

It is difficult for organizations to effectively manage personal knowledge so it can be mobilized, shared, and rewarded to benefit the organization. The difficulties are compounded in large organizations where people with potentially valuable knowledge are unknown to one another and dispersed geographically. Issues that are potentially amenable to management include identification, indexing and codification of the knowledge held in people's heads, and the cultural issues of discovery, mutual trust and sharing at the personal level. A large engineering and project management organization ("EPMO") has prototyped a methodology to graphically codify, index and map staff knowledge using mind mapping technologies. Not only does the methodology provide a graphical structure making it easy for staff to determine who is likely to posses the kind of knowledge they need to find, but interview process is an important facilitator to precondition the knowledge bearers for sharing, and the content of the resulting maps tends to present the knowledge bearers in a more humanized way.
Generative Musical Tension Modeling and Its Application to Dynamic Sonification

This article presents a novel implementation of a real-time, generative model of musical tension. We contextualize this design in an application called the Accessible Aquarium Project, which aims to sonify visually dynamic experiences through generative music. As a result, our algorithm utilizes real-time manipulation of musical elements in order to continuously and dynamically represent visual information. To effectively generate music, the model combines low-level elements (such as pitch height, note density, and panning) with high-level features (such as melodic attraction) and aspects of musical tension (such as harmonic expectancy). We begin with the goals and challenges addressed throughout the project, and continue by describing the project’s contribution in, and comparison to, related work. The article then discusses how the project’s generative features direct the manipulation of musical tension. We then describe our technical choices, such as the use of Fred Lerdahl’s formulas for analysis of tension in music (Lerdahl 2001) as a model for generative tension control, and our implementation of these ideas. The article demonstrates the correlation between our generative engine and cognitive theory, and details the incorporation of input variables as facilitators of low- and high-level mappings of visual information. We conclude with a description of a user study, as well as self-evaluation of our work, and discuss prospective future work, including improvements to our current modeling method and developments in additional high-level percepts. Previous Work After originating in the early 1950s, computer-based generative music branched into several different
Rock Physics Models of Gas Hydrates and Their Implications in Seismic Detection

In this study, we use two gas hydrate wells in Canada to evaluate the existing rock physics models for gas hydrates and find the best-fit model for gas hydrate quantification using velocity information. The two wells have gas hydrate saturation estimates from resistivity and NMR data, respectively. We use the gas hydrate saturation estimates and model the P- and S-wave velocity responses using several existing rock physical models. The estimated velocities were then compared with the measured velocities from the well. The result indicates that the effective medium theory model which treats gas hydrates as load-bearing grains matches the well log data best. We apply this model to a 3D seismic volume in the deepwater Gulf of Mexico (GOM) and predict gas hydrate concentration using seismic inversion techniques.