Realistic atomistic structure of amorphous silicon from machine-learning-driven molecular dynamics

Amorphous silicon (a-Si) is a widely studied noncrystalline material, and yet the subtle details of its atomistic structure are still unclear. Here, we show that accurate structural models of a-Si can be obtained using a machine-learning-based interatomic potential. Our best a-Si network is obtained by simulated cooling from the melt at a rate of 1011 K/s (that is, on the 10 ns time scale), contains less than 2% defects, and agrees with experiments regarding excess energies, diffraction data, and 29Si NMR chemical shifts. We show that this level of quality is impossible to achieve with faster quench simulations. We then generate a 4096-atom system that correctly reproduces the magnitude of the first sharp diffraction peak (FSDP) in the structure factor, achieving the closest agreement with experiments to date. Our study demonstrates the broader impact of machine-learning potentials for elucidating structures and properties of technologically important amorphous materials

Utjecaj trajanja in vitro sazrijevanja i inkubacije s aktivirajućim čimbenikom na kapacitet izlijeganja goveđih partenota - kratko priopćenje

The period of both in vitro maturation (IVM) and incubation with oocyte activators affects the blastocyst yield following parthenogenetic activation (PA). Nevertheless, it is still unknown how these conditions impact the expansion and hatching rates of bovine parthenogenetic blastocysts. The objective of this study was to assess the influence of the duration of IVM and exposure to the activating agent, 6-dimethylaminopurine (6-DMAP), on a number of developmental parameters in bovine parthenotes, including: Cleavage, blastocyst formation, expansion, and hatching. Slaughterhouse oocytes were subjected to different periods of IVM. Subsequently, eggs were first parthenogenetically activated for five minutes with ionomycin and then incubated for distinct lengths of time with a second activator, 6-DMAP. The treatments were: a) Control: 22 h IVM/4 h 6-DMAP; b) 22 h IVM/5 h 6-DMAP; c) 24 h IVM/4 h 6-DMAP; and d) 24 h IVM/5 h 6-DMAP. Developmental stages were evaluated at day 4 and day 8 of in vitro culture (IVC). No differences were detected in most developmental parameters. However, the duration of IVM and incubation with 6-DMAP significantly affected (P<0.05) hatching capacity considering the number of blastocysts (Hatch./Blast.). Also, this same variable was higher (P<0.05) in group b) 22 h IVM/5 h 6-DMAP (45.89 ± 12.59%), as compared to c) 24 h IVM/4 h 6-DMAP (6.67 ± 6.67%). In conclusion, the length of IVM and incubation with 6-DMAP influenced parthenogenetic development, where 22 h IVM/5 h 6-DMAP was the condition producing the highest Hatch./Blast. rate in bovine parthenotes.Vrijeme in vitro sazrijevanja (IVM) i vrijeme inkubacije s aktivatorima oocista utječu na stvaranje blastocista nakon partenogenetske aktivacije (PA). Ipak, još uvijek se ne zna kako navedeno utječe na ekspanziju i stopu izlijeganja goveđih partenogenetskih blastocista. Cilj rada bio je istražiti utjecaj trajanja IVM i izloženosti aktivirajućem čimbeniku 6-dimethylaminopurinu (6-DMAP) na više razvojnih parametara u goveđih partenota, uključujući diobu, formiranje blastociste, ekspanziju i izlijeganje. Oocite prikupljene u klaonicama bile su podvrgnute različitom trajanju IVM. Nakon toga jajašca su prvo partenogenetski aktivirana s ionomicinom kroz 5 minuta i nakon toga inkubirana tijekom određenih vremenskih razdoblja sa drugim aktivatorom, 6-DMAP. Protokoli po istraženim skupinama bili su sljedeći: a) kontrolna skupina 22 h IVM/4 h 6-DMAP, b) skupina 22 h IVM/5 h 6-DMAP, c) skupina 24 h IVM/4 h 6-DMAP i d) skupina 24 h IVM/5 h 6-DMAP. Razvojni stadiji in vitro kulture (IVC) procijenjivani su 4. i 8. dan. Za većinu razvojnih parametara nisu utvrđene razlike između istraženih skupina. Ipak, trajanja IVM i inkubacije sa 6-DMAP znakovito su utjecali (P<0,05) na kapacitet izlijeganja kad se u obzir uzme broj blastocista (izlijeganja/ blasociste). Također, isti pokazatelji bili su viši (P<0,05) u skupini b) 22 h IVM/5 h 6-DMAP (45,89 ± 12,59 %) u odnosu na skupinu c) 24 h IVM/4 h 6-DMAP (6,67 ± 6,67 %). Zaključno, trajanje IVM i inkubacije sa 6-DMAP utjecali su na partenogenetski razvoj, pri čemu je 22 h IVM/5 h 6-DMAP kombinacija koja u goveđih partenota proizvodi najvišu stopu za pokazetelj izlijeganje/blasociste

Mental Health and Substance Abuse Services Preferences among American Indian People of the Northern Midwest

This study examines factors that influence preferences between traditional cultural and western mental health and substance use associated care among American Indians from the northern Midwest. Personal interviews were conducted with 865 parents/caretakers of tribally enrolled youth concerning their preferences for traditional/cultural and formal healthcare for mental health or substance abuse problems. Adults strongly preferred traditional informal services to formal medical services. In addition, formal services on reservation were preferred to off reservation services. To better serve the mental health and substance abuse treatment needs of American Indians, traditional informal services should be incorporated into the current medical model

Seasonal pattern of peptic ulcer hospitalizations: analysis of the hospital discharge data of the Emilia-Romagna region of Italy

BACKGROUND: Previous studies have reported seasonal variation in peptic ulcer disease (PUD), but few large-scale, population-based studies have been conducted. METHODS: To verify whether a seasonal variation in cases of PUD (either complicated or not complicated) requiring acute hospitalization exists, we assessed the database of hospital admissions of the region Emilia Romagna (RER), Italy, obtained from the Center for Health Statistics, between January 1998 and December 2005. Admissions were categorized by sex, age ( or = 75 yrs), site of PUD lesion (stomach or duodenum), main complication (hemorrhage or perforation), and final outcome (intended as fatal outcome: in-hospital death; nonfatal outcome: patient discharged alive). Temporal patterns in PUD admissions were assessed in two ways, considering a) total counts per single month and season, and b) prevalence proportion, such as the monthly prevalence of PUD admissions divided by the monthly prevalence of total hospital admissions, to assess if the temporal patterns in the raw data might be the consequence of seasonal and annual variations in hospital admissions per se in the region. For statistical analysis, the chi2 test for goodness of fit and inferential chronobiologic method (Cosinor and partial Fourier series) were used. RESULTS: Of the total sample of PUD patients (26,848 [16,795 males, age 65 +/- 16 yrs; 10,053 females, age 72 +/- 15 yrs, p or = 75 yrs of age. There were more cases of duodenal (DU). (89.8%) than gastric ulcer (GU) (3.6%), and there were 1,290 (4.8%) fatal events. Data by season showed a statistically difference with the lowest proportion of PUD hospital admissions in summer (23.3%) (p < 0.001), for total cases and rather all subgroups. Chronobiological analysis identified three major peaks of PUD hospitalizations (September-October, January-February, and April-May) for the whole sample (p = 0.035), and several subgroups, with nadir in July. Finally, analysis of the monthly prevalence proportions yielded a significant (p = 0.025) biphasic pattern with a main peak in August-September-October, and a secondary one in January-February. CONCLUSIONS: A seasonal variation in PUD hospitalization, characterized by three peaks of higher incidence (Autumn, Winter, and Spring) is observed. When data corrected by monthly admission proportions are analyzed, late summer-autumn and winter are confirmed as higher risk periods. The underlying pathophysiologic mechanisms are unknown, and need further studies. In subjects at higher risk, certain periods of the year could deserve an appropriate pharmacological protection to reduce the risk of PUD hospitalization

Structure-based functional inference of hypothetical proteins from Mycoplasma hyopneumoniae

Enzootic pneumonia caused by Mycoplasma hyopneumoniae is a major constraint to efficient pork production throughout the world. This pathogen has a small genome with 716 coding sequences, of which 418 are homologous to proteins with known functions. However, almost 42% of the 716 coding sequences are annotated as hypothetical proteins. Alternative methodologies such as threading and comparative modeling can be used to predict structures and functions of such hypothetical proteins. Often, these alternative methods can answer questions about the properties of a model system faster than experiments. In this study, we predicted the structures of seven proteins annotated as hypothetical in M. hyopneumoniae, using the structure-based approaches mentioned above. Three proteins were predicted to be involved in metabolic processes, two proteins in transcription and two proteins where no function could be assigned. However, the modeled structures of the last two proteins suggested experimental designs to identify their functions. Our findings are important in diminishing the gap between the lack of annotation of important metabolic pathways and the great number of hypothetical proteins in the M. hyopneumoniae genome