Análise de componentes principais de atributos químicos e físicos do solo limitantes à produtividade de grãos.

O objetivo deste trabalho foi avaliar, por meio da análise dos componentes principais, a redução na dimensionalidade de atributos químicos e físicos do solo para a compreensão da variabilidade espacial e temporal da produtividade de culturas de grãos. A área experimental, de 54 ha, é manejada em agricultura de precisão há oito anos. Com base em seis mapas de colheita (soja - safra 2000/2001; milho - 2001/2002; soja - 2002/2003; trigo - 2003; soja - 2003/2004; e milho - 2004/2005), a área foi dividida em três zonas de produtividade de grãos (alta, média e baixa). Foram definidos 15 pontos georreferenciados representativos, para determinação de atributos químicos e físicos do solo, o que totalizou 63 variáveis analisadas. Entre os atributos químicos, o elevado teor de K no solo é o que melhor explica a variabilidade espacial da produtividade das culturas de grãos, provavelmente em razão do desbalanço das relações Ca:K e Mg:K. A zona de baixa produtividade apresentou baixa qualidade física do solo. Neste caso, a infiltração de água no solo, isoladamente, é a variável que melhor explica o desempenho das culturas de grãos. A análise dos componentes principais dos atributos químicos e físicos do solo é estratégia eficiente para explicar a variabilidade espacial e temporal da produtividade de culturas de grãos

Once-monthly paliperidone palmitate in recently diagnosed and chronic non-acute patients with schizophrenia

OBJECTIVE: To explore the treatment response, tolerability and safety of once-monthly paliperidone palmitate (PP1M) in non-acute patients switched to oral antipsychotics stratified by time since diagnosis as recently diagnosed (3 years). RESEARCH DESIGN AND METHODS: Post-hoc analysis of a prospective, interventional, single-arm, multicentre, open-label, 6-month study performed in 233 recently diagnosed and 360 chronic patients. MAIN OUTCOME MEASURES: The proportion achieving treatment response (defined as >/=20% improvement in Positive and Negative Syndrome Scale [PANSS] total score from baseline to endpoint) and maintained efficacy (defined as non-inferiority in the change in PANSS total score at endpoint [Schuirmann's test]). RESULTS: 71.4% of recently diagnosed and 59.2% of chronic patients showed a >/=20% decrease in PANSS total score (p=0.0028 between groups). Changes in PANSS Marder factors, PANSS subscales, and the proportion of patients with a Personal and Social Performance scale (PSP) total score of 71-100 were significantly greater in recently diagnosed compared with chronic patients. PP1M was well tolerated, presenting no new safety signals. CONCLUSION: These data show that recently diagnosed patients treated with PP1M had a significantly higher treatment response and improved functioning, as assessed by the PSP total score, than chronic patients

Is the expansion of sugarcane over pasturelands a sustainable strategy for Brazil's bioenergy industry?

The authors gratefully thank the São Paulo Research Foundation (FAPESP) (grants # 2014/08632-9 # 2015/14122-6, # 2013/17581-6, # 2014/16612-8 and 2018/09845-7) for the scholarship granted while this research was carried out, and CNPq (grants # 402992/2013-0 and # 311661/2014-9) for the financial support of the present research. Anonymous reviewers are also thanked for their valuable criticisms and comments, which led to substantial improvements of this manuscript.Peer reviewedPostprintPostprin

Infective endocarditis in intravenous drug abusers: an update

Infective endocarditis despite advances in diagnosis remains a common cause of hospitalization, with high morbidity and mortality rates. Through literature review it is possible to conclude that polymicrobial endocarditis occurs mainly in intravenous drug abusers with predominance in the right side of the heart, often with tricuspid valve involvement. This fact can be associated with the type of drug used by the patients; therefore, knowledge of the patient's history is critical for adjustment of the therapy. It is also important to emphasize that the most common combinations of organisms in polymicrobial infective endocarditis are: Staphylococcus aureus, Streptococcus pneumonia and Pseudomonas aeruginosa, as well as mixed cultures of Candida spp. and bacteria. A better understanding of the epidemiology and associated risk factors are required in order to develop an efficient therapy, although PE studies are difficult to perform due to the rarity of cases and lack of prospective cohorts.This work was supported by Portuguese Foundation for Science and Technology (FCT) through the grants SFRH/BPD/47693/2008, SFRH/BPD/20987/2004 and SFRH/BPD/72632/2010 attributed to Claudia Sousa, Claudia Botelho and Diana Rodrigues, respectively

Tunable approximations to control time-to-solution in an HPC molecular docking Mini-App

The drug discovery process involves several tasks to be performed in vivo, in vitro and in silico. Molecular docking is a task typically performed in silico. It aims at finding the three-dimensional pose of a given molecule when it interacts with the target protein binding site. This task is often done for virtual screening a huge set of molecules to find the most promising ones, which will be forwarded to the later stages of the drug discovery process. Given the huge complexity of the problem, molecular docking cannot be solved by exploring the entire space of the ligand poses. State-of-the-art approaches face the problem by sampling the space of the ligand poses to generate results in a reasonable time budget. In this work, we improve the geometric approach to molecular docking by introducing tunable approximations. In particular, we analysed and enriched the original implementation with tunable software knobs to explore and control the performance-accuracy trade-offs. We modelled time-to-solution of the virtual screening task as a function of software knobs, input data features, and available computational resources. Therefore, the application can autotune its configuration according to a user-defined time budget. We used a Mini-App derived by LiGenDock—a state-of-the-art molecular docking application—to validate the proposed approach. We run the enhanced Mini-App on a high-performance computing system by using a very large database of pockets and ligands. The proposed approach exposes a time-to-solution interval spanning more than one order of magnitude with accuracy degradation up to 30%, more in general providing different accuracy levels according to the needs of the virtual screening campaign