Methodologies in Predictive Visual Analytics

abstract: Predictive analytics embraces an extensive area of techniques from statistical modeling to machine learning to data mining and is applied in business intelligence, public health, disaster management and response, and many other fields. To date, visualization has been broadly used to support tasks in the predictive analytics pipeline under the underlying assumption that a human-in-the-loop can aid the analysis by integrating domain knowledge that might not be broadly captured by the system. Primary uses of visualization in the predictive analytics pipeline have focused on data cleaning, exploratory analysis, and diagnostics. More recently, numerous visual analytics systems for feature selection, incremental learning, and various prediction tasks have been proposed to support the growing use of complex models, agent-specific optimization, and comprehensive model comparison and result exploration. Such work is being driven by advances in interactive machine learning and the desire of end-users to understand and engage with the modeling process. However, despite the numerous and promising applications of visual analytics to predictive analytics tasks, work to assess the effectiveness of predictive visual analytics is lacking. This thesis studies the current methodologies in predictive visual analytics. It first defines the scope of predictive analytics and presents a predictive visual analytics (PVA) pipeline. Following the proposed pipeline, a predictive visual analytics framework is developed to be used to explore under what circumstances a human-in-the-loop prediction process is most effective. This framework combines sentiment analysis, feature selection mechanisms, similarity comparisons and model cross-validation through a variety of interactive visualizations to support analysts in model building and prediction. To test the proposed framework, an instantiation for movie box-office prediction is developed and evaluated. Results from small-scale user studies are presented and discussed, and a generalized user study is carried out to assess the role of predictive visual analytics under a movie box-office prediction scenario.Dissertation/ThesisDoctoral Dissertation Engineering 201

Dye-sensitized photooxygenation of sugar furans: novel bis-epoxide and spirocyclic C-nucleosides.

Dye-sensitized photooxygenation of 2-methyl 5-(2,3,5-tri-O-acetyl-b-D-ribofuranosyl)furoate leads to (1S,4R)-endo-peroxide, highlighting a high facial diastereoselectivity. This endo-peroxide rearranges into syn-(1R,2R:3S,4R)-diepoxide C-nucleoside, while by Et2S-reduction followed by NEt3 catalysis affords a spirocyclic C-nucleoside

Lc and nmr studies for identification and characterization of degradation byproducts of olmesartan acid, elucidation of their degradation pathway and ecotoxicity assessment

The discovery of various sartans, which are among the most used antihypertensive drugs in the world, is increasingly frequent not only in wastewater but also in surface water and, in some cases, even in drinking or groundwater. In this paper, the degradation pathway of olmesartan acid, one of the most used sartans, was investigated by simulating the chlorination process normally used in a wastewater treatment plant to reduce similar emerging pollutants. The structures of nine isolated degradation byproducts (DPs), eight of which were isolated for the first time, were separated via chromatography column and HPLC methods, identified by combining nuclear magnetic resonance and mass spectrometry, and justified by a proposed mechanism of formation beginning from the parent drug. Ecotoxicity tests on olmesartan acid and its nine DPs showed that 50% of the investigated byproducts inhibited the target species Aliivibrio fischeri and Raphidocelis subcapitata, causing functional decreases of 18% and 53%, respectively

Secondary effects of hypochlorite treatment on the emerging pollutant candesartan: The formation of degradation byproducts and their toxicological profiles

In recent years, many studies have reported the frequent detection of antihypertensive agents such as sartans (olmesartan, valsartan, irbesartan and candesartan) in the influents and effluents of wastewater treatment plants (WWTPs) and in the superficial waters of rivers and lakes in both Europe and North America. In this paper, the degradation pathway for candesartan (CAN) was investigated by simulating the chlorination process that is normally used to reduce microbial contamination in a WWTP. Twelve isolated degradation byproducts (DPs), four of which were isolated for the first time, were separated on a C-18 column by employing a gradient HPLC method, and their structures were identified by combining nuclear magnetic resonance and mass spectrometry and comparing the results with commercial standards. On the basis of these results, a mechanism of formation starting from the parent drug is proposed. The ecotoxicity of CAN and its DPs was studied by conducting a battery of ecotoxicity tests; bioassays were performed using Aliivibrio fischeri (bacterium), Daphnia magna (planktonic crustacean) and Raphidocelis subcapitata (alga). The ecotoxicity results shed new light on the increased toxicity of DPs compared with the parent compound

Amoxicillin in water: Insights into relative reactivity, byproduct formation, and toxicological interactions during chlorination

In recent years, many studies have highlighted the consistent finding of amoxicillin in waters destined for wastewater treatment plants, in addition to superficial waters of rivers and lakes in both Europe and North America. In this paper, the amoxicillin degradation pathway was investigated by simulating the chlorination process normally used in a wastewater treatment plant to reduce similar emerging pollutants at three different pH values. The structures of 16 isolated degradation byproducts (DPs), one of which was isolated for the first time, were separated on a C-18 column via a gradient HPLC method. Combining mass spectrometry and nuclear magnetic resonance, we then compared commercial standards and justified a proposed formation mechanism beginning from the parent drug. Microbial growth inhibition bioassays with Escherichia coli, Klebsiella pneumoniae, and Staphylococcus aureus were performed to determine the potential loss of antibacterial activity in isolated degradation byproducts. An increase of antibacterial activity in the DPs was observed compared to the parent compound

Octocrylene: From Sunscreens to the Degradation Pathway during Chlorination Processes: Formation of Byproducts and Their Ecotoxicity Assessment

Octocrylene is an organic sunscreen whose main action is to absorb UVB radiation and short UVA wavelengths; it is used in various cosmetic products in order to provide an adequate sun-protection factor or to protect the cosmetic formulations themselves from UV radiation. This filter is believed to be a possible endocrine disruptor and is also questioned due to its allergic and/or photoallergic potential. However, it continues to be widely used, and it has been found in various environments, not least those of swimming pools, where it is evidently released by consumers, to the point that it is now considered an emerging micropollutant. The present investigation presents the possible chemical fate of octocrylene in the typical chlorination conditions of wastewater or swimming pools. A total of 11 disinfection byproducts were identified, and 6 were identified for the first time, and separated by HPLC. These products were identified through careful mass spectrometry studies and 1D and 2D NMR experiments. A formation mechanism has been proposed that justifies the chemical structures of all of the compounds identified. The ecotoxicological assessment of octocrylene and their products was carried out by employing Phaeodactylum tricornutum, Brachionus plicatilis and Aliivibrio fischeri as bioindicators. The ecotoxicity results reveal that toxic byproducts might be generated during the oxidation process, increasing the potential risk to the marine environment

Complete characterization of degradation byproducts of olmesartan acid, degradation pathway, and ecotoxicity assessment

Antihypertensive drugs are among the most prescribed drugs. Olmesartan acid, of the sartan class, belongs to a relatively new generation of antihypertensive drugs called angiotensin II receptor blockers. There are very few studies on the presence and fate of sartans in the environment, despite them being marketed in huge quantities, metabolized in low percentages, and detected in wastewater and water bodies. This paper presents a study on the less abundant and more polar fractions that have been neglected in previous studies, which led to the isolation by chromatographic methods of thirteen degradation byproducts (DPs), six of which are new, identified by nuclear magnetic resonance and mass spectrometry. A mechanism of degradation from the parent drug was proposed. The ecotoxicity of olmesartan acid and identified compounds was evaluated in Aliivibrio fischeri bacteria and Raphidocelis subcapitata algae to assess acute and chronic toxicity. For 75% of the DPs, acute and chronic exposure to the compounds, at concentrations of 5 mg/L, inhibited population growth in the algae and decreased bioluminescence in the bacteria

Gene polymorphism in five target genes of immunosuppressive therapy and risk of development of preeclampsia

Pregnancy can be considered as an allogeneic transplant and preeclampsia can be seen as a failure of the acceptance mechanisms of this transplant as occurs in acute organ transplant rejection. Some genetic polymorphisms may be involved in its pathogenesis. Since the kidney is one of the organs mainly involved in preeclampsia, our study attempted to determine the frequencies of single nucleotide polymorphisms of DNA (SNP) in 3 genes (adenosine triphosphate-binding cassette sub-family B member 1 (ABCB1)/multi drug reactivity 1 (MDR1) gene, interleukin 10 gene and tumor necrosis factor \u3b1 gene) which are targets of immunosuppressive therapies and related to acute renal rejection. The study was an observational, monocentric, case-control study. We enrolled 20 women with severe preeclampsia and 10 women age-matched with regular pregnancy. Continuous variables were compared by the Student\u2019s t-test for independent variables or using the Mann-Whitney test depending on their distribution. We used Fisher test to compare categorical variables between cases and controls, while we used logistic regression model to evaluate which risk factor was associated with preeclampsia. Although there was no statistically significant difference between the two groups, we found different percentages of two of the polymorphisms considered (rs1045642 and rs2032582 in the gene ABCB1). Despite these results, our work may be helpful for future research to better understand the pathogenesis of preeclampsia

Chemical fate and genotoxic risk associated with hypochlorite treatment of nicotine

Nicotine, the main alkaloid of tobacco, is a non-prescription drug to which all members of a tobacco-smoking society are exposed either through direct smoke inhalation or through second-hand passive 'smoking'. Nicotine is also commercially available in some pharmaceutical products and is used worldwide as a botanical insecticide in agriculture. Nicotine dynamics in indoor and outdoor environments as well as the human excretions and the manufacturing process are responsible for its entry in the environment through municipal and industrial wastewater discharges. The presence of nicotine in surface and ground waters points out that it survives a conventional treatment process and persists in potable-water supplies. Complete removal of nicotine is instead reported when additional chlorination steps are used. In this paper a simulation of STP chlorination of nicotine and a genotoxic evaluation of its main degradation products are reported. Under laboratory conditions removal of nicotine seems not to be due to mineralization but to transformation in oxidized and chlorinated products. The by-products have been isolated after fractionation by diverse chromatographic procedures and their structures determined using mass spectrometry and H-1 and C-13 NMR spectroscopy. Preliminary genotoxic SOS Chromotests with Escherichia coil PQ37 evidence no toxicity of the products. (C) 2012 Elsevier B.V. All rights reserved

Distonia flessoria dell’arto superiore post-stroke evoluta in distonia estensoria, dopo inoculo di tossina botulinica

Introduzione - Descrizione di un caso clinico riguardante la comparsa di un atteggiamento posturale distonico estensorio di mano e polso dell\u2019arto superiore in una paziente emiplegica trattata con tossina botulinica per il controllo dell\u2019ipertono spastico flessorio dell\u2019arto. Presentazione del caso - Una donna caucasica di 59 anni affetta da emiplegia spastica sinistra \ue8 stata ricoverata presso l\u2019U.O. di Riabilitazione Specialistica dell\u2019Ospedale San Carlo di Milano. Il disturbo motorio era insorto xxx giorni prima in seguito a una vasta emorragia cerebrale intraparenchimale fronto-parietale destra. La paziente era stata sottoposta a craniotomia decompressiva e successiva cranioplastica. All\u2019ingresso la paziente si presentava con ridotta vigilanza, neglect ed emiplegia spastica sinistra. Successivamente il quadro neuromotorio migliorava progressivamente con la comparsa di iniziale motilit\ue0 artuale sinistra e miglioramento del quadro cognitivo e del neglect. L\u2019arto superiore sinistro presentava un marcato ipertono spastico associato a dolore e impotenza funzionale (atteggiamento in schema flessorio con mano chiusa a pugno, gomito flesso e spalla addotta). Circa tre mesi dopo era effettuato un trattamento ecoguidato della spasticit\ue0 focale con tossina botulinica A (muscolo pronatore rotondo, flessore superficiale e profondo delle dita, flessori radiale e ulnare del carpo, bicipite brachiale), ottenendo un miglioramento clinico e funzionale. Rivalutata dopo cinque mesi, la paziente presentava un buon controllo dell\u2019ipertono flessorio con presenza di motilit\ue0 attiva antigravitaria ai vari fulcri dell\u2019arto superiore. Si evidenziava, per\uf2, la comparsa di una distonia focale a livello della muscolatura estensoria del polso e della mano sinistri che rimanevano atteggiati in supinazione ed estensione con conseguente compromissione delle attivit\ue0 funzionali potenzialmente possibili. Era pertanto effettuato un altro trattamento ecoguidato focale con tossina botulinica A (Dysport, fl 500 UI) nei muscoli estensore radiale lungo carpo (150 UI), estensore radiale breve del carpo (150 UI), estensore comune delle dita (100 UI) ed estensore ulnare del carpo (100 UI). Era poi effettuato un trattamento fisioterapico mirato con stretching muscolare e rieducazione neuromotoria e propriocettiva, associato a ciclo di terapia occupazionale per il recupero delle attivit\ue0 funzionali. La paziente era valutata clinicamente e con test funzionali, prima e dopo il trattamento. Conclusioni - Il caso descrive una paziente che, in seguito a un\u2019emorragia cerebrale, ha sviluppato un\u2019emiplegia con spasticit\ue0 flessoria dell\u2019arto superiore sinistro. Dopo il trattamento con tossina botulina dei muscoli flessori, si era evidenziata una riduzione della spasticit\ue0 flessoria, contestualmente associata alla comparsa di una spasticit\ue0 estensoria, in un contesto di lento e progressivo recupero della motilit\ue0 attiva. Il trattamento con tossina botulinica ha permesso il controllo degli aspetti posturali distonici e un recupero funzionale significativo dell\u2019arto superiore plegico nella paziente esaminata, dimostrandosi efficace nel migliorare la funzionalit\ue0 dell\u2019arto superiore in caso di distonia focale posturale post-emorragia cerebrale. Attualmente sono in corso controlli clinici seriati al fine di valutare la persistenza dell\u2019efficacia del trattamento. Bibliografia - 1. Muhammad Umar, Tahir Masood, Mazhar Badshah. Post-Stroke Focal Hand Dystonia; Botulinum Toxin And Task Specific Training. The Professional Medical Journal (www.theprofesional.com) - 2. Nakamura Y. Botulinum toxin for treatment of the focal dystonia. 2017 Jul 29;57(7):367-72. doi: 10.5692/clinicalneurol.cn-001018. Epub 2017 Jul 24