Predicting Material Properties: Applications of Multi-Scale Multiphysics Numerical Modeling to Transport Problems in Biochemical Systems and Chemical Process Engineering

Material properties are used in a wide variety of theoretical models of material behavior. Descriptive properties quantify the nature, structure, or composition of the material. Behavioral properties quantify the response of the material to an imposed condition. The central question of this work concerns the prediction of behavioral properties from previously determined descriptive properties through hierarchical multi-scale, multiphysics models implemented as numerical simulations. Applications covered focus on mass transport models, including sequential enzyme-catalyzed reactions in systems biology, and an industrial chemical process in a common reaction medium

Reducing Biomass Recalcitrance by Heterologous Expression of a Bacterial Peroxidase in Tobacco (\u3cem\u3eNicotiana benthamiana\u3c/em\u3e)

Commercial scale production of biofuels from lignocellulosic feed stocks has been hampered by the resistance of plant cell walls to enzymatic conversion, primarily owing to lignin. This study investigated whether DypB, the lignin-degrading peroxidase from Rodococcus jostii, depolymerizes lignin and reduces recalcitrance in transgenic tobacco (Nicotiana benthamiana). The protein was targeted to the cytosol or the ER using ER-targeting and retention signal peptides. For each construct, five independent transgenic lines were characterized phenotypically and genotypically. Our findings reveal that expression of DypB in the cytosol and ER does not affect plant development. ER-targeting increased protein accumulation, and extracts from transgenic leaves showed higher activity on classic peroxidase substrates than the control. Intriguingly, in situ DypB activation and subsequent saccharification released nearly 200% more fermentable sugars from transgenic lines than controls, which were not explained by variation in initial structural and non-structural carbohydrates and lignin content. Pyrolysis-GC-MS analysis showed more reduction in the level of lignin associated pyrolysates in the transgenic lines than the control primarily when the enzyme is activated prior to pyrolysis, consistent with increased lignin degradation and improved saccharification. The findings reveal for the first time that accumulation and in situ activation of a peroxidase improves biomass digestibility

Conformable and robust microfluidic force sensors to enable precision joint replacement surgery

Balancing forces within weight-bearing joints such as the hip during joint replacement is essential for implant longevity. Minimising implant failure and the corresponding need for expensive and difficult revision surgery is vital to both improve the quality of life of the patient and lighten the burden on overstretched healthcare systems. However, balancing forces during total hip replacements is currently subjective and entirely dependent on surgical skill, as there are no sensors currently on the market that are capable of providing quantitative force feedback within the small and complex geometry of the hip joint. Here, we solve this unmet clinical need by presenting a thin and conformable microfluidic force sensor, which is compatible with the standard surgical procedure. The sensors are fabricated via additive manufacturing, using a combination of 3D and aerosol-jet printing. We optimised the design using finite element modelling, then incorporated and calibrated our sensors in a 3D printed model hip implant. Using a bespoke testing rig, we demonstrated high sensitivity at typical forces experienced following implantation of hip replacements. We anticipate that these sensors will aid soft tissue balancing and implant positioning, thereby increasing the longevity of hip replacements. These sensors thus represent a powerful new surgical tool for a range of orthopaedic procedures where balancing forces is crucial

PERFIL DAS PACIENTES DO AMBULATÓRIO DA PÓS GRADUAÇÃO EM VÍDEO HISTEROSCOPIA DA FACULDADE DE CIÊNCIA MÉDICAS DE MINAS GERAIS

RESUMO: A Vídeo Histeroscopia diagnóstica tornou-se uma ferramenta valiosa e importante para o ginecologista ao permitir a avaliação direta da cavidade endometrial e o diagnóstico das doenças proliferativas e ou neoplásicas. Alguns anos atrás, isso só poderia ser realizado através de procedimentos cegos e pouco tolerado pelas pacientes. A Histeroscopia é uma ferramenta cada vez mais utilizada, o que torna a avaliação do perfil epidemiológico das pacientes submetidas a esse procedimento uma nuance importante a ser estudada. Logo, o objetivo desse trabalho é avaliar o perfil epidemiológico das pacientes atendidas pela equipe da Pós-graduação em Vídeo Histeroscopia da FCMMG no ambulatório de vídeo Histeroscopia do Hospital São José em Belo Horizonte. Este trabalho trata-se de estudo retrospectivo realizado com análise de prontuários das pacientes atendidas no período entre outubro e dezembro de 2012, e submetidas a vídeo Histeroscopia ambulatorial durante os módulos do curso de pós graduação. Os exames são realizados em caráter eminentemente ambulatorial pelos pós-graduandos sob supervisão direta dos professores. São usados equipamentos com ópticas de 2,9 mm, camisas diagnósticas e de Betochi, com preferência pela última, meio de distensão soro fisiológico, infundido com bomba Histeromat. A técnica utilizada inclui vaginoscopia, sem uso do espéculo ou pinçamento do colo. O espéculo e a instrumentalização do colo foram utilizados caso houvesse alguma dificuldade no acesso ao colo durante o procedimento. Todos os procedimentos foram realizados sem anestesia. Foram incluídos 203 pacientes encaminhadas a vídeo Histeroscopia ambulatorial. A idade média das pacientes foi de 49,7 anos, variando de 17 a 81 anos. Média de paridade 3,2 filhos e considerando sua prole definida em 70,9 % (144 pacientes). Em relação à escolaridade do grupo estudado, a maioria dos pacientes não tinha concluindo o segundo grau, 67,3%, com apenas 5 pacientes relatando ter completado nível superior (2,6%). Relatavam comorbidades à anamnese 115 pacientes (56,6%), sendo as mais relatadas Hipertensão Arterial Sistêmica (HAS) e diabetes, relatadas por 69 e 20 pacientes respectivamente. Todas as pacientes apresentavam exames ecográficos anteriores. As conclusões principais das ecografias se distribuíam: exame normal 16 pacientes (7,8%), miomas em 58 (28,5%), espessamento endometrial em 67 (33%), pólipos em 66 (32,5%). Após avaliação inicial tiveram indicação confirmada e foram submetidas ao procedimento 185 pacientes. Em ordem de frequência, foram levantadas como principais indicações: espessamento endometrial à ecografia (34,0%), sangramento uterino anormal (28,6%) e infertilidade (10,8%). Todas as pacientes deste grupo concluíram seus exames histeroscópicos e os achados identificados foram: cavidade sem alterações 64 pacientes (34,5%), espessamento focal do endométrio 17 (9,1%), sinéquias 9 (4,8%), pólipos 82 (44,3%) e miomas 13 (7,0%). As pacientes atendidas no referido ambulatório de Histeroscopia tiveram todos os atendimentos iniciais em unidade básica de saúde e em sua ampla maioria tiveram confirmada a indicação para o procedimento. Mesmo realizados dentro do contexto de ensino, a efetiva realização do exame com definição diagnóstica para a cavidade uterina foi possível para todo o grupo estudado. Seus achados apontam para uma significativa diminuição da necessidade de procedimentos cirúrgicos hospitalares uma vez que um grande número de pacientes apresentaram exames normais ou alterações focais que tem seu diagnóstico e tratamento completamente efetivados, através de biópsias e pequenas intervenções realizadas durante a Histeroscopia ambulatorial.PALAVRAS-CHAVE: perfil epidemiológico, vídeo Histeroscopia ambulatorial, pós graduaçã

A chemical survey of exoplanets with ARIEL

Thousands of exoplanets have now been discovered with a huge range of masses, sizes and orbits: from rocky Earth-like planets to large gas giants grazing the surface of their host star. However, the essential nature of these exoplanets remains largely mysterious: there is no known, discernible pattern linking the presence, size, or orbital parameters of a planet to the nature of its parent star. We have little idea whether the chemistry of a planet is linked to its formation environment, or whether the type of host star drives the physics and chemistry of the planet’s birth, and evolution. ARIEL was conceived to observe a large number (~1000) of transiting planets for statistical understanding, including gas giants, Neptunes, super-Earths and Earth-size planets around a range of host star types using transit spectroscopy in the 1.25–7.8 μm spectral range and multiple narrow-band photometry in the optical. ARIEL will focus on warm and hot planets to take advantage of their well-mixed atmospheres which should show minimal condensation and sequestration of high-Z materials compared to their colder Solar System siblings. Said warm and hot atmospheres are expected to be more representative of the planetary bulk composition. Observations of these warm/hot exoplanets, and in particular of their elemental composition (especially C, O, N, S, Si), will allow the understanding of the early stages of planetary and atmospheric formation during the nebular phase and the following few million years. ARIEL will thus provide a representative picture of the chemical nature of the exoplanets and relate this directly to the type and chemical environment of the host star. ARIEL is designed as a dedicated survey mission for combined-light spectroscopy, capable of observing a large and well-defined planet sample within its 4-year mission lifetime. Transit, eclipse and phase-curve spectroscopy methods, whereby the signal from the star and planet are differentiated using knowledge of the planetary ephemerides, allow us to measure atmospheric signals from the planet at levels of 10–100 part per million (ppm) relative to the star and, given the bright nature of targets, also allows more sophisticated techniques, such as eclipse mapping, to give a deeper insight into the nature of the atmosphere. These types of observations require a stable payload and satellite platform with broad, instantaneous wavelength coverage to detect many molecular species, probe the thermal structure, identify clouds and monitor the stellar activity. The wavelength range proposed covers all the expected major atmospheric gases from e.g. H2O, CO2, CH4 NH3, HCN, H2S through to the more exotic metallic compounds, such as TiO, VO, and condensed species. Simulations of ARIEL performance in conducting exoplanet surveys have been performed – using conservative estimates of mission performance and a full model of all significant noise sources in the measurement – using a list of potential ARIEL targets that incorporates the latest available exoplanet statistics. The conclusion at the end of the Phase A study, is that ARIEL – in line with the stated mission objectives – will be able to observe about 1000 exoplanets depending on the details of the adopted survey strategy, thus confirming the feasibility of the main science objectives.Peer reviewedFinal Published versio

The Fourteenth Data Release of the Sloan Digital Sky Survey: First Spectroscopic Data from the extended Baryon Oscillation Spectroscopic Survey and from the second phase of the Apache Point Observatory Galactic Evolution Experiment

The fourth generation of the Sloan Digital Sky Survey (SDSS-IV) has been in operation since July 2014. This paper describes the second data release from this phase, and the fourteenth from SDSS overall (making this, Data Release Fourteen or DR14). This release makes public data taken by SDSS-IV in its first two years of operation (July 2014-2016). Like all previous SDSS releases, DR14 is cumulative, including the most recent reductions and calibrations of all data taken by SDSS since the first phase began operations in 2000. New in DR14 is the first public release of data from the extended Baryon Oscillation Spectroscopic Survey (eBOSS); the first data from the second phase of the Apache Point Observatory (APO) Galactic Evolution Experiment (APOGEE-2), including stellar parameter estimates from an innovative data driven machine learning algorithm known as "The Cannon"; and almost twice as many data cubes from the Mapping Nearby Galaxies at APO (MaNGA) survey as were in the previous release (N = 2812 in total). This paper describes the location and format of the publicly available data from SDSS-IV surveys. We provide references to the important technical papers describing how these data have been taken (both targeting and observation details) and processed for scientific use. The SDSS website (www.sdss.org) has been updated for this release, and provides links to data downloads, as well as tutorials and examples of data use. SDSS-IV is planning to continue to collect astronomical data until 2020, and will be followed by SDSS-V.Comment: SDSS-IV collaboration alphabetical author data release paper. DR14 happened on 31st July 2017. 19 pages, 5 figures. Accepted by ApJS on 28th Nov 2017 (this is the "post-print" and "post-proofs" version; minor corrections only from v1, and most of errors found in proofs corrected

N-acetylcysteine reduces oxidative stress in sickle cell patients

Oxidative stress is of importance in the pathophysiology of sickle cell disease (SCD). In this open label randomized pilot study the effects of oral N-acetylcysteine (NAC) on phosphatidylserine (PS) expression as marker of cellular oxidative damage (primary end point), and markers of hemolysis, coagulation and endothelial activation and NAC tolerability (secondary end points) were studied. Eleven consecutive patients (ten homozygous [HbSS] sickle cell patients, one HbSβ0-thalassemia patient) were randomly assigned to treatment with either 1,200 or 2,400 mg NAC daily during 6 weeks. The data indicate an increment in whole blood glutathione levels and a decrease in erythrocyte outer membrane phosphatidylserine exposure, plasma levels of advanced glycation end-products (AGEs) and cell-free hemoglobin after 6 weeks of NAC treatment in both dose groups. One patient did not tolerate the 2,400 mg dose and continued with the 1,200 mg dose. During the study period, none of the patients experienced painful crises or other significant SCD or NAC related complications. These data indicate that N-acetylcysteine treatment of sickle cell patients may reduce SCD related oxidative stress

Targeting Ultrasmall Gold Nanoparticles with cRGD Peptide Increases the Uptake and Efficacy of Cytotoxic Payload

Cyclic arginyl-glycyl-aspartic acid peptide (cRGD) peptides show a high affinity towards αVβ3 integrin, a receptor overexpressed in many cancers. We aimed to combine the versatility of ultrasmall gold nanoparticles (usGNP) with the target selectivity of cRGD peptide for the directed delivery of a cytotoxic payload in a novel design. usGNPs were synthesized with a modified Brust-Schiffrin method and functionalized via amide coupling and ligand exchange and their uptake, intracellular trafficking, and toxicity were characterized. Our cRGD functionalized usGNPs demonstrated increased cellular uptake by αVβ3 integrin expressing cells, are internalized via clathrin-dependent endocytosis, accumulated in the lysosomes, and when loaded with mertansine led to increased cytotoxicity. Targeting via cRGD functionalization provides a mechanism to improve the efficacy, tolerability, and retention of therapeutic GNPs