Characterizing the shape of anatomical structures with Poisson's equation

Poisson's equation, a fundamental partial differential equation in classical physics, has a number of properties that are interesting for shape analysis. In particular, the equipotential sets of the solution graph become smoother as the potential increases. We use the displacement map, the length of the streamlines formed by the gradient field of the solution, to measure the "complexity" (or smoothness) of the equipotential sets, and study its behavior as the potential increases. We believe that this function complexity = f(potential), which we call the shape characteristic, is a very natural way to express shape. Robust algorithms are presented to compute the solution to Poisson's equation, the displacement map, and the shape characteristic. We first illustrate our technique on two-dimensional synthetic examples and natural silhouettes. We then perform two shape analysis studies on three-dimensional neuroanatomical data extracted from magnetic resonance (MR) images of the brain. In the first study, we investigate changes in the caudate nucleus in Schizotypal Personality Disorder (SPD) and confirm previously published results on this structure. In the second study, we present a data set of caudate nuclei of premature infants with asymmetric white matter injury. Our method shows structural shape differences that volumetric measurements were unable to detect.     

Ultrastructural alterations during embryonic rats' lung development caused by ozone

Ozone (O3) is an oxidizing agent that acts on phospholipids, proteins and sugars of cellular membranes producing free radicals, which cause oxidative damages. The O3 exposure has been used as a model to study oxidative stress, in which the respiratory airways represent the entrance to the organism. In this study, ultrastructural alterations were identified at the bronchiolar level during the intra-uterine lung development, using an O3 exposure model in pregnant rats during 18, 20 and 21 days of gestation. Twelve pregnant Wistar rats, six controls and six exposed to 1 ppm O3 inhalation during 12 h per day, were used. The rats were sacrificed at gestational days 18, 20 and 21; the fetuses were obtained and their lungs dissected. The ultrastructural analysis evidenced swollen mitochondria, cytoplasmic vacuolization of the epithelial cells and structural disorder caused by the oxidative stress. At gestation day 20, flake-off epithelial cells and laminar bodies in the bronchiolar lumen were observed. In the 21-gestation-day group, the mitochondria were edematous and their cristae were disrupted by the damage caused in mitochondrial membranes.     

Aging of packaging films in the marine environment

The present article examines the aging behavior in the marine environment of some representative flexible plastic packaging films including supermarket plastic bags made of low‐density polyethylene (LDPE), polyethylene terephthalate (PET) films, polyamide–polyethylene (PAPE) films and films made of a material under the commercial name Mater‐Bi®. The effect of aging was studied by Fourier transform infrared spectroscopy, differential scanning calorimetry, and tension including creep‐recovery tests. The polyethylene films were not hydrolytically degraded during aging in seawater, and the polyethylene chains did not undergo any substantial chain scission. The PET films after exposure for 8 months in seawater did not suffer any substantial degradation, and the PET chains were plasticized by the absorbed water. After prolonged exposure to seawater (12 months), the PET films started to degrade. The PAPE film underwent extensive chemical and structural changes during aging in seawater as result of plasticization and hydrolysis of the polyamide (PA) component in combination with an eventual loosening of the tie layer. Mater‐Bi® film underwent a severe deterioration during aging in seawater due to the hydrolysis of the starch and polycaprolactone components. All films exhibited a marked degradation of their tensile properties after exposure to accelerating aging conditions under UV radiation. POLYM. ENG. SCI., 59:E432–E441, 2019. © 2019 Society of Plastics Engineers     

Absence of ferromagnetism in ferroelectric Mn-doped BaTiO3 nanofibers

Pure and Mn-doped barium titanate nanofibers were synthesized by the electrospinning method. The morphology, microstructure and crystal structure of as-spun and annealed composite nanofibers were characterized by scanning electron microscopy and transmission electron microscopy. After annealing at 850°C, we obtain nanofibers a few μm long, formed by nanoparticles of irregular shape with sizes around 100 nm. X-ray diffraction and Raman spectroscopy show that a partial phase transition from tetragonal to hexagonal takes place for BaTi_0.90Mn_0.10O₃. Vibrational phonon modes were calculated for BaTiO₃ within the density functional theory (DFT) framework. Ferroelectricity has been probed on pure and Mn-doped BaTiO₃ nanofibers, by means of piezoresponse force microscopy in an atomic force microscope, confirming the polar domain switching behavior of the fibers. The measured piezoelectric coefficient d₃₃ were 31 and 22 pm/V for BaTiO₃ and BaTi_0.90Mn_0.10O₃. Magnetic properties of the samples were probed in a superconducting quantum interference device. Diamagnetic and paramagnetic behaviors were found in pure and Mn-doped samples, respectively.     

Environmental justice implications of reduced reporting requirements of the Toxics Release Inventory Burden Reduction Rule

This paper presents a geographic information systems (GIS) methodology for evaluating the environmental justice implications of the Toxics Release Inventory (TRI) Burden Reduction Rule, which was issued by the U.S. Environmental Protection Agency in December 2006 under the authority of the Emergency Planning and Community Right-to-Know Act of 1986. This rule exempts industrial facilities meeting certain higher reporting thresholds from filing detailed reports about the quantities of chemicals used, released, or managed as waste. Our analytical approach examines demographic characteristics within a 1, 3, and 5 km buffer around a georeferenced facility location, applied on a national, regional, and state scale. The distance-based GIS analysis demonstrates that TRI facilities that are eligible for reduced reporting are more likely to be located in proximity to communities with a higher percentage of minority and low-income residents. The differences are more pronounced for percent minority and percent minority under age 5 in comparison to percent in poverty, and the demographic differences are more apparent at increasingly resolved geographic scales.     

The PQQ-alcohol dehydrogenase of Gluconacetobacter diazotrophicus

The oxidation of ethanol to acetic acid is the most characteristic process in acetic acid bacteria.Gluconacetobacter diazotrophicus is rather unique among the acetic acid bacteria as it carries out nitrogen fixation and is a true endophyte, originally isolated from sugar cane. Aside its peculiar life style, Ga. diazotrophicus, possesses a constitutive membrane-bound oxidase system for ethanol. The Alcohol dehydrogenase complex (ADH) of Ga. diazotrophicus was purified to homogeneity from the membrane fraction. It-exhibited two subunits with molecular masses of 71.4 kDa and 43.5 kDa. A positive peroxidase reaction confirmed the presence of cytochrome c in both subunits. Pyrroloquinoline quinone (PQQ) of ADH was identified by UV-visible light and fluorescence spectroscopy. The enzyme was purified in its full reduced state; potassium ferricyanide induced its oxidation. Ethanol or acetaldehyde restored the full reduced state. The enzyme showed an isoelectric point (pI) of 6.1 and its optimal pH was 6.0. Both ethanol and acetaldehyde were oxidized at almost the same rate, thus suggesting that the ADH complex of Ga. diazotrophicus could be kinetically competent to catalyze, at least in vitro, the double oxidation of ethanol to acetic acid.     

Towards Efficient Nonenzymatic DNA Ligation: Comparing Key Parameters for Maximizing Ligation Rates and Yields with Carbodiimide Activation**

Chemical ligation is an important tool for the generation of synthetic DNA structures, which are used for a wide range of applications. Surprisingly, reported chemical ligation yields can range from 30 to 95 % for the same chemical activating agent and comparable DNA structures. We report a systematic study of DNA ligation by using a well-defined bimolecular test system and a water-soluble carbodiimide (EDC) as a phosphate-activating agent. Our results emphasize the interplay between template-substrate complex stability and the rates of the chemical steps of ligation, with 3′ phosphate substrates providing yields near 100 % after 24 hours for particularly favorable reaction conditions. Ligation rates are also shown to be sensitive to the identity of the base pairs flanking a nick site, with as much as threefold variation. Finally, the observation that DNA substrates are modified by EDC at rates that can be comparable with ligation rates emphasizes the importance of considering side reactions when designing protocols to maximize ligation yields.     

An Alcohol Dehydrogenase from the Short-Chain Dehydrogenase/Reductase Family of Enzymes for the Lactonization of Hexane-1,6-diol

Biocatalytic production of lactones, and in particular ϵ-caprolactone (CL), have gained increasing interest as a greener route to polymer building blocks, especially through the use of Baeyer–Villiger monooxygenases (BVMOs). Despite several advances in the field, BVMOs, however, still suffer several practical limitations. Alcohol dehydrogenase (ADH)-mediated lactonization of diols in turn has received far less attention and very few enzymes have been identified for the conversion of diols to lactones, with horse-liver ADH (HLADH) remaining the catalyst of choice. Screening of a diverse panel of ADHs, AaSDR-1, a member of the short-chain dehydrogenase/reductase family, was found to produce ϵ-caprolactone from hexane-1,6-diol. Moreover, cofactor regeneration by an NADH oxidase eliminated the requirement of co-substrates, yielding water as the sole by-product. Despite lower turnover frequencies as compared to HLADH, higher selectivity was found for the production of CL, with HLADH forming significant amounts of 6-hydroxyhexanoic acid and adipic acid through aldehyde dehydrogenation/oxidation of the gem-diol intermediates. Also, CL yield were shown to be dependent on buffer choice, as structural elucidation of a Tris adduct confirmed the buffer amine to react with aliphatic aldehydes forming a Schiff-base intermediate which through further ADH oxidation, forms a tricyclic acetal product.     

Cover Image,Volume 99, Issue 13

The cover image is based on the Research Article Study of the physical and chemical changes during the maturation of three cocoa clones, EET8, CCN51, and ICS60 by Andrés F Cubillos Bojacá et al., DOI: 10.1002/jsfa.9882 . Cover image ©AGROSAVIA Images.