Catalyst design using artificial intelligence: SO2 to SO3 case study

Catalyst design is key to the improvement of chemical process efficiency. The required work for the development of new catalysts can be supported through the proper application of artificial intelligence to identify optimal compositions. A generic methodology for the application of machine learning to catalysis research is therefore outlined in this work. The catalytic oxidation of SO₂ was used to exemplify the first iteration of this methodology. 1784 data points from 31 published papers were compiled into a databank. The inlet SO₂ concentration ranged from 0 to 66 mol%. An artificial neural network (ANN) was trained on the databank in order to predict SO₂ conversion based on the catalyst composition and the reactor operating conditions (temperature, pressure, catalyst mass: volumetric flowrate ratio (w/v), and feed composition). The model achieved a root-mean-square error of 6.6%. A preliminary screening step identified 3:1 V-Mg/SiO₂ catalysts as exhibiting high conversion at 648 K. A multi-objective optimization was then performed on a single catalyst to identify solutions exhibiting high conversion and high productivity at 648 K while minimizing the catalyst cost. The optimal solution was predicted to be a 2.9 wt% V/0.2 wt% Mg/SiO₂ catalyst operating at a w/v of 7.49 kg-cat · s/m³ STP, achieving 100% SO₂ conversion with a material cost among the bottom third of cost values. Artificial intelligence can then be employed to extract useful knowledge from published catalytic data and orient future search for novel catalyst development.     

Formation and emission of hydrogen chloride in indoor air

To improve our understanding of chlorine chemistry indoors, reactive chlorine species such as hydrogen chloride (HCl) must be analyzed using fast time‐response measurement techniques. Although well studied outdoors, sources of HCl indoors are unknown. In this study, mixing ratios of gaseous HCl were measured at 0.5 Hz in the indoor environment using a cavity ring‐down spectroscopy (CRDS) instrument. The CRDS measurement rate provides a major advance in observational capability compared to other established techniques. Measurements of HCl were performed during three types of household activities: (a) floor exposure to bleach, (b) chlorinated and nonchlorinated detergent use in household dishwashers, and (c) cooking events. Surface application of bleach resulted in a reproducible increase of 0.1 ppbv in the affected room. Emissions of HCl from automated dishwashers were observed only when chlorinated detergents were used, with additional HCl emitted during the drying cycle. Increased mixing ratios of HCl were also observed during meal preparation on an electric element stovetop. These observations of HCl derived from household activities indicate either direct emission or secondary production of HCl via chlorine atoms is possible. Calculations of photolysis rate constants of chlorine atom precursors provide evidence that photolysis may contribute to indoor HCl levels.     

Modelling of thermal cracking effects in a two-phase concrete-like solid — a parametric investigation

Incompatibility of the physical properties of concrete constituents — the aggregate and the cement paste — gives rise to microcracking when the material is cooled to very low temperatures. The phenomenon is complex and affected by a large number of factors. An analytical model of the cracking process could be instrumental in identifying parameters for experimental investigation. A preliminary study is presented, which models concrete as a two-phase medium consisting of the coarse aggregate as inclusions in the mortar matrix. A simplified finite element procedure is employed to evaluate the effects of four parameters on crack initiating temperature and on crack volume. The parameters include two physical properties — thermal expansion coefficient and elastic modulus — and two mix factors — inclusion/matrix volume fraction and inclusion particle size. Thermal coefficient and inclusion volume fraction emerge as the major parameters affecting the fracture process, but the relationship of the two mix factors is complex.     

Dreams and reality monitoring.

Exp I tested the counterintuitive prediction that memories for one's own dreams should not be particularly easy to discriminate from memories for someone else's dreams. 10 pairs of undergraduate and graduate students reported dreams to each other that they had either dreamed, read, or made up the night before. On a test requiring them to discriminate events they had reported from those reported by their partner, Ss had more difficulty with real dreams than with dreams they read or made up. Data from 10 new pairs of Ss in Exp II provide evidence that real dreams do not simply produce overall weaker memories; the deficit for dreams was eliminated with more time to respond and with more detailed cues. In addition, Ss' ratings of various characteristics of their memories (e.g., vividness, personal relevance) indicated that dreams were not generally weaker or impoverished. Results are interpreted within the framework for reality monitoring described by M. K. Johnson and C. L. Raye (1981). A comparison of recognition and recall indicated that dreams may leave persisting memories that are difficult to access via free recall. (21 ref) (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Forearm muscle oxygenation decreases with low levels of voluntary contraction

The purpose of our investigation was to determine if the near infrared spectroscopy technique was sensitive to changes in tissue oxygenation at low levels of isometric contraction in the extensor carpi radialis brevis muscle. Nine subjects were seated with the right arm abducted to 45 degrees, elbow flexed to 85 degrees, forearm pronated 45 degrees, and wrist and forearm supported on an armrest throughout the protocol. Altered tissue oxygenation was measured noninvasively with near infrared spectroscopy. The near infrared spectroscopy probe was placed over the extensor carpi radialis brevis of the subject's right forearm and secured with an elastic wrap. After 1 minute of baseline measurements taken with the muscle relaxed, four different loads were applied just proximal to the metacarpophalangeal joint such that the subjects isometrically contracted the extensor carpi radialis brevis at 5, 10, 15, and 50% of the maximum voluntary contraction for 1 minute each. A 3-minute recovery period followed each level of contraction. At the end of the protocol, with the probe still in place, a value for ischemic tissue oxygenation was obtained for each subject. This value was considered the physiological zero and hence 0% tissue oxygenation. Mean tissue oxygenation (+/-SE) decreased from resting baseline (100% tissue oxygenation) to 89 +/- 4, 81 +/- 8, 78 +/- 8, and 47 +/- 8% at 5, 10, 15, and 50% of the maximum voluntary contraction, respectively. Tissue oxygenation levels at 10, 15, and 50% of the maximum voluntary contraction were significantly lower (p < 0.05) than the baseline value. Our results indicate that tissue oxygenation significantly decreases during brief, low levels of static muscle contraction and that near infrared spectroscopy is a sensitive technique for detecting deoxygenation noninvasively at low levels of forearm muscle contraction. Our findings have important implications in occupational medicine because oxygen depletion induced by low levels of muscle contraction may be directly linked to muscle fatigue.     

Mental health care benefits and perceptions of health insurance agents.

Many professionals play a role in evaluating and defining health service coverage in the current marketplace. It is useful to professional psychologists to understand how their perceptions of the current coverage of mental health services are similar to or different from those of other professionals. The authors examined the views of health insurance agents. Both psychologists and insurance agents agreed that, mental health benefits were adequate to effectively treat mild mental health problems, coverage was inadequate to treat major mental illness. Psychologists and insurance agents differed in their perceptions of whether patients and therapists used benefits unnecessarily. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Desmoid tumor of the thoracic wall. A case manifesting as painful stiffness of the shoulder

BACKGROUND: Desmoid tumors are uncommon fibromatous tumors arising from musculoaponeurotic tissue characterized by spindle cell fibroblast and myofibroblast proliferation. The cause is unknown (trauma, hormonal factors, genetic anomaly...). Locally invasive, they tend to recur increasing morbidity or even mortality. CASE REPORT: Stiff shoulder resulting from blockage of the scapulothoracic articulation was the inaugural sign. Three-phase bone scintigraphy demonstrated early uptake in the soft tissue in contact with the scapula. Magnetic resonance imaging and biopsy confirmed the diagnosis of desmoid tumor. Complete resection was performed. No adjuvant radiotherapy nor hormone treatment were given since no antiestrogen receptor antibodies were identified on the surgical specimen. DISCUSSION: The clinical manifestation (stiff shoulder) and the scapular localization observed in this case are unusual for desmoid tumors. Initially tendinopathy of the shoulder, acromio-clavicular arthropathy and capsular retraction of the shoulder joint had been entertained. Early diagnosis and wide surgical resection are indicated in desmoid tumors.     

Quality enhancements of digital outline fonts

Digital fonts are easily available today and their use has become widespread. Nevertheless, the visual quality of printed and displayed text and the technical quality of digital typefaces are often unsatisfactory. The foremost reason for this situation is that font manufacturing systems manipulate font representations through low-level operations. In this paper we examine several aspects of font quality, and present a method for enhancing the quality of a typeface given in today's standard representation, the outline (boundary) representation. The method is based on the usage of high-level typographic features, and includes enhancements to both individual glyphs and complete fonts. Glyph enhancements include elimination of redundant points, insertion of essential points, corrections to contour orientations and inter-penetrations, and vertical and horizontal coherence. Font enhancements include regularization of font weights and sizes, serif unification, and feature extraction and discrimination. Our method is comprised of several algorithms that have been implemented in a commercial font manufacturing system, achieving enhanced quality of the fonts produced.     

How to construct constant-round zero-knowledge proof systems for NP

Constant-round zero-knowledge proof systems for every language in are presented, assuming the existence of a collection of claw-free functions. In particular, it follows that such proof systems exist assuming the intractability of either the Discrete Logarithm Problem or the Factoring Problem for Blum integers.