Machine-learning of atomic-scale properties based on physical principles

We briefly summarize the kernel regression approach, as used recently in materials modelling, to fitting functions, particularly potential energy surfaces, and highlight how the linear algebra framework can be used to both predict and train from linear functionals of the potential energy, such as the total energy and atomic forces. We then give a detailed account of the Smooth Overlap of Atomic Positions (SOAP) representation and kernel, showing how it arises from an abstract representation of smooth atomic densities, and how it is related to several popular density-based representations of atomic structure. We also discuss recent generalisations that allow fine control of correlations between different atomic species, prediction and fitting of tensorial properties, and also how to construct structural kernels---applicable to comparing entire molecules or periodic systems---that go beyond an additive combination of local environments

Reducing the development gaps between regions in Poland with the use of European Union funds

The paper evaluates the processes of regional income convergence in Poland. This new research approach involves an attempt to assess the process of convergence from the point of view of development gaps. Six key development gaps were considered in the region of Eastern Poland, which is a singular case, significantly different from other regions. A dynamic panel data model was applied to investigate the impact of EU funds on the progress made towards closing these development gaps. Among the analysed development gaps, only the structural gap was not reduced in the period 2004–2015. Studies have also revealed the different impact of structural funds on each category of development gaps (a positive impact on reducing the regional transport accessibility gap and the investment gap, but negative – on reducing the innovation gap). Research has suggested the need for a change in the structure of using EU funds in the period 2014–2020 to favour stronger support for entrepreneurship and the creation of new jobs. Greater stimulation of the economic structure of peripheral regions has been proposed as the prerequisite for the future reduction in the discrepancies between regions and for the intensification of convergence. First published online 2 April 201

Jan Dyszynski - metrologist and man of passions

W artykule przedstawiono sylwetkę i dorobek organizatora Zakładu Miernictwa Elektrycznego na Politechnice Rzeszowskiej – Jana Dyszyńskiego. Jan Dyszyński urodził się w 1922 we Lwowie. Uczęszczał do Zakładu NaukowoWychowawczego Ojców Jezuitów w Chyrowie. Był absolwentem pierwszego powojennego semestru Wydziału Elektrycznego Politechniki Śląskiej. W roku 1973 został pierwszym Kierownikiem Zakładu Miernictwa Elektrycznego na Politechnice Rzeszowskiej. Pan Jan był nie tylko niezapomnianym nauczycielem, ale również współpracownikiem i niestrudzonym turystą. Zmarł 7 stycznia 2009 w Jarosławiu.Jan Dyszynski was born in 1922 in Lwow. He was initially a pupil at the famous Jesuit Fathers Secondary School in Chyrow, but after the outbreak of the Second World War and the German occupation of Poland, he had to complete his education covertly. After the war ended (1945) he attended the very first term of the newly opened Silesian Technical University, graduating from the Faculty of Electrical Engineering in 1951. He then worked there before moving on to the Rzeszow University of Technology, where he not only lectured in the Faculty of Electricity and Computer Engineering, but was also instrumental in founding the Electrical Measurements Laboratory. The university owes him a huge debt for both, and he will always be remembered as an excellent tutor, dedicated colleague, and avid mountain hiker. He passed away on 7 January 2009 in Jaroslaw

Evaluation of the dynamic balance in women after unilateral mastectomy and external breast prosthesis – a pilot study

Celem pracy było określenie, czy protezowanie zewnętrzne w postaci wkładek silikonowych do biustonosza wpływa na równowagę dynamiczną kobiet po mastektomii jednostronnej. Grupę badaną stanowiło 30 kobiet po jednostronnej mastektomii całkowitej w wieku od 40 do 73 lat (średnio: 57,5±8,4), średni czas od zabiegu operacyjnego wynosił 6,5±5,0 lat. Do zbadania równowagi dynamicznej posłużono się platformą balansową „Libra” firmy Easytech. Wyniki: Z przeprowadzonych badań wynika, że bez względu na czas, jaki upłynął od mastektomii, noszenie protezy piersi nie ma wpływu na równowagę dynamiczną kobiet po tym zabiegu, podczas gdy wiek pacjentek oraz ograniczenie ruchomości obręczy barkowej mają istotne znaczenie dla reakcji równoważnych.The aim of the study was to determine whether external prosthesis in the form of bra silicone inserts affects the dynamic balance in women after unilateral mastectomy. The study group was 30 women after unilateral mastectomy, in age between 40-73 years (average age was 57,5±8,4), average time from operation was 6,5±5,0 y. To explore the dynamic balance, the balance platform „Libra” (Easytech) was used. Results: the study showed that the period of wearing of the prosthesis had no impact on dynamic balance in women after mastectomy, whereas patients` age and limited mobility of the shoulder girdle was of considerable significance to balance responses

Mössbauer Studies of Pathological Brain Tissues Affected by PSP Disease

Progressive supranuclear palsy (PSP) is a neurological disease leading to the damage of two brain structures: globus pallidus and substantia nigra. The pathomechanism of this disease is still unknown. One of the hypotheses is oxidative stress. Oxidative stress is an overproduction of free radicals in which iron may be involved. To verify the hypothesis that iron may play a role in PSP we performed the Mössbauer comparative studies of pathological and control tissues. Ten samples of PSP globus pallidus, ten samples of PSP substantia nigra, twelve control samples of globus pallidus and nine control samples of substantia nigra were measured in a conventional Mössbauer spectrometer at 90 K. The Mössbauer spectra obtained for all samples showed well resolved doublets with an isomer shift of 0.46±0.01 mm/s and a quadruple splitting of 0.70±0.02 mm/s. The main difference in these preliminary studies was in the concentration of iron. The concentration in PSP samples in globus pallidus was found to be 257±19 ng/mg tissue, compared to 183±22 ng/mg in control samples and 301±26 ng/mg in substantia nigra compared to 188±22 ng/mg in control samples. Taking into consideration that we did not notice any substantial increase in iron concentration in Parkinsonian substantia nigra compared to control substantia nigra, but a substantial increase in both substantia nigra and globus pallidus in PSP, may suggest that iron plays a different role in the pathomechanisms of PSP and of Parkinson's disease

Knowledge and Acceptability of Anal Cytology Screening Among Women

Medical providers have initiated anal cytology screening among women to detect anal neoplasia early. Lack of knowledge of the human papillomavirus (HPV) and anticipated screening discomfort may limit patient acceptance. This study investigates attitudes toward anal cytology screening among women. Women seen for gynecologic care at an urban university medical center were invited to complete an anonymous survey assessing their understanding of HPV and interest in anal cytology screening. Subjects reported the level of pain, discomfort, and embarrassment they expected from screening on a 100-mm visual analog scale. Four hundred four women with mean (SD) age 36 (13) years met criteria for participation. Three hundred thirty-five women reported their race: 52% were white and 36% were African American. Three hundred forty-eight women reported their ethnicities: 76% were Hispanic and 12% were Haitian. Twenty-two percent had never heard of HPV, 57% were not familiar with anal cytology screening, 67% acknowledged that screening was very helpful in detecting anal neoplasia early, and 28% were very interested in undergoing screening. Mean (SD) level of anticipated pain, discomfort, and embarrassment during screening was 62 (32), 68 (30), and 58 (34) mm, respectively. Level of familiarity with anal cytology screening (p < .001), belief in its utility in detecting anal neoplasia (p < .001), and level of anticipated pain (p = .004) were significant predictors of acceptability. Medical providers should improve counseling about anal cytology screening among at-risk women to familiarize them with the procedure, describe its role in detecting anal neoplasia, and address expectations surrounding pain to increase its acceptability

Iron in Alzheimer's and Control Hippocampi - Mössbauer, Atomic Absorption and ELISA Studies

Alzheimer disease is a neurodegenerative process of unknown mechanism taking place in a part of the brain - hippocampus. Oxidative stress and the role of iron in it is one of the suggested mechanisms of cells death. In this study several methods were used to assess iron and iron binding compounds in human hippocampus tissues. Mössbauer spectroscopy was used for identification of the iron binding compound and determination of total iron concentration in 12 control and one Alzheimer disease sample of hippocampus. Mössbauer parameters obtained for all samples suggest that most of the iron is ferritin-like iron. The average concentration of iron determined by Mössbauer spectroscopy in control hippocampus was 45±10 ng/mg wet tissue. The average concentration of iron in 10 Alzheimer disease samples determined by atomic absorption was 66±13 ng/mg wet tissue. The concentration of H and L chains of ferritin in 20 control and 10 AD hippocampi was assessed with enzyme-linked immuno-absorbent assay. The concentration of H and L ferritin was higher in Alzheimer disease compared to control (19.36±1.51 vs. 5.84±0.55 ng/μg protein for H, and 1.39±0.25 vs. 0.55±0.10 for L). This 3-fold increase of the concentration of ferritin is accompanied by a small increase of the total iron concentration

Regional Innovation and Research Policy Outlook: Policy Practices in Eight European Regions

This publication is part of a project called 'Practical Regional Research and Innovation policy in Action. The Efficient Tools for Regional Catching-up in New Member States'