cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Practical limitations of aerosol separation by a tandem differential mobility analyzer-aerosol particle mass analyzer
Creators: name: Radney, James G.
name: Zangmeister, Christopher D.
Publisher: name: Taylor & Francis
Year: 2016
Subjects: subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: Chemistry
subject: Earth and Environmental Sciences
subject: Biotechnology
subject: Cell Biology
subject: Physics
subject: Engineering
subject: Biochemistry

description: ABSTRACTA cavity ring-down spectrometer and condensation particle counter were used to investigate the limitations in the separation of singly and multiply charged aerosol particles by a tandem differential mobility analyzer (DMA) and aerosol particle mass analyzer (APM). The impact of particle polydispersity and morphology was investigated using three materials: nearly-monodisperse polystyrene latex nanospheres (PSL); polydisperse, nearly-spherical ammonium sulfate (AS) and polydisperse lacey fractal soot agglomerates. PSL and AS particles were easily resolved as a function of charge. For soot, the presence of multiply charged particles severely affects the isolation of the singly charged particles. In cases where the DMA-APM was unable to fully resolve the singly charged particles of interest, the peak mass deviated by up to 13% leading to errors in the mass specific extinction cross section of over 100%. For measurements of non-spherical particles, non-symmetrical distributions of concentration as a function of mass were a sign of the presence of multiply charged particles. Under these conditions, the effects of multiply charged particles can be reduced by using a second charge neutralizer after the DMA and prior to the APM. Dilution of the aerosol stream serves to decrease the total number concentration of particles and does not remove the contributions of multiply charged particles.
Supplementary Material from What's in a name? Taxonomic and gender biases in the etymology of new species names
Creators: name: Poulin, Robert
name: McDougall, Cameron
name: Presswell, Bronwen
Publisher: name: The Royal Society
Year: 2022
Subjects: subject: Evolutionary Biology
subject: FOS: Biological sciences
subject: Ecology
subject: 60301 Animal Systematics and Taxonomy
subject: 60310 Plant Systematics and Taxonomy

description: One additional figure and four additional tables providing results of analyses and secondary findings.
Modelling the aquatic toxicity of ionic liquids by means of VolSurf in silico descriptors
Creators: name: A. Paternò
name: G. Bocci
name: L. Goracci
name: G. Musumarra
name: S. Scirè
Publisher: name: Taylor & Francis
Year: 2016
Subjects: subject: Biochemistry
subject: Biotechnology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Ecology
subject: FOS: Biological sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: 69999 Biological Sciences not elsewhere classified
subject: Marine Biology

description: VolSurf+ in silico physicochemical descriptors for both the cationic and the anionic counterparts of ionic liquids (ILs) have been derived. These descriptors, suitable for molecular modelling of IL structures which, due to their amphiphilic nature, interact strongly with biological matrices, can be related to aquatic toxicity by means of a partial least squares statistical model. This model gives an insight into the relationships between structural physicochemical properties and aquatic toxicity as well as a satisfactory quantitative structure–property correlation, allowing prediction of aquatic toxicity scores of ILs.
Generating a Geospatial Database of U.S. Regional Feedstock Production for Use in Evaluating the Environmental Footprint of Biofuels
Creators: name: Holder, Christopher T.
name: Cleland, Joshua C.
name: LeDuc, Stephen D.
name: Zac Andereck
name: Hogan, Chris
name: Martin, Kristen M.
Publisher: name: Taylor & Francis
Year: 2016
Subjects: subject: Computational Biology
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: Information and Computing Sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: Ecology
subject: FOS: Biological sciences
subject: Biotechnology
subject: Genetics
subject: Microbiology
subject: Biophysics

description: Generating a Geospatial Database of U.S. Regional Feedstock Production for Use in Evaluating the Environmental Footprint of Biofuels
Subsidies versus economics, finances and income of farms (4)
Creators: name: Soliwoda, Michał
name: Kulawik, Jacek
name: Wąs, Adam
name: Kobus, Paweł
name: Konat, Grzegorz
name: Kurdyś-Kujawska, Agnieszka
name: Sompolska-Rzechuła, Agnieszka
name: Płonka, Renata
name: Osuch, Dariusz
name: Soliwoda, Michał (Ed.)
name: Soliwoda, Michał
name: Kulawik, Jacek
name: Wąs, Adam
name: Kobus, Paweł
name: Konat, Grzegorz
name: Kurdyś-Kujawska, Agnieszka
name: Sompolska-Rzechuła, Agnieszka
name: Płonka, Renata
name: Osuch, Dariusz
name: Soliwoda, Michał (Ed.)
Publisher: name: Unknown
Year: 2018
Subjects: subject: Agribusiness
subject: Agricultural Finance
subject: agricultural holding
subject: agriculture
subject: CAP
subject: direct payment
subject: economics
subject: EU countries
subject: farm
subject: finance
subject: income of farm
subject: public aid
subject: public support
subject: subsidies

description: The main objective of this monograph is to identify theoretical and methodological foundations for measuring, assessing and optimising public aid granted to farms (at the level of EU countries and individual farms in Poland), along with an attempt of empirical verification. The auxiliary objective of the monograph is to update the ex-post analysis of the impact of subsidies on the economic, income and financial situation of these entities. Chapters: Measurement, assessment and optimization of public aid granted to agricultural holdings – selected issues. Public support for agriculture of EU countries under the CAP. Scale, dynamics and trends of changes. Implications of the direct payment degressivity mechanism in the CAP 2020+ in Poland. Subsidies and other external sources of financing activity on farms – farmers’ opinions. Subsidies vs. finance and economics of farms managed by natural persons.
Methotrexate reduces HbA1c concentration but does not produce chronic accumulation of ZMP in patients with rheumatoid or psoriatic arthritis
Creators: name: K Perdan-Pirkmajer
name: S Pirkmajer
name: M Thevis
name: A Thomas
name: S Praprotnik
name: A Hočevar
name: Ž Rotar
name: N Gašperšič
name: S Sodin-Šemrl
name: J Žibert
name: J Omersel
name: AV Chibalin
name: M Tomšič
name: A Ambrožič
Publisher: name: Taylor & Francis
Year: 2015
Subjects: subject: Biochemistry
subject: Medicine
subject: Cell Biology
subject: Molecular Biology
subject: Physiology
subject: FOS: Biological sciences
subject: Pharmacology
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Ecology
subject: Sociology
subject: FOS: Sociology
subject: Immunology
subject: FOS: Clinical medicine
subject: Cancer
subject: 110309 Infectious Diseases
subject: FOS: Health sciences

description: Objectives: The mechanism by which methotrexate (MTX) improves glucose homeostasis in patients with rheumatoid (RA) and psoriatic arthritis (PsA) remains undetermined. Animal studies indicate a role for intracellular accumulation of 5-aminoimidazole-4-carboxamide-1-β-d-ribofuranosyl 5ʹ-monophosphate (ZMP) but this has not been directly demonstrated in humans. We explored whether accumulation of ZMP is associated with improvements in glucose homeostasis during MTX therapy. Method: MTX-naïve, non-diabetic RA (n = 16) and PsA (n = 10) patients received uninterrupted MTX treatment for 6 months. To evaluate whether ZMP accumulated during MTX therapy, we measured the concentration of ZMP in erythrocytes and the concentration of its dephosphorylated derivative 5-aminoimidazole-4-carboxamide-1-β-d-ribofuranoside (AICAR) in urine using liquid chromatography mass spectrometry (LC-MS/MS). To assess glucose homeostasis, we determined the concentration of glycated haemoglobin (HbA1c) and homeostasis model assessment of insulin resistance [HOMA-IR: fasting glucose (mmol/L) × fasting insulin (μU/mL)/22.5]. Results: Erythrocyte ZMP and urinary AICAR concentrations did not increase during 6 months of MTX therapy. HbA1c concentration was reduced from 5.80 ± 0.29% at baseline to 5.51 ± 0.32% at 6 months (p  Conclusions: MTX therapy probably does not produce a chronic increase in erythrocyte ZMP or urinary AICAR concentrations. Collectively, our data do not support the hypothesis that MTX improves glucose homeostasis through chronic accumulation of ZMP.
title: 'Too many trees!'
title: indigenous woodcarving and harvest sustainability in central Arnhem Land
titleType: Subtitle
Creators: name: Koenig, Jennifer
Publisher: name: Charles Darwin University
Year: 2007

description: The growth of the Indigenous Arts Industry in Australia over the last few decades has seen an increase in the number of Indigenous communities producing woodcarvings from native timber species. In this thesis, I apply integrative methodology from the social and biological sciences to examine the socio-cultural, economic and ecological determinants of sustainability in relation to harvesting timber for the woodcarving sector in the Maningrida region of central Amhem Land. Analysis of a long term art sales database showed that the number of woodcarvers and the number of carvings produced in this region has grown rapidly over the last two decades. Accompanied with this have been major shifts in the age demographics and gender of woodcarvers with younger artists and women increasingly engaging in carving production. Whilst artists were observed to be engaged in a range of activities, art production was the prominent means of productive cash income generation. An artist's place of residence also influenced the amount of carving undertaken, with artists residing on 'country' at an outstation more engaged in sculpture production than those living in the township of Maningrida. There were many cultural differences in harvest practice among language groups. Kuninjku and Kunibidji woodcarvers harvested a greater number of tree species, larger quantities per harvest trip and smaller sized stems compared to the other language groups. However, two tree species were predominantly used for carving across all language groups in the region: Bombax ceiba and Brachychiton diversifolius. A high percentage (65-88%) of harvested B. ceiba and B. diversifolius stems coppiced following harvest, with coppice stems growing up to six times faster than similar sized non-coppice stems. Stage-structured population models show that whilst B. diversifolius is more resilient to increasing harvest intensity than B. ceiba, current harvest regimes for both species are sustainable. This study has reduced the uncertainty surrounding the sustainability of harvesting these species for woodcarving in this region, helping to ensure the continuation of this important livelihood component for Indigenous Australians.
Electronic Supplementary Material from Using genomic prediction to detect microevolutionary change of a quantitative trait
Creators: name: Hunter, D. C.
name: Ashraf, B.
name: Bérénos, C.
name: Ellis, P. A.
name: Johnston, S. E.
name: Wilson, A. J.
name: Pilkington, J. G.
name: Pemberton, J. M.
name: Slate, J.
Publisher: name: The Royal Society
Year: 2022
Subjects: subject: Genetics
subject: FOS: Biological sciences
subject: Evolutionary Biology
subject: 60408 Genomics

description: Results from additional analyses
Methotrexate reduces HbA1c concentration but does not produce chronic accumulation of ZMP in patients with rheumatoid or psoriatic arthritis
Creators: name: K Perdan-Pirkmajer
name: S Pirkmajer
name: M Thevis
name: A Thomas
name: S Praprotnik
name: A Hočevar
name: Ž Rotar
name: N Gašperšič
name: S Sodin-Šemrl
name: J Žibert
name: J Omersel
name: AV Chibalin
name: M Tomšič
name: A Ambrožič
Publisher: name: Taylor & Francis
Year: 2016
Subjects: subject: Biochemistry
subject: Medicine
subject: Cell Biology
subject: Molecular Biology
subject: Physiology
subject: FOS: Biological sciences
subject: Pharmacology
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Ecology
subject: Sociology
subject: FOS: Sociology
subject: Immunology
subject: FOS: Clinical medicine
subject: Cancer
subject: 110309 Infectious Diseases
subject: FOS: Health sciences

description: Objectives: The mechanism by which methotrexate (MTX) improves glucose homeostasis in patients with rheumatoid (RA) and psoriatic arthritis (PsA) remains undetermined. Animal studies indicate a role for intracellular accumulation of 5-aminoimidazole-4-carboxamide-1-β-d-ribofuranosyl 5ʹ-monophosphate (ZMP) but this has not been directly demonstrated in humans. We explored whether accumulation of ZMP is associated with improvements in glucose homeostasis during MTX therapy. Method: MTX-naïve, non-diabetic RA (n = 16) and PsA (n = 10) patients received uninterrupted MTX treatment for 6 months. To evaluate whether ZMP accumulated during MTX therapy, we measured the concentration of ZMP in erythrocytes and the concentration of its dephosphorylated derivative 5-aminoimidazole-4-carboxamide-1-β-d-ribofuranoside (AICAR) in urine using liquid chromatography mass spectrometry (LC-MS/MS). To assess glucose homeostasis, we determined the concentration of glycated haemoglobin (HbA1c) and homeostasis model assessment of insulin resistance [HOMA-IR: fasting glucose (mmol/L) × fasting insulin (μU/mL)/22.5]. Results: Erythrocyte ZMP and urinary AICAR concentrations did not increase during 6 months of MTX therapy. HbA1c concentration was reduced from 5.80 ± 0.29% at baseline to 5.51 ± 0.32% at 6 months (p  Conclusions: MTX therapy probably does not produce a chronic increase in erythrocyte ZMP or urinary AICAR concentrations. Collectively, our data do not support the hypothesis that MTX improves glucose homeostasis through chronic accumulation of ZMP.
Electronic Supplementary Material - Text S1 from Miocene fossils from the southeastern pacific shed light on the last radiation of marine crocodylians
Creators: name: Salas-Gismondi, Rodolfo
name: Ochoa, Diana
name: Jouve, Stephane
name: Romero, Pedro E.
name: Cardich, Jorge
name: Perez, Alexander
name: DeVries, Thomas
name: Baby, Patrice
name: Urbina, Mario
name: Carré, Matthieu
Publisher: name: The Royal Society
Year: 2022
Subjects: subject: Evolutionary Biology
subject: FOS: Biological sciences
subject: 40308 Palaeontology (incl. Palynology)
subject: FOS: Earth and related environmental sciences
subject: 60301 Animal Systematics and Taxonomy
subject: 60310 Plant Systematics and Taxonomy

description: Methods, geological data, crocodylian material, analyses, and additional results
Enhanced transport of Si-coated nanoscale zero-valent iron particles in porous media
Creators: name: HonetschlÄgerová, Lenka
name: Janouškovcová, Petra
name: Kubal, Martin
Publisher: name: Taylor & Francis
Year: 2016
Subjects: subject: Biophysics
subject: Biochemistry
subject: Space Science
subject: Medicine
subject: Cell Biology
subject: Biotechnology
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: Ecology
subject: FOS: Biological sciences
subject: 69999 Biological Sciences not elsewhere classified

description: Laboratory column experiments were conducted to evaluate the effect of previously described silica coating method on the transport of nanoscale zero-valent iron (nZVI) in porous media. The silica coating method showed the potential to prevent the agglomeration of nZVI. Transport experiments were conducted using laboratory-scale sand-packed columns at conditions that were very similar of natural groundwater. Transport properties of non-coated and silica-coated nZVI are investigated in columns of 40 cm length, which were filled with porous media. A suspension was injected in three different Fe particle concentrations (100, 500, and 1000 mg/L) at flow 5 mL/min. Experimental results were compared using nanoparticle attachment efficiency and travel distances which were calculated by classical particle filtration theory. It was found that non-coated particles were essentially immobile in porous media. In contrast, silica-coated particles showed significant transport distances at the tested conditions. Results of this study suggest that silica can increase nZVI mobility in the subsurface.
Search for a concentration–effect curve of adalimumab in ankylosing spondylitis patients
Creators: name: AF Marsman
name: EL Kneepkens
name: J Ruwaard
name: JC Wei
name: MT Nurmohamed
name: C Van Denderen
name: IE Van Der Horst-Bruinsma
name: T Rispens
name: G Wolbink
Publisher: name: Taylor & Francis
Year: 2015
Subjects: subject: Biochemistry
subject: Medicine
subject: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: 60506 Virology

description: Search for a concentration–effect curve of adalimumab in ankylosing spondylitis patients
Search for a concentration–effect curve of adalimumab in ankylosing spondylitis patients
Creators: name: AF Marsman
name: EL Kneepkens
name: J Ruwaard
name: JC Wei
name: MT Nurmohamed
name: C Van Denderen
name: IE Van Der Horst-Bruinsma
name: T Rispens
name: G Wolbink
Publisher: name: Taylor & Francis
Year: 2016
Subjects: subject: Biochemistry
subject: Medicine
subject: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: 60506 Virology

description: Search for a concentration–effect curve of adalimumab in ankylosing spondylitis patients
Neutral cholic acid–coumarin conjugate exhibit excellent anion binding properties by cooperative aryl CH and amide NH segments
Creators: name: Weina Li
name: Jinzhi Sun
name: Jinsheng Shi
name: Shuanghong Hao
name: Qingzhi Liu
name: Guanghui Yu
Publisher: name: Taylor & Francis
Year: 2015
Subjects: subject: Biophysics
subject: Biochemistry
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Developmental Biology
subject: Hematology

description: A neutral cholic acid–coumarin conjugate was developed for anion recognition. It is revealed by the experimental and theoretical results that the coumarin group can provide CH segments as hydrogen bond donors by cooperation with the adjoining amide NH segments. With excellent biocompatibility, this receptor with coumarin as fluorescence sensors also have the potential to be used as an efficient and non-destructive probe for anion detection in living cells. This work displays a new insight into the importance of coumarin group as anion recognition group, which is not well presented so far.
The changing society at the time of COVID-19 What Italy should learn?
Creators: name: Santacroce, Luigi
name: Charitos, Ioannis Alexandros
name: Bottalico, Lucrezia
Publisher: name: Euro-Balkan Law and Economics Review
Year: 2020
Subjects: COVID-19; economic policy; Italian welfare; health funding; research funding

description: The first trimester of the year 2020 has been characterized by the sudden appearance and rapid widespread of a new, unknown infection. As consequence, several changes occurred in common lifestyle everywhere, with many differences based on cultural and economic structure of society in any country. We report a few considerations on the non-sanitary effects of COVID-19 in Italy and its possible projection during the time.
description: Euro-Balkan Law and Economics Review, N. 1 (2020): Fascicolo 1
Naphthyl- vs. anthrylpyridine-2,6-dicarboxamides in cation binding studies. Synthesis and spectroscopic properties
Creators: name: Łukasik, Natalia
name: Wagner-Wysiecka, Ewa
name: Hubscher-Bruder, Véronique
name: Michel, Sylvia
name: Bocheńska, Maria
name: Kamińska, Beata
Publisher: name: Taylor & Francis
Year: 2015
Subjects: subject: Biophysics
subject: Biochemistry
subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: Pharmacology
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Immunology
subject: FOS: Clinical medicine

description: Pyridine-2,6-carboxamides bearing α- or β-naphthyl- and α- or β-anthryl residues were prepared using simple method from pyridine-2,6-carboxylic acid dichloride and the respective aromatic amines. For the obtained receptors, selective binding of lead(II) and copper(II) was found. Ion–receptor interactions were studied using UV–vis spectroscopy, spectrofluorimetry, 1H NMR and FTIR spectroscopy. The reversible lead(II) and copper(II) binding was discussed in regard of type of aromatic residue and amide bond localisation in aromatic ring, and binding model was proposed.
Reaction-based sensing of fluoride ions using desilylation method for triggering excited-state intramolecular proton transfer
Creators: name: Mahapatra, Ajit Kumar
name: Sanchita Mondal
name: Saikat Kumar Manna
name: Kalipada Maiti
name: Rajkishor Maji
name: Ali, Syed Samim
name: Mandal, Debasish
name: Md. Raihan Uddin
name: Sukhendu Mandal
Publisher: name: Taylor & Francis
Year: 2015
Subjects: subject: Biophysics
subject: Biochemistry
subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Plant Biology

description: Naphthalene based benzothiazole (NBT) has been investigated as new colorimetric and ratiometric fluorescent chemosensor for fluoride. The selectivity of NBT has been explored based on combination of desilylation reaction and modulation of the excited-state intramolecular proton transfer (ESIPT) from the desilylation product to F−. The method exhibited a high selectivity and a great sensitivity toward fluoride anions through ‘turn-on’ chromogenic activity and sensitivity. The structure of HNBT has been established by single-crystal XRD. Density functional theory and TDDFT calculations were performed in order to demonstrate the electronic properties of HNBT, NBT and their anion. Upon treatment with fluoride in aqueous CH3CN solution, the TBS protective group of probe NBT was removed readily and ESIPT of the probe was switched on, which resulted in a decrease of the emission band at 415 nm and an increase in a new fluorescence peak around 586 nm. An easy-to-prepare test paper, obtained by dipping the paper into the solution of NBT, was able to detect fluoride ions in practical samples. The detection limit of the probe in the determination of fluoride ions was 10.18 μM.
Neutral cholic acid–coumarin conjugate exhibit excellent anion binding properties by cooperative aryl CH and amide NH segments
Creators: name: Weina Li
name: Jinzhi Sun
name: Jinsheng Shi
name: Shuanghong Hao
name: Qingzhi Liu
name: Guanghui Yu
Publisher: name: Taylor & Francis
Year: 2016
Subjects: subject: Biophysics
subject: Biochemistry
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Developmental Biology
subject: Hematology

description: A neutral cholic acid–coumarin conjugate was developed for anion recognition. It is revealed by the experimental and theoretical results that the coumarin group can provide CH segments as hydrogen bond donors by cooperation with the adjoining amide NH segments. With excellent biocompatibility, this receptor with coumarin as fluorescence sensors also have the potential to be used as an efficient and non-destructive probe for anion detection in living cells. This work displays a new insight into the importance of coumarin group as anion recognition group, which is not well presented so far.
Supplementary data (Figures S1-S3, Tables S1 and S3) from Thermal regime during parental sexual maturation, but not during offspring rearing, modulates DNA methylation in brook charr (Salvelinus fontinalis)
Creators: name: Venney, Clare J.
name: Wellband, Kyle W.
name: Normandeau, Eric
name: Houle, Carolyne
name: Garant, Dany
name: Audet, Céline
name: Bernatchez, Louis
Publisher: name: The Royal Society
Year: 2022
Subjects: subject: Evolutionary Biology
subject: FOS: Biological sciences
subject: Environmental Science
subject: 60408 Genomics

description: Supplementary data (Figures S1-S3, Tables S1 and S3) on adult maturation temperature, breeding design, DMR results and coverage, and GO annotation results
In silico investigation of PARP-1 catalytic domains in holo and apo states for the design of high-affinity PARP-1 inhibitors
Creators: name: Noskov, Sergei Y.
name: Durdagi, Serdar
name: Salmas, Ramin Ekhteiari
name: Unlu, Ayhan
name: Yurtsever, Mine
Publisher: name: Taylor & Francis
Year: 2016
Subjects: Cancer
Information and Computing Sciences
Biological Sciences
Chemistry
Pharmacology
Molecular Biology
Cell Biology
Biochemistry
Biophysics

description: The rational design of high-affinity inhibitors of poly-ADP-ribose polymerase-1 (PARP-1) is at the heart of modern anti-cancer drug design. While relevance of enzyme to DNA repair processes in cellular environment is firmly established, the structural and functional understanding of the main determinants for high-affinity ligands controlling PARP-1 activity is still lacking. The conserved active site of PARP-1 represents an ideal target for inhibitors and may offer a novel target at the treatment of breast cancer. To fill the gap in the structural knowledge, we report on the combination of molecular dynamics (MD) simulations, principal component analysis (PCA), and conformational analysis that analyzes in great details novel binding mode for a number of inhibitors at the PARP-1. While optimization of the binding affinity for original target is an important goal in the drug design, many of the promising molecules for treatment of the breast cancer are plagued by significant cardiotoxicity. One of the most common side-effects reported for a number of polymerase inhibitors is its off-target interactions with cardiac ion channels and hERG1 channel, in particular. Thus, selected candidate PARP-1 inhibitors were also screened in silico at the central cavities of hERG1 potassium ion channel.
Looking into the crystal ball of our emotional lives: emotion regulation and the overestimation of future guilt and shame
Creators: name: Dijk, Wilco W. Van
name: Dillen, Lotte F. Van
name: Rotteveel, Mark
name: Seip, Elise C.
Publisher: name: Taylor & Francis
Year: 2015
Subjects: subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Science Policy

description: In the present study, we examined the impact of emotion regulation on the intensity bias in guilt and shame. Fifty-two undergraduates either forecasted their emotions and emotion regulation following a guilt- and shame-eliciting situation or reported their actual experienced emotions and employed emotion regulation. Results showed a clear intensity bias, that is, forecasters predicted to experience more guilt and shame than experiencers actually experienced. Furthermore, results showed that forecasters predicted to employ less down-regulating emotion regulation (i.e. less acceptance) and more up-regulating emotion regulation (i.e. more rumination) than experiencers actually employed. Moreover, results showed that the intensity differences between forecasted and experienced guilt and shame could be explained (i.e. were mediated) by the differences between forecasted and actually employed emotion regulation (i.e. acceptance and rumination). These findings provide support for the hypothesis that the intensity bias can—at least in part—be explained by the misprediction of future emotion regulation.
Predicting freezing points of ternary salt solutions with the multisolute osmotic virial equation
Creators: Binyaminov, Hikmat
Sun, Henry
Elliott, Janet A. W.
Publisher: name: University of Alberta Library
Year: 2023

Previously, the multisolute osmotic virial equation with the combining rules of Elliott et al. has been shown to make accurate predictions for multisolute solutions with only single-solute osmotic virial coefficients as inputs. The original combining rules take the form of an arithmetic average for the second-order mixed coefficients and a geometric average for the third-order mixed coefficients. Recently, we derived generalized combining rules from a first principles solution theory, where all mixed coefficients could be expressed as arithmetic averages of suitable binary coefficients. In this work, we empirically extended the new model to account for electrolyte effects, including solute dissociation, and demonstrated its usefulness for calculating the properties of multielectrolyte solutions. First, the osmotic virial coefficients of 31 common salts in water were tabulated based on the available freezing point depression (FPD) data. This was achieved by polynomial fitting, where the degree of the polynomial was determined using a special criterion that accounts for the confidence intervals of the coefficients. Then, the multisolute model was used to predict the FPD of 11 ternary electrolyte solutions. Furthermore, models with the new combining rules and the original combining rules of Elliott et al. were compared using both mole fraction and molality as concentration units. We find that the mole-fraction-based model with the new combining rules performs the best and that the results agree well with independent experimental measurements with an all-system root-mean-square error of 0.24 osmoles/kg (0.45 °C) and close to zero mean bias for the entire dataset (371 data points).
Anotações de Física Moderna (2023)
Creators: name: Baginski Batista Santos, Roberto
Publisher: name: Centro Universitário FEI
Year: 2024
Subjects: subject: Quantum Physics
subject: FOS: Physical sciences
subject: Wave Optics
subject: Relativity

description: Estas são as anotações de aula fornecidas no 2º semestre de 2023 aos estudantes da disciplina Física Moderna (FSQ400), que é oferecida para todos os cursos de Engenharia do Centro Universitário FEI.

O objetivo da disciplina é que os estudantes sejam capazes de analisar e resolver problemas envolvendo física quântica, óptica física e relatividade, além de estabelecer relações entre os fenômenos físicos estudados, os princípios e leis que os descrevem e suas aplicações.

Por meio das diversas atividades propostas, espera-se que os estudantes sejam capazes de: trabalhar em equipes, compreendendo, respeitando e valorizando as diferenças, para realizar análises conceituais; desenvolver e resolver modelos matemáticos simples; planejar, executar e analisar experimentos; desenvolver projetos em situações relacionadas ao conteúdo da disciplina; demonstrar uma atitude investigativa e autônoma visando à produção e aquisição de conhecimentos e ao desenvolvimento de novas tecnologias e de inovações; empregar raciocínio crítico ao selecionar e avaliar informações obtidas em contextos complexos; comunicar métodos usados e resultados obtidos em diversas formas e suportes.
Naphthyl- vs. anthrylpyridine-2,6-dicarboxamides in cation binding studies. Synthesis and spectroscopic properties
Creators: name: Łukasik, Natalia
name: Wagner-Wysiecka, Ewa
name: Hubscher-Bruder, Véronique
name: Michel, Sylvia
name: Bocheńska, Maria
name: Kamińska, Beata
Publisher: name: Taylor & Francis
Year: 2016
Subjects: subject: Biophysics
subject: Biochemistry
subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: Pharmacology
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Immunology
subject: FOS: Clinical medicine

description: Pyridine-2,6-carboxamides bearing α- or β-naphthyl- and α- or β-anthryl residues were prepared using simple method from pyridine-2,6-carboxylic acid dichloride and the respective aromatic amines. For the obtained receptors, selective binding of lead(II) and copper(II) was found. Ion–receptor interactions were studied using UV–vis spectroscopy, spectrofluorimetry, 1H NMR and FTIR spectroscopy. The reversible lead(II) and copper(II) binding was discussed in regard of type of aromatic residue and amide bond localisation in aromatic ring, and binding model was proposed.
Reaction-based sensing of fluoride ions using desilylation method for triggering excited-state intramolecular proton transfer
Creators: name: Mahapatra, Ajit Kumar
name: Sanchita Mondal
name: Saikat Kumar Manna
name: Kalipada Maiti
name: Rajkishor Maji
name: Ali, Syed Samim
name: Mandal, Debasish
name: Md. Raihan Uddin
name: Sukhendu Mandal
Publisher: name: Taylor & Francis
Year: 2016
Subjects: subject: Biophysics
subject: Biochemistry
subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Plant Biology

description: Naphthalene based benzothiazole (NBT) has been investigated as new colorimetric and ratiometric fluorescent chemosensor for fluoride. The selectivity of NBT has been explored based on combination of desilylation reaction and modulation of the excited-state intramolecular proton transfer (ESIPT) from the desilylation product to F−. The method exhibited a high selectivity and a great sensitivity toward fluoride anions through ‘turn-on’ chromogenic activity and sensitivity. The structure of HNBT has been established by single-crystal XRD. Density functional theory and TDDFT calculations were performed in order to demonstrate the electronic properties of HNBT, NBT and their anion. Upon treatment with fluoride in aqueous CH3CN solution, the TBS protective group of probe NBT was removed readily and ESIPT of the probe was switched on, which resulted in a decrease of the emission band at 415 nm and an increase in a new fluorescence peak around 586 nm. An easy-to-prepare test paper, obtained by dipping the paper into the solution of NBT, was able to detect fluoride ions in practical samples. The detection limit of the probe in the determination of fluoride ions was 10.18 μM.
Chalcones isolated from Angelica keiskei inhibit cysteine proteases of SARS-CoV
Creators: name: Park, Ji-Young
name: Kim, Young Min
name: Kwon, Hyung-Jun
name: Park, Ki Hun
name: Lee, Woo Song
name: Ko, Jin-A
name: Kim, Dae Wook
name: Jeong, Hyung Jae
name: Kim, Cha Young
name: Ryu, Young Bae
Publisher: name: Taylor & Francis
Year: 2016
Subjects: subject: 60506 Virology
subject: FOS: Biological sciences
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: Hematology
subject: 111714 Mental Health
subject: Developmental Biology
subject: Biological Sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: Sociology
subject: FOS: Sociology
subject: Chemistry
subject: Pharmacology
subject: Molecular Biology
subject: Cell Biology
subject: Biochemistry
subject: Biophysics

description: Two viral proteases of severe acute respiratory syndrome coronavirus (SARS-CoV), a chymotrypsin-like protease (3CLpro) and a papain-like protease (PLpro) are attractive targets for the development of anti-SARS drugs. In this study, nine alkylated chalcones (1–9) and four coumarins (10–13) were isolated from Angelica keiskei, and the inhibitory activities of these constituents against SARS-CoV proteases (3CLpro and PLpro) were determined (cell-free/based). Of the isolated alkylated chalcones, chalcone 6, containing the perhydroxyl group, exhibited the most potent 3CLpro and PLpro inhibitory activity with IC50 values of 11.4 and 1.2 µM. Our detailed protein-inhibitor mechanistic analysis of these species indicated that the chalcones exhibited competitive inhibition characteristics to the SARS-CoV 3CLpro, whereas noncompetitive inhibition was observed with the SARS-CoV PLpro.
Looking into the crystal ball of our emotional lives: emotion regulation and the overestimation of future guilt and shame
Creators: name: Dijk, Wilco W. Van
name: Dillen, Lotte F. Van
name: Rotteveel, Mark
name: Seip, Elise C.
Publisher: name: Taylor & Francis
Year: 2016
Subjects: subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Science Policy

description: In the present study, we examined the impact of emotion regulation on the intensity bias in guilt and shame. Fifty-two undergraduates either forecasted their emotions and emotion regulation following a guilt- and shame-eliciting situation or reported their actual experienced emotions and employed emotion regulation. Results showed a clear intensity bias, that is, forecasters predicted to experience more guilt and shame than experiencers actually experienced. Furthermore, results showed that forecasters predicted to employ less down-regulating emotion regulation (i.e. less acceptance) and more up-regulating emotion regulation (i.e. more rumination) than experiencers actually employed. Moreover, results showed that the intensity differences between forecasted and experienced guilt and shame could be explained (i.e. were mediated) by the differences between forecasted and actually employed emotion regulation (i.e. acceptance and rumination). These findings provide support for the hypothesis that the intensity bias can—at least in part—be explained by the misprediction of future emotion regulation.
Insight into the interaction of antitubercular and anticancer compound clofazimine with human serum albumin: spectroscopy and molecular modelling
Creators: name: Ajmal, Mohammad Rehan
name: Zaidi, Nida
name: Alam, Parvez
name: Nusrat, Saima
name: Mohd Khursheed Siddiqi
name: Badr, Gamal
name: Mahmoud, Mohamed H.
name: Khan, Rizwan Hasan
Publisher: name: Taylor & Francis
Year: 2015
Subjects: subject: Biophysics
subject: Biochemistry
subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: Pharmacology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences

description: The binding of clofazimine to human serum albumin (HSA) was investigated by applying optical spectroscopy and molecular docking methods. Fluorescence quenching data revealed that clofazimine binds to protein with binding constant in the order of 104 M−1, and with the increase in temperature, Stern–Volmer quenching constants gradually decreased indicating quenching mode to be static. The UV–visible spectra showed increase in absorbance upon interaction of HSA with clofazimine which further reveals formation of the drug–albumin complex. Thermodynamic parameters obtained from fluorescence data indicate that the process is exothermic and spontaneous. Forster distance (Ro) obtained from fluorescence resonance energy transfer is found to be 2.05 nm. Clofazimine impelled rise in α-helical structure in HSA as observed from far-UV CD spectra while there are minor alterations in tertiary structure of the protein. Clofazimine interacts strongly with HSA inducing secondary structure in the protein and slight alterations in protein topology as suggested by dynamic light scattering results. Moreover, docking results indicate that clofazimine binds to hydrophobic pocket near to the drug site II in HSA.
Impact of formulation and media composition on polymer based dispersions
Creators: name: Bapat, Pradnya Prakash
Publisher: name: Purdue University Graduate School
Year: 2024
Subjects: classificationCode: 321405
subject: Pharmaceutical sciences

description: Amorphous solid dispersions (ASDs) are being widely used as enabling formulations for poorly water soluble drugs. An ASD is a molecular level mixture of an amorphous drug and a polymer to form a single-phase homogeneous blend. The amorphous form of a drug provides a higher transient solubility compared to equilibrium crystalline solubility, whereby the presence of a polymer of appropriate properties aids in crystallization inhibition. Polymers also improve the release rate of the drug from the ASD relative to the release rate of neat amorphous drug, specifically for release regimens where both drug and polymer release congruently. Hydroxypropyl methylcellulose acetate succinate (HPMCAS)-based ASDs tend to show congruent release of drug and polymer across multiple drug loadings, providing a significant dissolution improvement even beyond the amorphous solubility of a drug. Enteric polymers such as HPMCAS have been studied extensively in terms of enteric coated tablets but haven’t been explored in as much detail when molecularly dispersed with a drug as in case of ASDs. Literature shows not all ASDs are able to improve bioavailability of drugs. Such a failure to provide bioavailability advantage via certain ASDs could come from a randomized drug and polymer selection in the preformulation stage of drug product development which could fundamentally arise from the lack of understanding of the release mechanisms of ASDs. Given that HPMCAS is one of the most popularly used polymers for spray drying of ASDs in the pharmaceutical industry, investigating the release mechanisms of HPMCAS-based ASDs is critical. In this study, some of the key formulation design factors, such as drug-polymer interactions, different grades of polymer as well as dissolution media factors such as buffer capacity that impact the release performance of HPMCAS-based ASDs have been investigated. The results from this study are expected to contribute to the fundamental understanding of the failure mechanisms of HPMCAS-based ASDs, reducing empirical screening of drugs during the preformulation stage of the product development and enhance the success rate of ASDs.
Interleukin-11 binds specific EF-hand proteins via their conserved structural motifs
Creators: name: Kazakov, Alexei S.
name: Sokolov, Andrei S.
name: Vologzhannikova, Alisa A.
name: Permyakova, Maria E.
name: Khorn, Polina A.
name: Ramis G. Ismailov
name: Denessiouk, Konstantin A.
name: Denesyuk, Alexander I.
name: Rastrygina, Victoria A.
name: Viktoriia E. Baksheeva
name: Zernii, Evgeni Yu.
name: Zinchenko, Dmitry V.
name: Glazatov, Vladimir V.
name: Uversky, Vladimir N.
name: Tajib A. Mirzabekov
name: Permyakov, Eugene A.
name: Permyakov, Sergei E.
Publisher: name: Taylor & Francis
Year: 2016
Subjects: subject: Biophysics
subject: Biochemistry
subject: Microbiology
subject: FOS: Biological sciences
subject: Cell Biology
subject: Molecular Biology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: 69999 Biological Sciences not elsewhere classified
subject: Cancer
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: 60506 Virology

description: Interleukin-11 (IL-11) is a hematopoietic cytokine engaged in numerous biological processes and validated as a target for treatment of various cancers. IL-11 contains intrinsically disordered regions that might recognize multiple targets. Recently we found that aside from IL-11RA and gp130 receptors, IL-11 interacts with calcium sensor protein S100P. Strict calcium dependence of this interaction suggests a possibility of IL-11 interaction with other calcium sensor proteins. Here we probed specificity of IL-11 to calcium-binding proteins of various types: calcium sensors of the EF-hand family (calmodulin, S100B and neuronal calcium sensors: recoverin, NCS-1, GCAP-1, GCAP-2), calcium buffers of the EF-hand family (S100G, oncomodulin), and a non-EF-hand calcium buffer (α-lactalbumin). A specific subset of the calcium sensor proteins (calmodulin, S100B, NCS-1, GCAP-1/2) exhibits metal-dependent binding of IL-11 with dissociation constants of 1–19 μM. These proteins share several amino acid residues belonging to conservative structural motifs of the EF-hand proteins, ‘black’ and ‘gray’ clusters. Replacements of the respective S100P residues by alanine drastically decrease its affinity to IL-11, suggesting their involvement into the association process. Secondary structure and accessibility of the hinge region of the EF-hand proteins studied are predicted to control specificity and selectivity of their binding to IL-11. The IL-11 interaction with the EF-hand proteins is expected to occur under numerous pathological conditions, accompanied by disintegration of plasma membrane and efflux of cellular components into the extracellular milieu.
Identification of single microbial particles using electro-dynamic balance assisted laser-induced breakdown and fluorescence spectroscopy
Creators: name: S. Saari
name: S. Järvinen
name: T. Reponen
name: J. Mensah-Attipoe
name: P. Pasanen
name: J. Toivonen
name: J. Keskinen
Publisher: name: Taylor & Francis
Year: 2016
Subjects: subject: Biophysics
subject: Biochemistry
subject: Microbiology
subject: FOS: Biological sciences
subject: Molecular Biology
subject: Biotechnology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Developmental Biology

description: Online characterization of fungal and bacterial spores is important in various applications due to their health and climatic relevance. The aim of this study was to demonstrate the capability of the combination of electro-dynamic balance assisted laser-induced breakdown spectroscopy (LIBS) and laser-induced fluorescence (LIF) techniques for the online detection of single fungal spores (Aspergillus versicolor and Penicillium brevicompactum) and bacteria (Bacillus aureus). The method enabled sensitive and repeatable LIBS analysis of common elemental components (Ca, Na, and K) from single microbial particles for the first time. Significant differences in the concentrations of these elements were observed between the species, e.g., bacterial spores had over three orders of magnitude higher Ca concentration (2 × 10−12 g/particle) compared to fungal spores (3–5 × 10−16 g/particle). The LIF analysis has previously been used to distinguish bioaerosols from other aerosols due to their fluorescence ability. This study showed that combination of LIF and LIBS analysis is a promising tool for identification of different bioaerosol particle types. Copyright © 2016 American Association for Aerosol Research