150,318 results match your criteria Atomic Energy[Journal]


Effect of ultrasonication on the flotation of fine graphite particles: Nanobubbles or not?

Ultrason Sonochem 2020 Jun 30;69:105243. Epub 2020 Jun 30.

National Engineering Research Center of Coal Preparation and Purification, China University of Mining and Technology, Xuzhou 221116, Jiangsu, China. Electronic address:

It has been reported that nanobubbles can be produced by ultrasonication. However, it remains unclear whether part of the contribution of ultrasonication on flotation performance can be attributed to the generation of nanobubbles. In this work, we systematically studied this point of ultrasonication by combining a series of techniques including flotation testing, AFM (atomic force microscope) measurement, and settling testing. Read More

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http://dx.doi.org/10.1016/j.ultsonch.2020.105243DOI Listing

Analysis of total phenolic compounds in tea and fruits using diazotized aminobenzenes colorimetric spots.

Food Chem 2020 Jun 27;332:127392. Epub 2020 Jun 27.

Chemistry Department, Al-Quwayiyah College of Science and Humanities, 11971, Shaqra University, Saudi Arabia; Hot Laboratory Center, Nuclear Fuel Technology Department, Atomic Energy Authority, Cairo, Egypt. Electronic address:

The present work describes a novel and rapid approach for evaluating total phenolic compounds (TPCs) in tea and fruits using colorimetric spots and the digital image-based (DIB) method. Colorimetric spots were formed by reacting diazotized aminobenzenes namely sulfanilic acid, sulfanilamide, or aniline with TPCs in the extract to form an azo dye. The limit of detection (LOD) was 6. Read More

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http://dx.doi.org/10.1016/j.foodchem.2020.127392DOI Listing

Enhanced magnetic heating efficiency at acidic pH for magnetic nanoemulsions stabilized with a weak polyelectrolyte.

J Colloid Interface Sci 2020 Jun 27;579:582-597. Epub 2020 Jun 27.

Smart Materials Section, Corrosion Science and Technology Division, Materials Characterization Group, Metallurgy and Materials Group, Indira Gandhi Centre for Atomic Research, HBNI, Kalpakkam, Tamil Nadu 603102, India. Electronic address:

Hypothesis: Magnetic fluid hyperthermia has attracted considerable attention for cancer therapeutics. Magnetic nanoemulsions are potential candidates for multi-modal hyperthermia due to the possibility of volumetric loading with suitable chemo/photo-therapy agents. Often, the nanocarriers are stabilized using organic molecules that behave differently under varying pH and hence, an understanding of their interfacial behaviour is important for practical applications. Read More

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http://dx.doi.org/10.1016/j.jcis.2020.06.093DOI Listing

Structures of the intrinsically disordered Aβ, tau and α-synuclein proteins in aqueous solution from computer simulations.

Biophys Chem 2020 Jun 30;264:106421. Epub 2020 Jun 30.

Laboratory of Theoretical Chemistry, Ton Duc Thang University, Ho Chi Minh City, Vietnam; Faculty of Pharmacy, Ton Duc Thang University, Ho Chi Minh City, Vietnam. Electronic address:

Intrinsically disordered proteins (IDPs) play many biological roles in the human proteome ranging from vesicular transport, signal transduction to neurodegenerative diseases. The Aβ and tau proteins, and the α-synuclein protein, key players in Alzheimer's and Parkinson's diseases, respectively are fully disordered at the monomer level. The structural heterogeneity of the monomeric and oligomeric states and the high self-assembly propensity of these three IDPs have precluded experimental structural determination. Read More

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http://dx.doi.org/10.1016/j.bpc.2020.106421DOI Listing

Towards gaining sight of multiscale events: utilizing network models and normal modes in hybrid methods.

Curr Opin Struct Biol 2020 Jul 1;64:34-41. Epub 2020 Jul 1.

Department of Computational and Systems Biology, School of Medicine, University of Pittsburgh, 3501 Fifth Ave, Suite 3064 BST3, Pittsburgh, PA 15260, USA. Electronic address:

With the explosion of normal mode analyses (NMAs) based on elastic network models (ENMs) in the last decade, and the proven precision of MD simulations for visualizing interactions at atomic scale, many hybrid methods have been proposed in recent years. These aim at exploiting the best of both worlds: the atomic precision of MD that often fall short of exploring time and length scales of biological interest, and the capability of ENM-NMA to predict the cooperative and often functional rearrangements of large structures and assemblies, albeit at low resolution. We present an overview of recent progress in the field with examples of successful applications highlighting the utility of such hybrid methods and pointing to emerging future directions guided by advances in experimental characterization of biomolecular systems structure and dynamics. Read More

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http://dx.doi.org/10.1016/j.sbi.2020.05.013DOI Listing

Probing protein-induced membrane fouling with in-situ attenuated total reflectance fourier transform infrared spectroscopy and multivariate curve resolution-alternating least squares.

Water Res 2020 Jun 17;183:116052. Epub 2020 Jun 17.

CAS Key Laboratory of Urban Pollutant Conversion, Department of Environmental Science and Engineering, University of Science and Technology of China, Hefei, 230026, China. Electronic address:

Proteins are one of the major contributors to membrane fouling. The interaction between proteins and the polymer membrane at the molecular level is essential for the alleviation/prevention of membrane fouling, but remains unclear. In this work, time-dependent in-situ attenuated total reflectance Fourier transform infrared spectroscopy is applied to investigate the interaction process between two model proteins, bovine serum albumin and lysozyme, and the poly(vinylidene fluoride) (PVDF) membrane. Read More

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http://dx.doi.org/10.1016/j.watres.2020.116052DOI Listing

Spatiotemporally tracking of nano-biofilaments inside the nuclear pore complex core.

Biomaterials 2020 Jun 23;256:120198. Epub 2020 Jun 23.

Cell-Bionomics Research Unit, Innovative Integrated Bio-Research Core, Institute for Frontier Science Initiative, Kanazawa University, Kanazawa, 920-1192, Japan; WPI Nano Life Science Institute (WPI-NanoLSI), Kanazawa University, Kanazawa, 920-1192, Japan. Electronic address:

Nuclear pore complex (NPC) is a gating nanomachine with a central selective barrier composed mainly of Nups, which contain intrinsically disordered (non-structured) regions (IDRs) with phenylalanine-glycine (FG) motifs (FG-NUPs). The NPC central FG network dynamics is poorly understood, as FG-NUPs liquid-liquid phase separation (LLPS) have evaded structural characterization. Moreover, the working mechanism of single FG-NUP-biofilaments residing at the central lumen is unknown. Read More

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http://dx.doi.org/10.1016/j.biomaterials.2020.120198DOI Listing

Atomic Imaging of Subsurface Interstitial Hydrogen and Insights into Surface Reactivity of Palladium Hydrides.

Angew Chem Int Ed Engl 2020 Jul 4. Epub 2020 Jul 4.

Tsinghua University, Tsinghua Shenzhen International Graduate School, Lishui Road, University Town of Shenzhen, Tsinghua Campus, Energy and Environment Building 1612, 518055, Shenzhen, CHINA.

Resolving interstitial hydrogen atoms at the surfaces and interfaces is crucial for understanding the mechanical and physicochemical properties of metal hydrides. Although palladium (Pd) hydrides hold important applications in hydrogen storage and electrocatalysis, the atomic position of interstitial hydrogen at Pd hydride near surfaces still remains undetermined. We report here the first direct imaging of subsurface hydrogen atoms absorbed in Pd nanoparticles by using differentiated and integrated differential phase contrast within aberration-corrected scanning transmission electron microscope. Read More

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http://dx.doi.org/10.1002/anie.202006562DOI Listing

Chest CT practice and protocols for COVID-19 from radiation dose management perspective.

Eur Radiol 2020 Jul 3. Epub 2020 Jul 3.

International Atomic Energy Agency, Vienna, Austria.

The global pandemic of coronavirus disease 2019 (COVID-19) has upended the world with over 6.6 million infections and over 391,000 deaths worldwide. Reverse-transcription polymerase chain reaction (RT-PCR) assay is the preferred method of diagnosis of COVID-19 infection. Read More

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http://dx.doi.org/10.1007/s00330-020-07034-xDOI Listing

Protein Structure Modeling from Cryo-EM Map Using MAINMAST and MAINMAST-GUI Plugin.

Methods Mol Biol 2020 ;2165:317-336

Department of Biological Sciences, Purdue University, West Lafayette, IN, USA.

Protein structure modeling is a fundamental step for the structural interpretation of 3D electron microscopy (EM) density map. Recently, because of the significant progress of the cryo-EM technique, protein structure modeling tools are needed for EM maps determined around 4 Å resolution. At this rear atomic resolution, finding main-chain structure and assigning the amino acid sequence into EM map are still challenging problems. Read More

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http://dx.doi.org/10.1007/978-1-0716-0708-4_19DOI Listing
January 2020

Molecular Dynamics Flexible Fitting: All You Want to Know About Resolution Exchange.

Methods Mol Biol 2020 ;2165:301-315

The School of Molecular Sciences, Arizona State University, Tempe, AZ, USA.

In recent years, owing to the advances in instrumentation, cryo-EM has emerged as the go-to tool for obtaining high-resolution structures of biomolecular systems. However, building three-dimensional atomic structures of biomolecules from these high-resolution maps remains a concern for the traditional map-guided structure-determination schemes. Recently, we developed a computational tool, Resolution Exchange Molecular Dynamics Flexible Fitting (ReMDFF) to address this problem by re-refining a search model against a series of maps of progressively higher resolutions, which ends with the original experimental resolution (Wang et al. Read More

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http://dx.doi.org/10.1007/978-1-0716-0708-4_18DOI Listing
January 2020

Modeling Protein-Protein or Protein-DNA/RNA Complexes Using the HDOCK Webserver.

Methods Mol Biol 2020 ;2165:217-229

School of Physics, Huazhong University of Science and Technology, Wuhan, Hubei, China.

Protein-protein and protein-DNA/RNA interactions are involved in many cellular processes. Therefore, determining their complex structures at the atomic level is valuable to gain insights into these interactions. Because of the technical difficulties and high cost in experimental methods, computational approaches like molecular docking have been developed to predict the structures of macromolecular complexes in the last decades. Read More

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http://dx.doi.org/10.1007/978-1-0716-0708-4_12DOI Listing
January 2020

A Guide for Protein-Protein Docking Using SwarmDock.

Methods Mol Biol 2020 ;2165:199-216

Biomolecular Modelling Laboratory, The Francis Crick Institute, London, UK.

Many of the biological functions of the cell are driven by protein-protein interactions. However, determining which proteins interact and exactly how they do so to enable their functions, remain major research questions. Functional interactions are dependent on a number of complicated factors; therefore, modeling the three-dimensional structure of protein-protein complexes is still considered a complex endeavor. Read More

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http://dx.doi.org/10.1007/978-1-0716-0708-4_11DOI Listing
January 2020

Modeling of Protein Complexes and Molecular Assemblies with pyDock.

Methods Mol Biol 2020 ;2165:175-198

Barcelona Supercomputing Center (BSC), Barcelona, Spain.

The study of the 3D structural details of protein interactions is essential to understand biomolecular functions at the molecular level. In this context, the limited availability of experimental structures of protein-protein complexes at atomic resolution is propelling the development of computational docking methods that aim to complement the current structural coverage of protein interactions. One of these docking approaches is pyDock, which uses van der Waals, electrostatics, and desolvation energy to score docking poses generated by a variety of sampling methods, typically FTDock or ZDOCK. Read More

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http://dx.doi.org/10.1007/978-1-0716-0708-4_10DOI Listing
January 2020

Kinetics and mechanism of radium-isotopes dissolution in TENORM scale waste associated with petroleum production using certain organic carbon source: lactic acid solution-case study.

Environ Sci Pollut Res Int 2020 Jul 3. Epub 2020 Jul 3.

Analytical Chemistry and Control Department, Hot Laboratories and Waste Management Center (HLWMC), Egyptian Atomic Energy Authority (EAEA), Cairo, Post Code No. 13759, Egypt.

The present study is conducted to explore the dissolution as inferred from the kinetic mechanism for radium-isotopes (Ra, Ra, and Ra) in the TENORM scale waste deposited in oilfield pipes and equipment, Gulf of Suez, Egypt. The main efficiency factors for Ra-compound dissolution by lactic acid (LA) solution, e.g. Read More

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http://dx.doi.org/10.1007/s11356-020-09863-1DOI Listing

Effects of green light photobiomodulation on Dental Pulp Stem Cells: enhanced proliferation and improved wound healing by cytoskeleton reorganization and cell softening.

Lasers Med Sci 2020 Jul 4. Epub 2020 Jul 4.

LBN, University Montpellier, 545 Av Pr JL Viala, 34193 CEDEX 4, Montpellier, France.

Photobiomodulation (PBM) has been shown to improve cell proliferation and cell migration. Many cell types have been investigated, with most studies using deep penetrating red light irradiation. Considering the interest of surface biostimulation of oral mesenchymal cells after surgical wound, the present study aimed to assess green light irradiation effects on Dental Pulp Stem Cells' (DPSC) proliferation and migration. Read More

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http://dx.doi.org/10.1007/s10103-020-03092-1DOI Listing

CryoEM structure of the tegumented capsid of Epstein-Barr virus.

Cell Res 2020 Jul 3. Epub 2020 Jul 3.

Cryo-Electron Microscopy Research Center, The CAS Key Laboratory of Receptor Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, 201203, China.

Epstein-Barr virus (EBV) is the primary cause of infectious mononucleosis and has been shown to be closely associated with various malignancies. Here, we present a complete atomic model of EBV, including the icosahedral capsid, the dodecameric portal and the capsid-associated tegument complex (CATC). Our in situ portal from the tegumented capsid adopts a closed conformation with its channel valve holding the terminal viral DNA and with its crown region firmly engaged by three layers of ring-like dsDNA, which, together with the penton flexibility, effectively alleviates the capsid inner pressure placed on the portal cap. Read More

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http://dx.doi.org/10.1038/s41422-020-0363-0DOI Listing

Anomalous 3D nanoscale photoconduction in hybrid perovskite semiconductors revealed by tomographic atomic force microscopy.

Nat Commun 2020 Jul 3;11(1):3308. Epub 2020 Jul 3.

Department of Materials Science and Engineering, University of Connecticut, Storrs, CT, 06269, USA.

While grain boundaries (GBs) in conventional inorganic semiconductors are frequently considered as detrimental for photogenerated carrier transport, their exact role remains obscure for the emerging hybrid perovskite semiconductors. A primary challenge for GB-property investigations is that experimentally they need to be performed at the top surface, which is not only insensitive to depth-dependent inhomogeneities but also could be susceptible to topographic artifacts. Accordingly, we have developed a unique approach based on tomographic atomic force microscopy, achieving a fully-3D, photogenerated carrier transport map at the nanoscale in hybrid perovskites. Read More

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http://dx.doi.org/10.1038/s41467-020-17012-yDOI Listing

De novo design of Au(SR) nanoclusters.

Nat Commun 2020 Jul 3;11(1):3349. Epub 2020 Jul 3.

School of Chemistry and Chemical Engineering, Nanjing University, 210093, Nanjing, China.

The discovery of atomically precise nanoclusters is generally unpredictable, and the rational synthesis of nanoclusters guided by the theoretical design is still in its infancy. Here we present a de novo design of Au(SR) nanoclusters, from theoretical prediction to experimental synthesis and characterization of their physicochemical properties. The crystal structure of an Au(SR) nanocluster perfectly matches the simulated structural pattern with Au tetrahedral units along a two-dimensional growth. Read More

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http://dx.doi.org/10.1038/s41467-020-17132-5DOI Listing

Association between Serum Essential Metal Elements and the Risk of Schizophrenia in China.

Sci Rep 2020 Jul 3;10(1):10875. Epub 2020 Jul 3.

Central Laboratory of School of Public Health, Peking University, Beijing, 100191, China.

Numerous essential metal elements (EMEs) are necessary to maintain the proper function of human body. In this case-control study, we investigated the associations of 11 EMEs [Calcium (Ca), potassium (K), magnesium (Mg), sodium (Na), manganese (Mn), selenium (Se), cobalt (Co), Molybdenum (Mo), copper (Cu), zinc (Zn), and iron (Fe)] in serum with the risk of schizophrenia. We recruited first-episode and drug-naïve schizophrenic patients (cases = 99) and age-sex-matched normal subjects (controls = 99) from Tangshan, Hebei Province, China. Read More

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http://dx.doi.org/10.1038/s41598-020-66496-7DOI Listing

Effect of surface characteristic of different restorative materials containing glass ionomer on biofilm.

Niger J Clin Pract 2020 Jul;23(7):957-964

Department of Biostatistics and Medical Informatics, Faculty of Medicine, Suleyman Demirel University, Isparta, Turkey.

Aim: The aims of this study were to evaluate the surface morphology and surface roughness of restorative materials containing glass ionomer, analyze Streptococcus mutans biofilm formation on the surface of materials, and determine the correlation between surface roughness and biofilm.

Materials And Methods: Four restorative materials: resin-modified glass ionomer; giomer; amalgomer; and glass carbomer were used and for each material, 6 mm in diameter and 2 mm in thickness disc-shaped specimens were prepared to evaluate the surface morphology (n = 3), surface roughness (n = 16), and biofilm (n = 20). Surface morphology was analyzed with a scanning electron microscope. Read More

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http://dx.doi.org/10.4103/njcp.njcp_538_19DOI Listing

Composite CDE: modeling composite relationships between common data elements for representing complex clinical data.

BMC Med Inform Decis Mak 2020 Jul 3;20(1):147. Epub 2020 Jul 3.

Seoul National University Biomedical Informatics (SNUBI), Division of Biomedical Informatics, Seoul National University College of Medicine, Seoul, 03080, Republic of Korea.

Background: Semantic interoperability is essential for improving data quality and sharing. The ISO/IEC 11179 Metadata Registry (MDR) standard has been highlighted as a solution for standardizing and registering clinical data elements (DEs). However, the standard model has both structural and semantic limitations, and the number of DEs continues to increase due to poor term reusability. Read More

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http://dx.doi.org/10.1186/s12911-020-01168-0DOI Listing

Influence of differences in orientational planar density on the growth of Pb on the i-Ag-In-Yb quasicrystal.

J Phys Condens Matter 2020 Jul 3. Epub 2020 Jul 3.

Department of Physics, University of Liverpool, Liverpool, Merseyside, UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND.

Metal adsorption upon the 3-fold and 5-fold symmetric surfaces of the i-Ag-In-Yb quasicrystal has led to the observation of unique growth modes. Here, we present a study of the growth of Pb upon the 2-fold i-Ag-In-Yb surface, where the growth mechanism is found to be different from those observed on the other, higher symmetry surfaces of the same system. Initial Pb atoms occupy non-chemically-specific surface sites before forming a row structure. Read More

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http://dx.doi.org/10.1088/1361-648X/aba294DOI Listing

Redispersion of cryoaggregated gold nanoparticle by means of laser irradiation and effect on biological interactions.

Nanotechnology 2020 Jul 3. Epub 2020 Jul 3.

Department of Biological Sciences and Bioengineering, Indian Institute of Technology Kanpur, Kanpur, INDIA.

Agglomeration/aggregation is an indispensable phenomenon observed by different nanoparticles. In the present study, commercial grade (50nm) and chemically synthesized (40nm) gold nanoparticles (AuNPs) were aggregated at sub-zero temperatures, followed by disruption of the AuNP aggregates via nanosecond laser-ablation and subsequent effect on biological interactions. AuNPs were characterized pre/post laser-ablation via UV-visible spectroscopy, transmission electron microscopy, atomic force microscopy, etc. Read More

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http://dx.doi.org/10.1088/1361-6528/aba2a1DOI Listing

Bending moduli for forty-four select atomic monolayers from first principles.

Nanotechnology 2020 Jul 3. Epub 2020 Jul 3.

Georgia Institute of Technology, Atlanta, 30332-0002, UNITED STATES.

We calculate bending moduli along the principal directions for forty-four select atomic monolayers using ab initio Density Functional Theory (DFT). Specifically, considering representative materials from each of Groups IV, III-V, V monolayers, Group IV monochalcogenides, transition metal trichalcogenides, transition metal dichalcogenides, and Group III monochalcogenides, we utilize the recently developed Cyclic DFT method to calculate the bending moduli in the practically relevant but previously intractable low-curvature limit. We find that the moduli generally increase with thickness of the monolayer, while spanning three orders of magnitude between the different materials. Read More

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http://dx.doi.org/10.1088/1361-6528/aba2a2DOI Listing

Synergies of surface roughness and hydration on colloid detachment in saturated porous media: Column and atomic force microscopy studies.

Water Res 2020 Jun 20;183:116068. Epub 2020 Jun 20.

USDA, ARS, U.S. Salinity Laboratory, Riverside, CA, 92507-4617, United States. Electronic address:

Saturated column experiments were conducted to systematically examine the influence of hydration on the detachment of nano- and micro-sized latex colloids (35 nm and 1 μm, respectively) from sand. The colloids were attached on the sand in primary minima (PM) using high ionic strength (IS) NaCl solutions. The PM were predicted to be shallower and located farther from sand surfaces with increasing IS due to the hydration force. Read More

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http://dx.doi.org/10.1016/j.watres.2020.116068DOI Listing

Characterization and inhibitory activities on α-amylase and α-glucosidase of the polysaccharide from blue honeysuckle berries.

Int J Biol Macromol 2020 Jun 30. Epub 2020 Jun 30.

College of Art and Science, Northeast Agricultural University, Harbin 150030, China; National-Local Joint Engineering Research Center for Development and Utilization of Small Fruits in Cold Regions, 150030, China. Electronic address:

An acidic heteropolysaccharide HEP-2 was obtained from blue honeysuckle berry extracts after purification using Sepharose 6B and Sephadex G-200 column chromatography. The molecular weight of HEP-2, determined with high-performance gel permeation chromatography, was 3.01 × 10 Da. Read More

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http://dx.doi.org/10.1016/j.ijbiomac.2020.06.267DOI Listing

Porous carbon supported Calcium oxide for CO adsorption and separation of CO/CH.

Environ Technol 2020 Jul 3:1-21. Epub 2020 Jul 3.

Department of Applied and Environmental Chemistry, Interdisciplinary Excellence Centre, University of Szeged, Rerrich Bel ter 1, Szeged 6720, Hungary.

Calcium oxide incorporated porous carbon materials were synthesized by the impregnation method to study CO adsorption and separation of CO/CH. The X-ray diffraction, Raman analysis, N isotherms at 77 K, and SEM with EDX analysis were used to characterize synthesized materials. XRD and N isotherm results have confirmed that synthesized carbon has porosity, and EDX analysis has reported that the presence of CaO on porous carbon. Read More

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http://dx.doi.org/10.1080/09593330.2020.1791973DOI Listing

A Critical Review on Application of Extraction Methods Prior to Spectrometric Determination of Trace-Metals in Oily Matrices.

Crit Rev Anal Chem 2020 Jul 3:1-18. Epub 2020 Jul 3.

Department of Chemistry, College of Science and Engineering and Technology, University of South Africa, Johannesburg, South Africa.

The presence of heavy metals in oily matrices (edible oils or crude-oil and its derivatives) cannot be controlled or prevented as they occur naturally during oil genesis. However, the presence of these metal ions in oils has negative effects, because some metal ions can act as catalyst poisons, refinery corroders and environmental pollutants during refinery processes. Additionally, some metal ions have negative health impacts when consumed by living organisms. Read More

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http://dx.doi.org/10.1080/10408347.2020.1781591DOI Listing

Structure-Interaction Relationship of Polymyxins with the Membrane of Human Kidney Proximal Tubular Cells.

ACS Infect Dis 2020 Jul 3. Epub 2020 Jul 3.

Multidrug-resistant Gram-negative bacteria are a serious global threat to human health. Polymyxins are increasingly used in patients as a last-line therapy to treat infections caused by these life-threatening 'superbugs'. Unfortunately, polymyxin-induced nephrotoxicity is the major dose-limiting factor and understanding its mechanism is crucial for the development of novel, safer polymyxins. Read More

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http://dx.doi.org/10.1021/acsinfecdis.0c00190DOI Listing

SuSMoST: Surface Science Modeling and Simulation Toolkit.

J Comput Chem 2020 Jul 3. Epub 2020 Jul 3.

Department of Chemical Engineering, Omsk State Technical University, Omsk, Russia.

We present to the scientific community the Surface Science Modeling and Simulation Toolkit (SuSMoST), which includes a number of utilities and implementations of statistical physics algorithms and models. With SuSMoST it is possible to predict or explain the structure and thermodynamic properties of adsorption layers. SuSMoST automatically builds formal graph and tensor-network models based on atomic description of adsorption complexes and helps to do ab initio calculations of interactions between adsorbed species. Read More

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http://dx.doi.org/10.1002/jcc.26370DOI Listing

Clinical utility of target capture-based panel sequencing in hematological malignancies: a multicenter feasibility study.

Cancer Sci 2020 Jul 3. Epub 2020 Jul 3.

Clinical Research Center, National Hospital Organization Nagoya Medical Center, Nagoya, Japan.

Although next-generation sequencing-based panel testing is well-practiced in the field of cancer medicine for the identification of target molecules in solid tumors, the clinical utility and clinical issues surrounding panel testing in hematological malignancies have yet to be fully evaluated. We conducted a multicenter prospective clinical-sequencing study to verify the feasibility of a panel test for hematological tumors, including acute myeloid leukemia, acute lymphoblastic leukemia, multiple myeloma, and diffuse large B-cell lymphoma. Out of 96 eligible patients, 79 patients (82%) showed potentially actionable findings, based on the clinical-sequencing assays. Read More

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http://dx.doi.org/10.1111/cas.14552DOI Listing

Electronic structural regulation of CoP nanorods by the tunable incorporation of oxygen for enhanced electrocatalytic activity during the hydrogen evolution reaction.

Nanoscale 2020 Jul 3. Epub 2020 Jul 3.

Jiangsu Key Laboratory of New Power Batteries, Jiangsu Collaborative Innovation Center of Biomedical Functional Materials, School of Chemistry and Materials Science, Nanjing Normal University, Nanjing 210023, China.

The exploration of cost-effective and highly efficient electrocatalysts for the hydrogen evolution reaction (HER) is of great significance for realizing sustainable H2 production. As previously proposed, anion incorporation in promising earth-abundant transition metal-based electrocatalysts could be a reasonable and competitive approach to regulate the electronic structure with optimized atomic hydrogen adsorption and desorption for enhanced intrinsic electrocatalytic performance during the HER. Herein, we present the rational design and fabrication of O-incorporated CoP (expressed as O-CoP) nanorods with a controllable component and electronic structure. Read More

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http://dx.doi.org/10.1039/d0nr03685dDOI Listing

Adsorption geometry and self-assembling of chiral modifier (R)-(+)-1-(1-naphthylethylamine) on Pt(111).

Phys Chem Chem Phys 2020 Jul 3. Epub 2020 Jul 3.

Institute of Physical Chemistry, Christian-Albrechts-University, Kiel Max-Eyth-Str. 2, 24118 Kiel, Germany.

A mechanistic study on interaction of a chiral modifier - (R)-(+)-1-(1-naphthylethylamine) (R-NEA) - with a single crystalline Pt(111) surface is reported. The details of the adsorption geometry of individual R-NEA molecules and their intermolecular interactions are addressed by combination of infrared reflection absorption spectroscopy (IRAS) and scanning tunneling microscopy (STM). The spectroscopic observations suggest that the molecules are tilted with respect to the underlying metal substrate with the long axis of the naphthyl ring being parallel and the short axis tilted with respect to the surface. Read More

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http://dx.doi.org/10.1039/d0cp01946aDOI Listing

Effect of a Single Application of CPP-ACPF Varnish on the Prevention of Erosive Tooth Wear: An AAS, AFM and SMH Study.

Oral Health Prev Dent 2020 Apr 1;18(2):311-318. Epub 2020 Apr 1.

Purpose: The aim of this study was to investigate the in vitro effect of casein phosphopeptide-amorphous calcium phosphate (CPP-ACP) and fluoride-containing varnish on prevention enamel erosive tooth wear.

Materials And Methods: A total of 28 enamel samples were prepared from human molars, divided into four groups: CPP-ACPF varnish, TCP-F varnish, NaF varnish, and deionised water. For the remineralisation process stimulated human pooled saliva was used. Read More

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http://dx.doi.org/10.3290/j.ohpd.a43365DOI Listing

Tuning trion binding energy and oscillator strength in a laterally finite 2D system: CdSe nanoplatelets as a model system for trion properties.

Nanoscale 2020 Jul 3. Epub 2020 Jul 3.

Institute of Optics and Atomic Physics, Technische Universität Berlin, Strasse des 17. Juni 135, 10623 Berlin, Germany.

We present a theoretical study combined with experimental validations demonstrating that CdSe nanoplatelets are a model system to investigate the tunability of trions and excitons in laterally finite 2D semiconductors. Our results show that the trion binding energy can be tuned from 36 meV to 18 meV with the lateral size and decreasing aspect ratio, while the oscillator strength ratio of trions to excitons decreases. In contrast to conventional quantum dots, the trion oscillator strength in a nanoplatelet at low temperature is smaller than that of the exciton. Read More

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http://dx.doi.org/10.1039/d0nr03170dDOI Listing

Tailoring Electronic and Magnetic Properties of Graphene by Phosphorus Doping.

ACS Appl Mater Interfaces 2020 Jul 3. Epub 2020 Jul 3.

The electronic and magnetic properties of graphene can be modulated by doping it with other elements, especially those with a different number of valence electrons. In this article, we first provide a three-dimensional reconstruction of the atomic structure of a phosphorus substitution in graphene by using aberration-corrected scanning transmission electron microscopy. Turning then to theoretical calculations based on density functional theory (DFT), we show that that doping phosphorus in various bonding configurations can induce magnetism in graphene. Read More

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http://dx.doi.org/10.1021/acsami.0c07564DOI Listing

Rapid and Large-area Visualization of Grain Boundaries in MoS2 on SiO2 Using Vapor Hydrofluoric Acid.

ACS Appl Mater Interfaces 2020 Jul 3. Epub 2020 Jul 3.

Grain boundaries in 2D material layers are impacting their electrical, optoelectronic and mechanical properties. Therefore, the availability of simple large-area characterization approaches that can directly visualize grains and grain boundaries in 2D materials such as molybdenum disulfide (MoS2) is critical. Previous approaches for visualizing grains and grain boundaries in MoS2 are typically based on atomic resolution microscopy or optical imaging techniques (i. Read More

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http://dx.doi.org/10.1021/acsami.0c06910DOI Listing

An Ultraviolet Thermally Activated Delayed Fluorescence OLED with Total External Quantum Efficiency over 9.

Adv Mater 2020 Jul 2:e2001248. Epub 2020 Jul 2.

Key Laboratory of Green Chemistry and Technology (Ministry of Education), College of Chemistry, Sichuan University, Chengdu, 610064, P. R. China.

Owing to the difficulty in acquiring compounds with combined high energy bandgaps and lower-lying intramolecular charge-transfer excited states, the development of ultraviolet (UV) thermally activated delayed fluorescence (TADF) materials is quite challenging. Herein, through interlocking of the diphenylsulfone (PS) acceptor unit of a reported deep-blue TADF emitter (CZ-PS) by a dimethylmethylene bridge, CZ-MPS, a UV-emissive TADF compound bearing a shallower LUMO energy level and a more rigid structure than those of CZ-PS is achieved. This represents the first example of a UV-emissive TADF compound. Read More

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http://dx.doi.org/10.1002/adma.202001248DOI Listing

Anti-inflammatory and analgesic effect of LD-RT and some novel thiadiazole derivatives through COX-2 inhibition.

Arch Pharm (Weinheim) 2020 Jul 2:e2000094. Epub 2020 Jul 2.

Department of Drug Radiation Research, National Centre for Radiation Research & Technology (NCRRT), Egyptian Atomic Energy Authority (EAEA), Cairo, Egypt.

Generally, highly selective COX-2 inhibitors cause cardiovascular side effects. Celecoxib is the highly marketed coxib, so there is still a need for the synthesis of COX-2 inhibitors with less adverse effects. Moreover, low-dose radiotherapy (LD-RT) is clinically used for the treatment of inflammatory diseases. Read More

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http://dx.doi.org/10.1002/ardp.202000094DOI Listing

Confirmation of Induced Tolerance to Alternaria Blight Disease in Indian Mustard (Brassica juncea L.).

Appl Biochem Biotechnol 2020 Jul 2. Epub 2020 Jul 2.

ICAR-Directorate of Rapeseed-Mustard Research, Bharatpur, Rajasthan, 321 303, India.

Indian mustard (Brassica juncea L.) is an important edible oilseed crop in India. Low productivity is the major concern which is adversely affected by biotic stresses. Read More

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http://dx.doi.org/10.1007/s12010-020-03362-2DOI Listing

Heavy metals analysis in chalk sticks based on ICP-AES and their associated health risk.

Environ Sci Pollut Res Int 2020 Jul 2. Epub 2020 Jul 2.

Institute of Environmental Science, Shanxi University, Wucheng Road 92#, Taiyuan, 030006, Shanxi Province, People's Republic of China.

The purpose of this study was to determine the contents of 12 metals in obtainable chalk sticks and assess their associated health risk. Chalk stick samples from 16 factories were analyzed by inductively coupled plasma-atomic emission spectrometry (ICP-AES). The results showed that 12 metals were detectable in white and colored chalks. Read More

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http://dx.doi.org/10.1007/s11356-020-09884-wDOI Listing

Production of the anticancer drug taxol by the endophytic fungus Epicoccum nigrum TXB502: enhanced production by gamma irradiation mutagenesis and immobilization technique.

Appl Microbiol Biotechnol 2020 Jul 2. Epub 2020 Jul 2.

Department of Botany and Microbiology, Faculty of Science, Zagazig University, Zagazig, Egypt.

Taxol, a phyto-extracted diterpenoid, is the most commercially needed drug in cancer chemotherapy. In spite of the microbial production of taxol being successful and prospective, the reported yields are still not sufficient for large-scale production. Thus, the discovery of new taxol-producing microbial strains and production enhancement methodologies such as process optimization, strain improvement, and immobilization technique are the main objectives. Read More

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http://dx.doi.org/10.1007/s00253-020-10712-xDOI Listing

Mechanism of powellite crystallite expansion within nano-phase separated amorphous matrices under Au-irradiation.

Phys Chem Chem Phys 2020 Jul 3. Epub 2020 Jul 3.

Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge, CB23EQ, UK.

A fundamental approach was taken to understand the implications of increased nuclear waste loading in the search for new materials for long-term radioisotope encapsulation. This study focused on the formation and radiation tolerance of glass ceramics with selectively induced CaMoO4 as a form to trap the problematic fission product molybdenum. Several samples were synthesised with up to 10 mol% MoO3 within a soda lime borosilicate matrix, exhibiting phase separation on the nano scale according to thermal analysis, which detected two glass transition temperatures. Read More

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http://dx.doi.org/10.1039/d0cp02447cDOI Listing

Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures.

Nat Methods 2020 Jul 2;17(7):699-707. Epub 2020 Jul 2.

Biophysics Program, Stanford University, Stanford, CA, USA.

The discovery and design of biologically important RNA molecules is outpacing three-dimensional structural characterization. Here, we demonstrate that cryo-electron microscopy can routinely resolve maps of RNA-only systems and that these maps enable subnanometer-resolution coordinate estimation when complemented with multidimensional chemical mapping and Rosetta DRRAFTER computational modeling. This hybrid 'Ribosolve' pipeline detects and falsifies homologies and conformational rearrangements in 11 previously unknown 119- to 338-nucleotide protein-free RNA structures: full-length Tetrahymena ribozyme, hc16 ligase with and without substrate, full-length Vibrio cholerae and Fusobacterium nucleatum glycine riboswitch aptamers with and without glycine, Mycobacterium SAM-IV riboswitch with and without S-adenosylmethionine, and the computer-designed ATP-TTR-3 aptamer with and without AMP. Read More

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http://dx.doi.org/10.1038/s41592-020-0878-9DOI Listing

Mesoporous ZnAlSiO nanofertilizers enable high yield of Oryza sativa L.

Sci Rep 2020 Jul 2;10(1):10841. Epub 2020 Jul 2.

Research School of Chemistry, Australian National University, Canberra, ACT, 2601, Australia.

Controllable release of nutrients in soil can overcome the environmental problems associated with conventional fertilizer. Here we synthesized mesoporous nanocomposite of Zinc aluminosilicate (ZnAlSiO) via co-precipitation method. Oryza sativa L. Read More

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http://dx.doi.org/10.1038/s41598-020-67611-4DOI Listing

Potential for sub-mm long erbium-doped composite silicon waveguide DFB lasers.

Sci Rep 2020 Jul 2;10(1):10878. Epub 2020 Jul 2.

Université Paris-Saclay, CNRS, Centre de Nanosciences et de Nanotechnologies, 91120, Palaiseau, France.

Compact silicon integrated lasers are of significant interest for various applications. We present a detailed investigation for realizing sub-mm long on-chip laser structures operating at λ = 1.533 µm on the silicon-on-insulator photonic platform by combining a multi-segment silicon waveguide structure and a recently demonstrated erbium-doped thin film deposition technology. Read More

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http://dx.doi.org/10.1038/s41598-020-67722-yDOI Listing

Graves' disease.

Nat Rev Dis Primers 2020 Jul 2;6(1):52. Epub 2020 Jul 2.

Department of Medicine I, Johannes Gutenberg University Medical Centre, Mainz, Germany.

Graves' disease (GD) is an autoimmune disease that primarily affects the thyroid gland. It is the most common cause of hyperthyroidism and occurs at all ages but especially in women of reproductive age. Graves' hyperthyroidism is caused by autoantibodies to the thyroid-stimulating hormone receptor (TSHR) that act as agonists and induce excessive thyroid hormone secretion, releasing the thyroid gland from pituitary control. Read More

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http://dx.doi.org/10.1038/s41572-020-0184-yDOI Listing

Explosive Fibonacci-sequence growth into unusual sector-face morphology in poly(L-lactic acid) crystallized with polymeric diluents.

Sci Rep 2020 Jul 2;10(1):10811. Epub 2020 Jul 2.

Department of Chemical Engineering, National Cheng Kung University, No. 1 University Road, Tainan, 70101, Taiwan.

Lamellar assembly in unusual sector-face PLLA spherulites from crystallization of poly(L-lactic acid) (PLLA) diluted with amorphous poly(methyl methacrylate) (PMMA). The growth and morphology of the crystalline structures is studied using polarized optical microscopy (POM), atomic-force and scanning electron microscopies (AFM, SEM). Crystals are also analyzed using differential scanning calorimetry (DSC) and small-angle X-ray scattering (SAXS). Read More

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http://dx.doi.org/10.1038/s41598-020-67567-5DOI Listing

PreMetabo: An in silico phase I and II drug metabolism prediction platform.

Drug Metab Pharmacokinet 2020 May 31. Epub 2020 May 31.

Department of Biotechnology, Yonsei University, Seoul 120-479, Republic of Korea; Bioinformatics & Molecular Design Research Center, Seoul 120-749, Republic of Korea. Electronic address:

This study aimed to develop a drug metabolism prediction platform using knowledge-based prediction models. Site of Metabolism (SOM) prediction models for four cytochrome P450 (CYP) subtypes were developed along with uridine 5'-diphosphoglucuronosyltransferase (UGT) and sulfotransferase (SULT) substrate classification models. The SOM substrate for a certain CYP was determined using the sum of the activation energy required for the reaction at the reaction site of the substrate and the binding energy of the substrate to the CYP enzyme. Read More

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http://dx.doi.org/10.1016/j.dmpk.2020.05.007DOI Listing