jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Linzhao Zhu | Zhiyong Zhao | Xiongzhi Zhang | Haijun Zhang | Feng Liang | Simin Liu
Source: Molecules (article, 2018-04-18)
Field: Chemistry — Spectroscopy

A Highly Selective and Strong Anti-Interference Host-Guest Complex as Fluorescent Probe for Detection of Amantadine by Indicator Displacement Assay Amantadine (AMA) and its derivatives are illicit veterinary drugs that are hard to detect at very low concentrations. Developing a fast, simple and highly sensitive method for the detection of AMA is highly in demand. Here, we designed an anthracyclic compound (ABAM) that binds to a cucurbit[7]uril (CB[7]) host with a high association constant of up to 8.7 × 10⁸ M<sup>−1</sup>. The host-guest complex was then used as a fluorescent probe for the detection of AMA. Competition by AMA for occupying the cavity of CB[7] allows ABAM to release from the CB[7]-ABAM complex, causing significant fluorescence quenching of ABAM (indicator displacement assay, IDA). The linear range of the method is from 0.000188 to 0.375 μg/mL, and the detection limit can be as low as 6.5 × 10<sup>−5</sup> μg/mL (0.35 nM). Most importantly, due to the high binding affinity between CB[7] and ABAM, this fluorescence host-guest system shows great anti-interference capacity. Thus, we are able to accurately determine the concentration of AMA in various samples, including pharmaceutical formulations. Fluorescence ; Detection limit ; Amantadine ; Chemistry ; Host (biology) ; Binding constant ; Interference (communication) ; Quenching (fluorescence) ; Displacement (psychology) ; Biophysics ; Combinatorial chemistry ; Chromatography ; Binding site ; Biology ; Virology ; Biochemistry Molecular Sensors and Ion Detection ; Supramolecular Chemistry and Complexes ; Luminescence and Fluorescent Materials
Authors: Jana Banner | Maria Dautzenberg | Theresa Feldhans | Julia Hofmann | Pia Plümer | Andrea Ehrmann
Source: Tekstilec (article, 2018-06-27)
Field: Materials Science — Biomaterials

Water Resistance and Morphology of Electrospun Gelatine Blended with Citric Acid and Coconut Oil Bio-polymer gelatine can be found in a broad variety of applications, mostly in the food industry. Moreover, it is used in the encapsulation of active pharmaceutical ingredients. In electrospinning, it is used for drug release, but can also strongly infl uence the morphologies of nanofi ber mats when blended with other polymers. In a recent project, we studied the infl uence of adding citric acid and coconut oil to gelatine electrospinning solutions. While the former can be used to modify gelatine nanofi ber diameters and create diverse morphologies between the fi bres and sprayed droplets of diff erent shapes, the latter results in an electrospraying process and additionally increases water resistance, suggesting a possible use of the combination for tailored drug release. Citric acid ; Coconut oil ; Morphology (biology) ; Water resistance ; Electrospinning ; Food science ; Materials science ; Pulp and paper industry ; Chemical engineering ; Chemistry ; Composite material ; Polymer ; Engineering ; Biology Electrospun Nanofibers in Biomedical Applications
Authors: Anthony J. Kenyon | Manveer Singh Munde | Wing H. Ng | Mark Buckwell | Dovydas Joksas | Adnan Mehonić
Source: Faraday Discussions (article, 2018-07-03)
Field: Chemistry — Electrochemistry

The interplay between structure and function in redox-based resistance switching We report a study of the relationship between oxide microstructure at the scale of tens of nanometres and resistance switching behaviour in silicon oxide. In the case of sputtered amorphous oxides, the presence of columnar structure enables efficient resistance switching by providing an initial structured distribution of defects that can act as precursors for the formation of chains of conductive oxygen vacancies under the application of appropriate electrical bias. Increasing electrode interface roughness decreases electroforming voltages and reduces the distribution of switching voltages. Any contribution to these effects from field enhancement at rough interfaces is secondary to changes in oxide microstructure templated by interface structure. Redox ; Resistance (ecology) ; Function (biology) ; Chemistry ; Materials science ; Biology ; Cell biology ; Inorganic chemistry Electrochemical Analysis and Applications ; Advanced Memory and Neural Computing ; Photoreceptor and optogenetics research
Authors: B Bora | U Saha | V Gnanamoorthi | G Devaradjane | D Rakopoulos | S Senthur Prabu | M Asokan | Rahul Roy | Steff Francis | M Sreelekh | S Natarajan | M Akshay Kumar | A Meenakshi Sundareswaran | S Shankar | Zhi Chao Ong | Mohd Bakar | Mohd Mishani | Wen Chong | Roon Sheng Soon | Zubaidah Ismail | S Soha | Nour Mostafa | Sh | El-Gendy | Manuel Garcia-Perez | Jun Shen | Xiao Wang | Chun-Zhu Li | R El-Araby | A Ashraf Amin | N El Morsi | G El-Ibiari | El-Diwani | Shiliang Wu | Hongwei Yang | Jun Hu | Dekui Shen | Rui Xiao | Carlo Beatrice | Pierpaolo Napolitano | Chiara Guido | Ali Md Nurun Nabi | Zare | M Farhad | Timothy Hossain | Richard Bodisco | Brown | Arkadiusz Jamrozik | Y Arakshita Majhi | D Sharma | Naik | Biwei Tang | Zhanxia Zhu | Hyo-Sang Shin | Antonios Tsourdos | Jianjun Luo | Jiamei Deng | Richard Stobart | Maass | Bastian | T Vrionis | X Koutiva | N Vovos | Junhao Zhang | Pinqi Xia
Source: Journal of Computational Mechanics Power System and Control (article, 2018-10-01)
Field: Chemistry — Analytical Chemistry

Enhancement in Biodiesel Blend with the Aid of Neural Network and SAPSO Biodiesel is accessible in a number of diverse blends. It can be blended with petro-diesel or can be utilized as a fuel on its own. Hence, biogas run Dual Fuel Diesel Engines (DFDE) offer an attractive replacement for traditional diesel engines. Nevertheless, the biogas run DFDE are overwhelmed by the troubles of high emissions and low efficiency. Hence, this paper focuses on the issues related to conventional fuel diesels and has established a diesel oil blend with better efficiency. Moreover, a Self Adaptive Particle Swarm Optimization (SAPSO) is adopted to analyze the performance of engines and emissions. In addition, the proposed method is compared with Genetic Algorithm (GA) and PSO and the results are obtained. Biodiesel ; Artificial neural network ; Environmental science ; Process engineering ; Computer science ; Artificial intelligence ; Engineering ; Chemistry ; Catalysis ; Organic chemistry Spectroscopy and Chemometric Analyses ; Biodiesel Production and Applications
Authors: Mathias Uhlén | Hanna Tegel | Åsa Sivertsson | Chih‐Chung Kuo | Jahir M. Gutierrez | Nathan E. Lewis | Björn Forsström | Melanie Dannemeyer | Linn Fagerberg | Magdalena Malm | Helian Vunk | Fredrik Edfors | Andreas Hober | Evelina Sjöstedt | David Kotol | Jan Mulder | Adil Mardinoğlu | Jochen M. Schwenk | Peter Nilsson | Martin Zwahlen | Jenny Ottosson Takanen | Kalle von Feilitzen | Charlotte Stadler | Cecilia Lindskog | Fredrik Pontén | Jens Nielsen | Bernhard Ø. Palsson | Anna-Luisa Volk | Magnus Lundqvist | Anna Berling | Anne-Sophie Svensson | Sara Kanje | Henric Enstedt | Delaram Afshari | Siri Ekblad | Julia Scheffel | Borbala Katona | Jimmy Vuu | Emil Lindström | LanLan Xu | Roxana Mihai | Lucas Bremer | Malin Westin | Muna Muse | Lorenz M. Mayr | Sinéad Knight | Sven Göpel | Rick Davies | Paul Varley | Diane Hatton | Ray Fields | Björn G. Voldborg | Johan Rockberg | Lovisa Holmberg Schiavone | Sophia Hober
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2018-11-26)
Field: Chemistry — Spectroscopy

The human secretome – the proteins secreted from human cells Abstract The proteins secreted by human tissues (the secretome) are important for the basic understanding of human biology, but also for identification of potential targets for future diagnosis and therapy. Here, we present an annotation of all predicted secreted proteins (n=2,623) with information about their spatial distribution in the human body. A high-throughput mammalian cell factory was established to create a resource of recombinant full-length proteins. This resource was used for phenotypic assays involving β-cell dedifferentiation and for development of targeted proteomics assays. A comparison between host cells, including omics analysis, shows that many of the proteins that failed to be generated in CHO cells could be rescued in human HEK293 cells. In conclusion, the human secretome has been mapped and characterized to facilitate further exploration of the human secretome. Proteomics ; Recombinant DNA ; Biology ; Secretory protein ; Computational biology ; Phenotype ; Human proteins ; Cell biology ; HEK 293 cells ; Cell ; Secretion ; Cell culture ; Gene ; Biochemistry ; Genetics Advanced Proteomics Techniques and Applications ; Pancreatic function and diabetes ; Viral Infectious Diseases and Gene Expression in Insects
Authors: Jiazheng Lu | Pengkang Xie | Zhen Fang | Jianping Hu
Source: Energies (article, 2018-06-20)
Field: Materials Science — Materials Chemistry

Electro-Thermal Modeling of Metal-Oxide Arrester under Power Frequency Applied Voltages Metal-oxide arresters (MOAs) are used to absorb the electrical energy resulting from overvoltages in power systems. However, temperature rises caused by the absorbed energy can lead to the electrothermal failure of MOAs. Therefore, it is necessary to analyze the electric and thermal characteristics of MOAs. In this paper, in order to study the electric and thermal characteristics of MOAs under power frequency voltage, an improved electrothermal model of an MOA is presented. The proposed electrothermal model can be divided into an electric model and a thermal model. In the electric model, based on the conventional MOA electric circuit, the effect of temperature on the voltage–current (V–I) characteristics of an MOA has been obtained. Using temperature and applied voltage as input data, the current flows through the MOA can be calculated using the artificial neural network (ANN) method. In the thermal model, the thermal circuit of a MOA has been built. The varistor power loss obtained from the electric model is used as input data, and the temperature of the zinc oxide varistors can be calculated. Therefore, compared with the existing MOA models, the interaction of leakage current and temperature can be considered in the proposed model. Finally, experimental validations have been done, and the electrothermal characteristics of an MOA have been studied by simulation and experimental methods. The electrothermal model proposed in this paper can assist with the prediction of the electric and thermal characteristics of MOAs. Varistor ; Voltage ; Surge arrester ; Materials science ; Electrical engineering ; Thermal ; Lightning arrester ; Electric power ; Power (physics) ; Nuclear engineering ; Engineering ; Physics ; Thermodynamics High voltage insulation and dielectric phenomena ; Lightning and Electromagnetic Phenomena ; Electrical Fault Detection and Protection
Authors: Marco Drache | Katrin Brandl | Rebecca Reinhardt | Sabine Beuermann
Source: Physical Chemistry Chemical Physics (article, 2018-01-01)
Field: Chemistry — Organic Chemistry

<i>Ab initio</i>kinetic Monte Carlo simulation of seeded emulsion polymerizations of styrene Seeded emulsion polymerizations of styrene are modeled on the basis of a detailed kinetic scheme accounting for the chain length and conversion dependence of termination rate coefficients. A holistic kinetic Monte Carlo approach was developed, which simulates the elemental reactions in the aqueous phase, the transfer of radicals into individual particles, and the radical polymerization in each particle based on a complete kinetic model. Experimentally-derived particle size distributions are used as input for the simulations. The required rate coefficients were taken from literature. Without any adjustment of this data a very good agreement between simulation results and experimental data is found. The validation of the model is performed based on monomer conversion - time data and full molar mass distributions. Styrene ; Monte Carlo method ; Kinetic Monte Carlo ; Kinetic energy ; Ab initio ; Emulsion polymerization ; Emulsion ; Materials science ; Seeding ; Computational chemistry ; Chemistry ; Polymerization ; Copolymer ; Thermodynamics ; Physics ; Organic chemistry ; Polymer ; Mathematics Advanced Polymer Synthesis and Characterization ; Analytical Chemistry and Chromatography ; Radioactive element chemistry and processing
Authors: Wei Mao | Markus Wilde | Shohei Ogura | Jikun Chen | Katsuyuki Fukutani | Hiroyuki Matsuzaki | Takayuki Terai
Source: The Journal of Physical Chemistry C (article, 2018-09-10)
Field: Materials Science — Materials Chemistry

Hydrogen-Accelerated Phase Transition and Diffusion in TiO<sub>2</sub> Thin Films TiO2 thin films have received attention as intermetallic diffusion barriers in hydrogen-permeable membranes used for the extraction of purified H2 from chemical reactors. We report the fabrication of thin (∼100 nm) TiO2 films on Si(111) substrates by pulsed laser deposition. Anatase and rutile phases are found to coexist in the as-deposited TiO2 films by X-ray diffraction. Upon H2 annealing at 773–973 K, the phase transformation from anatase to rutile occurs and completes at a strongly (100–380 K) reduced temperature as compared to bulk TiO2. Atomic force microscopy shows that the surface roughness of the thin films increases only slightly (from 3 to 6 nm) in this H-accelerated phase transition. The hydrogen depth distributions in the TiO2 thin films are revealed with resonant 1H(15N,αγ)12C nuclear reaction analysis and evaluated in terms of a one-dimensional diffusion model, which allows the determination of the temperature-dependent diffusion coefficient of hydrogen as D(T) = (5.27 ± 0.89) × 10–8 exp(−0.86 ± 0.02 eV/kBT) m2 s–1. This H diffusivity is slightly smaller than that in the single-crystal rutile phase, and has a relatively larger activation energy, which is compatible with H trapping at the residual defects in the polycrystalline TiO2 films. Materials science ; Thin film ; Anatase ; Analytical Chemistry (journal) ; Rutile ; Hydrogen ; Crystallite ; Annealing (glass) ; Nuclear reaction analysis ; Thermal diffusivity ; Activation energy ; Nanotechnology ; Chemical engineering ; Chemistry ; Physical chemistry ; Composite material ; Metallurgy ; Thermodynamics ; Photocatalysis Electronic and Structural Properties of Oxides ; Catalytic Processes in Materials Science ; ZnO doping and properties
Authors: Vivek Trivedi | Uttom Nandi | Mohammed Maniruzzaman | Nichola J. Coleman
Source: Drug Delivery and Translational Research (article, 2018-01-23)
Field: Materials Science — Biomaterials

Intercalated theophylline-smectite hybrid for pH-mediated delivery On the basis of their large specific surface areas, high adsorption and cation exchange capacities, swelling potential and low toxicity, natural smectite clays are attractive substrates for the gastric protection of neutral and cationic drugs. Theophylline is an amphoteric xanthine derivative that is widely used as a bronchodilator in the treatment of asthma and chronic obstructive pulmonary disease. This study considers the in vitro uptake and release characteristics of the binary theophylline-smectite system. The cationic form of theophylline was readily ion exchanged into smectite clay at pH 1.2 with a maximum uptake of 67 ± 2 mg g<sup>-1</sup>. Characterisation of the drug-clay hybrid system by powder X-ray diffraction analysis, Fourier transform infrared spectroscopy, differential scanning calorimetry and scanning electron microscopy confirmed that the theophylline had been exclusively intercalated into the clay system in an amorphous form. The drug remained bound within the clay under simulated gastric conditions at pH 1.2; and the prolonged release of approximately 40% of the drug was observed in simulated intestinal fluid at pH 6.8 and 7.4 within a 2-h timeframe. The incomplete reversibility of the intercalation process was attributed to chemisorption of the drug within the clay lattice. These findings indicate that smectite clay is a potentially suitable vehicle for the safe passage of theophylline into the duodenum. Protection from absorption in the stomach and subsequent prolonged release in the small intestine are advantageous in reducing fluctuations in serum concentration which may impact therapeutic effect and toxicity. Theophylline ; Chemistry ; Clay minerals ; Intercalation (chemistry) ; Adsorption ; Nuclear chemistry ; Inorganic chemistry ; Pharmacology ; Organic chemistry ; Mineralogy Clay minerals and soil interactions ; Therapeutic Uses of Natural Elements ; Layered Double Hydroxides Synthesis and Applications
Authors: Charlotte Rat | Julia C. Heiby | Jessica Bunz | Hannes Neuweiler
Source: Nature Communications (article, 2018-11-08)
Field: Materials Science — Biomaterials

Two-step self-assembly of a spider silk molecular clamp Web spiders synthesize silk fibers of unique strength and extensibility through the controlled self-assembly of protein building blocks, so-called spidroins. The spidroin C-terminal domain is highly conserved and connects two polypeptide chains through formation of an all-helical, intertwined dimer. Here we use contact-induced fluorescence self-quenching and resonance energy transfer in combination with far-UV circular dichroism spectroscopy as three orthogonal structural probes to dissect the mechanism of folding and dimerization of a spidroin C-terminal domain from the major ampullate gland of the nursery web spider Euprosthenops australis. We show that helices forming the dimer core assemble very rapidly and fold on association. Subsequently, peripheral helices fold and dock slowly onto the preformed core. Lability of outer helices facilitates formation of a highly expanded, partially folded dimer. The high end-to-end distance of chain termini in the partially folded dimer suggests an extensibility module that contributes to elasticity of spider silk. Spider silk ; Spider ; SILK ; Clamp ; Biology ; Zoology ; Computer science ; Computer graphics (images) ; Telecommunications Silk-based biomaterials and applications ; Invertebrate Immune Response Mechanisms ; RNA Interference and Gene Delivery
Authors: Satu Lahtinen | Stefan Krause | Riikka Arppe | Tero Soukka | Tom Vosch
Source: Chemistry - A European Journal (article, 2018-05-07)
Field: Chemistry — Spectroscopy

Upconversion Cross‐Correlation Spectroscopy of a Sandwich Immunoassay Fluorescence correlation and cross-correlation spectroscopy (FCS/FCCS) have enabled biologists to study processes of transport, binding, and enzymatic reactions in living cells. However, applying FCS and FCCS to samples such as whole blood and plasma is complicated as the fluorescence bursts of diffusing labels can be swamped by strong autofluorescence. Here we present cross-correlation spectroscopy based on two upconversion nanoparticles emitting at different wavelengths on the anti-Stokes side of a single excitation laser. This upconversion cross-correlation spectroscopy (UCCS) approach allows us to completely remove all Stokes shifted autofluorescence background in biological material such as plasma. As a proof of concept, we evaluate the applicability of UCCS to a homogeneous sandwich immunoassay for thyroid stimulating hormone measured in buffer solution and in plasma. Autofluorescence ; Fluorescence correlation spectroscopy ; Spectroscopy ; Immunoassay ; Fluorescence spectroscopy ; Photon upconversion ; Materials science ; Fluorescence ; Homogeneous ; Optics ; Analytical Chemistry (journal) ; Chemistry ; Laser ; Physics ; Chromatography ; Antibody Spectroscopy and Laser Applications ; Luminescence Properties of Advanced Materials ; Photochemistry and Electron Transfer Studies
Authors: Xinxin Ma | Lee M. Smith | Liping Cai | Sheldon Q. Shi | Hui Li | Baowei Fei
Source: BioResources (article, 2018-12-03)
Field: Materials Science — Materials Chemistry

Preparation of high-performance activated carbons using bamboo through one-step pyrolysis One-step pyrolysis is a promising thermal degradation process that has a fast reaction rate and high energy efficiency. In this study, high performance bamboo activated carbon was successfully prepared by one-step pyrolysis with different pyrolysis times (2.5 h, 5 h, and 10 h). Using a high pyrolysis temperature of 1050 °C, the specific surface area was remarkably increased to 2348 m2/g, which was substantially higher than the findings reported previously by other studies. The mesopore ratio was increased to 77.4%, which indicated that the bamboo activated carbon mainly contained microporous carbon and the mesoporosity was considerably developed. The activated carbon was then applied successfully to remove Methylene Blue from aqueous solutions. The adsorption equilibrium data was fit best to the Langmuir model. The maximum adsorption capacity ranged from 495 mg/g to 1667 mg/g. Pyrolysis ; Activated carbon ; Adsorption ; Microporous material ; Bamboo ; Materials science ; Methylene blue ; Carbon fibers ; Chemical engineering ; Langmuir adsorption model ; Aqueous solution ; Mesoporous material ; Specific surface area ; Bamboo charcoal ; Nuclear chemistry ; Organic chemistry ; Chemistry ; Composite material ; Catalysis ; Composite number ; Fiber Carbon Nanotubes in Composites ; Concrete and Cement Materials Research ; Supercapacitor Materials and Fabrication
Authors: Ge Zhou | Lijia Chen | Lirong Liu | Haijian Liu | Heli Peng | Yiping Zhong
Source: Materials (article, 2018-07-13)
Field: Materials Science — Materials Chemistry

Low-Temperature Superplasticity and Deformation Mechanism of Ti-6Al-4V Alloy The low-temperature superplastic tensile behavior and the deformation mechanisms of Ti-6Al-4V alloy are investigated in this paper. Through the experiments carried out, elongation to failure (δ) is calculated and a set of values are derived that subsequently includes the strain rate sensitivity exponent (m), deformation activation energy (Q) at low-temperature superplastic deformation, and the variation of δ, m and Q at different strain rates and temperatures. Microstructures are observed before and after superplastic deformation. The deformation mechanism maps incorporating the density of dislocations inside grains at temperatures of 973 and 1123 K are drawn respectively. By applying the elevated temperature deformation mechanism maps based on Burgers vector compensated grain size and modulus compensated stress, the dislocation quantities and low-temperature superplastic deformation mechanisms of Ti-6Al-4V alloy at different temperatures within appropriate processing regime are elucidated. Superplasticity ; Materials science ; Deformation mechanism ; Deformation (meteorology) ; Metallurgy ; Strain rate ; Burgers vector ; Alloy ; Ultimate tensile strength ; Dislocation ; Diffusion creep ; Composite material ; Titanium alloy ; Elongation ; Grain size ; Microstructure ; Grain boundary Titanium Alloys Microstructure and Properties ; Microstructure and mechanical properties ; Metallurgy and Material Forming
Authors: Maximilian Amsler | Vinay I. Hegde | Steven D. Jacobsen | Chris Wolverton
Source: Physical Review X (article, 2018-11-09)
Field: Materials Science — Materials Chemistry

Exploring the High-Pressure Materials Genome A new framework for predicting materials behavior at high pressure combines computational approximations with extant materials data to provide a tool for discovering new materials and their properties under nonambient conditions. Extant taxon ; Genome ; Genomics ; Computational model Machine Learning in Materials Science ; Inorganic Chemistry and Materials ; Crystallography and molecular interactions