jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Emile R. Engel | Vincenzo Calabrese | Kazi M. Zakir Hossain | Karen J. Edler | Janet L. Scott
Source: Advanced Sustainable Systems (article, 2020-09-30)
Field: Materials Science — Biomaterials

Composite Hydrogel Spheroids Based on Cellulose Nanofibrils and Nanofibrous Chiral Coordination Polymer by Green Synthesis Abstract Cellulose‐based hydrogels are promising sustainable materials for a variety of applications, including tissue engineering, water treatment, and drug delivery. However, the tailoring of diverse properties by efficient green chemistry methods is an ongoing challenge. Here, composite hydrogels of consistent spheroidal structure, incorporating TEMPO‐oxidized cellulose nanofibrils and nanofibrous chiral Cu(II) aspartate coordination polymer, are presented. The hydrogels are prepared by a single‐step procedure in aqueous media at ambient temperature and pressure, adhering to the principles of green chemistry. With a view to adapting this method for a variety of alternative coordination polymers (to tailor functional properties), the following critical factors for formation of robust composite hydrogel spheroids are identified: rheological properties of the primary matrix used for spheroidal hydrogel formation and coordination polymer self‐assembly rate. Self-healing hydrogels ; Cellulose ; Composite number ; Polymer ; Materials science ; Chemical engineering ; Rheology ; Green chemistry ; Aqueous solution ; Drug delivery ; Tissue engineering ; Nanotechnology ; Polymer chemistry ; Chemistry ; Composite material ; Organic chemistry ; Molecule ; Supramolecular chemistry ; Biomedical engineering Advanced Cellulose Research Studies ; biodegradable polymer synthesis and properties ; Hydrogels: synthesis, properties, applications
Authors: Risto Savela | Nataliya Shcherban | Marko Melander | Igor Bezverkhyy | Irina L. Simakova | Otto Långvik | Ekaterina Kholkina | Tamara Schindler | Annabelle Krauβ | Karoliina Honkala | Dmitry Yu. Murzin | Reko Leino
Source: Catalysis Science & Technology (article, 2020-12-10)
Field: Chemistry — Inorganic Chemistry

Chemoselective heterogeneous iridium catalyzed hydrogenation of cinnamalaniline A selective atmospheric hydrogenation of unsaturated imines over heterogeneous iridium catalyst is described, in addition the selectivity is elucidated by DFT-calculations. Iridium ; Catalysis ; Selectivity ; Chemistry ; Combinatorial chemistry ; Photochemistry ; Organic chemistry Asymmetric Hydrogenation and Catalysis ; Catalysis for Biomass Conversion ; Surface Chemistry and Catalysis
Authors: Mohamad S. AlSalhi | Mamduh J. Aljaafreh | Saradh Prasad
Source: Polymers (article, 2020-01-17)
Field: Materials Science — Materials Chemistry

Narrowband Spontaneous Emission Amplification from a Conjugated Oligomer Thin Film In this paper, we studied the laser and optical properties of conjugated oligomer (CO) 1,4-bis(9-ethyl-3-carbazo-vinylene)-9,9-dihexyl-fluorene (BECV-DHF) thin films, which were cast onto a quartz substrate using a spin coating technique. BECV-DHF was dissolved in chloroform at different concentrations to produce thin films with various thicknesses. The obtained results from the absorption spectrum revealed one sharp peak at 403 nm and two broads at 375 and 428 nm. The photoluminescence (PL) spectra were recorded for different thin films made from different concentrations of the oligomer solution. The threshold, laser-induced fluorescence (LIF), and amplified spontaneous emission (ASE) properties of the CO BECV-DHF thin films were studied in detail. The ASE spectrum was achieved at approximately 482.5 nm at a suitable concentration and sufficient pump energy. The time-resolved spectroscopy of the BECV-DHF films was demonstrated at different pump energies. Thin film ; Photoluminescence ; Materials science ; Oligomer ; Amplified spontaneous emission ; Conjugated system ; Fluorescence ; Fluorene ; Photochemistry ; Analytical Chemistry (journal) ; Absorption spectroscopy ; Spin coating ; Emission spectrum ; Substrate (aquarium) ; Laser ; Optoelectronics ; Spectral line ; Polymer ; Optics ; Polymer chemistry ; Organic chemistry ; Chemistry ; Nanotechnology ; Composite material Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Photochemistry and Electron Transfer Studies
Authors: P. Karthick raja | Shanmugam Revathi | Tapas Ghatak
Source: Engineered Science (article, 2020-01-01)
Field: Chemistry — Organic Chemistry

Recent Advances of Imidazolin-2-iminato in Transition Metal Chemistry A new class of monoanionic nitrogen donor ligands imidazolin-2-iminato (Im R N -) is produced from the reactivity of Nheterocyclic carbenes (NHCs) towards organic azides and is isolobally related to imido ligands (RN 2-). The imidazolin-2-iminato ligands essentially can be derived by substituting alkyl or aryl group from imido moieties. The proton abstraction from imidazolin-2-imine results in the monoanionic imidazolin-2-iminato ligands that possesses the exocyclic nitrogen, which strongly favors the binding with electrophiles. The nucleophilicity of anionic nitrogen is markedly increased by the charge (positive) delocalization into the five-membered heterocyclic ring. Altering the N-substitutions could meet the necessities for kinetic stabilization of high valent reactive species. These ligands have been slowly cemented the status as a potential alternative for ubiquitous cyclopentadienyl ligand and continued receiving attention. These ligands have progressively accustomed as the ancillary ligands for early transition metals, rare earth elements, or early actinides affording pincer complexes or "pogo stick" type compounds. In this article, the present chemistry of transition metal elements bearing imidazolin-2-iminato/imine ligands is reviewed from the year 2015 to date. Chemistry ; Electrophile ; Imine ; Transition metal ; Nucleophile ; Ligand (biochemistry) ; Aryl ; Medicinal chemistry ; Stereochemistry ; Combinatorial chemistry ; Alkyl ; Organic chemistry ; Catalysis N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Catalytic Cross-Coupling Reactions ; Synthetic Organic Chemistry Methods
Authors: María Chiara Spadaro | Lu Cao | W. Terry | Richard Balog | Feng Yin | Richard E. Palmer
Source: Journal of Nanoparticle Research (article, 2020-05-23)
Field: Materials Science — Materials Chemistry

Size control of Au nanoparticles from the scalable and solvent-free matrix assembly cluster source Abstract Nanostructured gold is an intriguing system for heterogeneous catalysis at low temperature. Its activity is related to choice of support selection, particle-support interaction, and especially the particle size. Here, we investigate the possibility of controlling the size of Au clusters (nanoparticles) in the novel Matrix Assembly Cluster Source (MACS), a solvent-free nanoparticle source with potential for scale-up to the gram level. The novelty of the MACS is the idea of making clusters by sputtering a pre-condensed matrix of metal atoms embedded in a condensed non-reactive gas, e.g., Ar. This concept, introduced in 2016, has already proved deposition rates several orders of magnitude higher than conventional cluster beam routes. Such scale-up in the cluster production rate is crucial for industrial research on nanocatalysis under realistic reaction condition. Here, we report a systematic study of how Au metal loading in the matrix affects the size distribution of clusters generated. Furthermore, the obtained dependence of cluster size on deposition time provides clear confirmation of cluster formation inside the matrix by ion irradiation, rather than by aggregation of atoms on the TEM support after deposition. Cluster (spacecraft) ; Materials science ; Nanoparticle ; Deposition (geology) ; Matrix (chemical analysis) ; Chemical physics ; Nanotechnology ; Particle size ; Particle (ecology) ; Nanoscopic scale ; Sputtering ; Chemical engineering ; Thin film ; Physics ; Computer science ; Composite material Catalytic Processes in Materials Science ; nanoparticles nucleation surface interactions ; Nanocluster Synthesis and Applications
Authors: Evgenii V. Beletskii | Daniil A. Lukyanov | Petr S. Vlasov | Andrei N. Yankin | Arslan B. Atangulov | Vladimir V. Sizov | Oleg V. Levin
Source: Energies (article, 2020-05-14)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Nickel Salicylaldoxime-Based Coordination Polymer as a Cathode for Lithium-Ion Batteries Conjugated coordination polymers attract attention as materials for electrochemical energy storage, mostly as cathode materials for supercapacitors. Faradaic capacity may be introduced to such materials using redox-active building blocks, metals, or ligands. Using this strategy, a novel hybrid cathode material was developed based on a Ni2+ metal-organic polymer. The proposed material, in addition to double-layer capacitance, shows high pseudocapacitance, which arises from the contributions of both the metal center and ligand. A tailoring strategy in the ligand design allows us to minimize the molecular weight of the ligand, which increases its gravimetric energy. According to computational results, the ligand makes the prevailing contribution to the pseudocapacitance of the material. Different approaches to metal–organic polymer (MOP) synthesis were implemented, and the obtained materials were examined by FTIR, Raman spectroscopy, powder XRD, SEM/EDX (energy-dispersive X-ray spectroscopy), TEM, and thermal analysis. Energy-storage performance was comparatively studied with cyclic voltammetry (CV) and galvanostatic charge–discharge (GCD). As a result, materials with an excellent discharge capacity were obtained, reaching the gravimetric energy density of common inorganic cathode materials. Pseudocapacitance ; Gravimetric analysis ; Supercapacitor ; Materials science ; Cyclic voltammetry ; Cathode ; Chemical engineering ; Polymer ; Inorganic chemistry ; Electrochemistry ; Chemistry ; Composite material ; Organic chemistry ; Physical chemistry ; Electrode Supercapacitor Materials and Fabrication ; Advancements in Battery Materials ; Advanced battery technologies research
Authors: Ming-Guang Rong | Junting Wang | Kam‐Hung Low | Junzhi Liu
Source: Organic Materials (article, 2020-10-01)
Field: Materials Science — Materials Chemistry

Phenyl-Linked Anthracene-Based Macrocycles with Geometrically Tunable Optical Properties Anthracene has been widely explored because of its intrinsic photophysical and photochemical properties. Here, two novel anthracene-based macrocycles (1 and 2) were designed and synthesized with para- and meta-phenylene spacers. X-ray crystallographic analysis demonstrates that compound 1 with para-phenylene spacers adopts a nearly planar structure, while compound 2 with meta-phenylene spacers displays a V-shaped geometry. The photophysical properties of the resultant macrocycles, which are structural isomers, are well studied using photoluminescence spectra and time-resolved absorption spectra, which are further corroborated by density functional theory calculations. The optical properties of these two novel macrocycles can be finely tuned via their geometries. Anthracene ; Phenylene ; Photoluminescence ; Density functional theory ; Materials science ; Planar ; Absorption (acoustics) ; Crystallography ; Absorption spectroscopy ; Spectral line ; Photochemistry ; Chemistry ; Computational chemistry ; Optoelectronics ; Polymer ; Optics ; Physics ; Computer science Luminescence and Fluorescent Materials ; Synthesis and Properties of Aromatic Compounds ; Organoboron and organosilicon chemistry
Authors: akram Humoodi Abdulwahab | Baroz Aziz | Dana Khidhir
Source: UKH Journal of Science and Engineering (article, 2020-06-30)
Field: Chemistry — Analytical Chemistry

A Study of Asphaltene Precipitation Problem in some wells in Kurdistan Region Throughout the production and reservoir lifecycle, the asphaltene precipitation is an ever existing problem through changing the porosity, permeability and wettability leading to decline in production. The conditions that govern Asphaltene precipitation varies from well to well and from reservoir conditions of high pressure and temperature to surface conditions and need to be studied case by case. The modeling and predicting the phase behavior and precipitation of Asphaltene is paramount for wells in Kurdistan region as it is developing its oil and gas industry. Crude oil samples from three wells in Kurdistan Region-Iraq were selected for this study. Experimental data such as crude oil composition using Gas Chromatography, PVT analysis and reservoir pressure and temperature were used as input data into Computer Modeling Group CMG simulator and a model of Asphaltene phase behavior was suggested. The model suggests that the maximum precipitation occurs near the bubble point pressure at reservoir conditions. This is validated and compared with results in literature indicating similar behavior of crude oil. To predict the Asphaltene precipitation at surface condition a modified Colloidal Instability Index CII were used and the results were validated by De Bore plot Asphaltene ; Bubble point ; Precipitation ; Petroleum engineering ; Wetting ; Porosity ; Permeability (electromagnetism) ; Crude oil ; Bubble ; Environmental science ; Geology ; Materials science ; Chemistry ; Geotechnical engineering ; Mechanics ; Meteorology ; Composite material Petroleum Processing and Analysis ; Hydrocarbon exploration and reservoir analysis ; Enhanced Oil Recovery Techniques
Authors: Peiyang Gu | Yufeng Jiang | Zachary Fink | Ganhua Xie | Qin Hu | Paul Y. Kim | Qingfeng Xu | Jianmei Lu | Thomas P. Russell
Source: ACS Applied Materials & Interfaces (article, 2020-11-17)
Field: Materials Science — Materials Chemistry

Conductive Thin Films over Large Areas by Supramolecular Self-Assembly We report a "one-step" method for preparing conductive thin films with cylindrical microdomains oriented normal to the surface over large areas using the supramolecular assembly of poly(styrene-<i>block</i>-4-vinylpyridine) (PS<sub>19</sub>-<i>b</i>-P4VP<sub>5</sub>) and 5,10,15,20-tetrakis(4-hydroxyphenyl)-21<i>H</i>,23<i>H</i>-porphine (HOTPP). HOTPP interacts with the P4VP block by hydrogen bonding between the hydroxyl group of HOTPP and pyridine ring of PS<sub>19</sub>-<i>b</i>-P4VP<sub>5</sub>, forming cylindrical P4VP(HOTPP) domains having an average diameter of ∼17 nm in a PS matrix. Dynamic light scattering, contact angle, and <i>in situ</i> grazing incidence small-angle X-ray scattering measurements show a morphological transition from spherical micelles in solution to cylindrical microdomains oriented normal to the substrate surface during the drying process. From the dependence of current on voltage, an average current of ∼4.0 nA is found to pass through a single microdomain, pointing to a promising route for organic semiconductor device applications. Materials science ; Supramolecular chemistry ; Electrical conductor ; Scattering ; Substrate (aquarium) ; Self-assembly ; Grazing-incidence small-angle scattering ; Thin film ; Micelle ; Organic semiconductor ; Copolymer ; Composite material ; Optoelectronics ; Nanotechnology ; Chemical engineering ; Optics ; Crystallography ; Polymer ; Small-angle neutron scattering ; Organic chemistry ; Neutron scattering Block Copolymer Self-Assembly ; Advanced Polymer Synthesis and Characterization ; Surface Chemistry and Catalysis
Authors: Lorenzo Cocola | G. Tondello | Luca Poletto
Source: SN Applied Sciences (article, 2020-04-15)
Field: Chemistry — Spectroscopy

A non-dispersive approach for a Raman gas sensor Raman spectroscopy ; Materials science ; Environmental science ; Analytical Chemistry (journal) ; Physics ; Optics ; Environmental chemistry ; Chemistry Spectroscopy and Laser Applications ; Spectroscopy Techniques in Biomedical and Chemical Research ; Analytical Chemistry and Sensors
Authors: Sarah A. Peck Justice | Neil A. McCracken | José Victorino | Aruna Wijeratne | Amber L. Mosley
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2020-12-31)
Field: Chemistry — Spectroscopy

Boosting detection of low abundance proteins in thermal proteome profiling experiments by addition of an isobaric trigger channel to TMT multiplexes ABSTRACT The study of low abundance proteins is a challenge to discovery-based proteomics. Mass-spectrometry (MS) applications, such as thermal proteome profiling (TPP) face specific challenges in detection of the whole proteome as a consequence of the use of nondenaturing extraction buffers. TPP is a powerful method for the study of protein thermal stability, but quantitative accuracy is highly dependent on consistent detection. Therefore, TPP can be limited in its amenability to study low abundance proteins that tend to have stochastic or poor detection by MS. To address this challenge, we incorporated an affinity purified protein complex sample at submolar concentrations as an isobaric trigger channel into a mutant TPP (mTPP) workflow to provide reproducible detection and quantitation of the low abundance subunits of the Cleavage and Polyadenylation Factor (CPF) complex. The inclusion of an isobaric protein complex trigger channel increased detection an average of 40x for previously detected subunits and facilitated detection of CPF subunits that were previously below the limit of detection. Importantly, these gains in CPF detection did not cause large changes in melt temperature (T m ) calculations for other unrelated proteins in the samples, with a high positive correlation between T m estimates in samples with and without isobaric trigger channel addition. Overall, the incorporation of affinity purified protein complex as an isobaric trigger channel within a TMT multiplex for mTPP experiments is an effective and reproducible way to gather thermal profiling data on proteins that are not readily detected using the original TPP or mTPP protocols. Isobaric process ; Proteome ; Isobaric labeling ; Chemistry ; Chromatography ; Quantitative proteomics ; Proteomics ; Multiplex ; Detection limit ; Mass spectrometry ; Computational biology ; Analytical Chemistry (journal) ; Biochemistry ; Biology ; Bioinformatics ; Physics Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Protein purification and stability
Authors: Roman Boča
Source: Nova Biotechnologica et Chimica (article, 2020-12-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Thermodynamics and cooperativeness of the spin crossover Spin transition – a passage from the low-spin electronic state to the high-spin one of Fe(III) and Fe(II) complexes is assessed from several points of view: theoretical modelling, magnetic susceptibility data, and calorimetric measurements. The concept of the cooperativeness in the solid state is discussed in detail. Thermodynamic parameters are mutually correlated for a set of analogous Fe(III) complexes by using modern statistical methods.&#x0D; Cooperativeness ; Chemistry ; Spin crossover ; Condensed matter physics ; Spin (aerodynamics) ; Thermodynamics ; State (computer science) ; Magnetic susceptibility ; Statistical physics ; Physics ; Psychology ; Crystallography ; Mathematics ; Social psychology Magnetism in coordination complexes
Authors: Kathrin Brömmel | Sarah Maskri | Iván Maisuls | Christian Paul Konken | Marius Rieke | Zoltán Pethő | Cristian A. Strassert | Oliver Koch | Albrecht Schwab | Bernhard Wünsch
Source: Angewandte Chemie (article, 2020-02-25)
Field: Materials Science — Materials Chemistry

Synthesis of Small‐Molecule Fluorescent Probes for the In Vitro Imaging of Calcium‐Activated Potassium Channel K<sub>Ca</sub>3.1 Abstract Small‐molecule probes for the in vitro imaging of K Ca 3.1 channel‐expressing cells were developed. Senicapoc, showing high affinity and selectivity for the K Ca 3.1 channels, was chosen as the targeting component. BODIPY dyes 15 – 20 were synthesized and connected by a Cu I ‐catalyzed azide–alkyne [3+2]cycloaddition with propargyl ether senicapoc derivative 8 , yielding fluorescently labeled ligands 21 – 26 . The dimethylpyrrole‐based imaging probes 25 and 26 allow staining of K Ca 3.1 channels in NSCLC cells. The specificity was shown by removing the punctate staining pattern by pre‐incubation with senicapoc. The density of K Ca 3.1 channels detected with 25 and by immunostaining was identical. The punctate structure of the labeled channels could also be observed in living cells. Molecular modeling showed binding of the senicapoc‐targeting component towards the binding site within the ion channel and orientation of the linker with the dye along the inner surface of the ion channel. Chemistry ; Fluorescence ; In vitro ; Linker ; Biophysics ; Small molecule ; Immunostaining ; Staining ; Biochemistry ; Immunohistochemistry Luminescence and Fluorescent Materials ; Advanced biosensing and bioanalysis techniques ; Nicotinic Acetylcholine Receptors Study
Authors: Lingyao Meng | Hongyou Fan | J. Matthew D. Lane | Luke Baca | Jackie Tafoya | Tommy Ao | Brian Stoltzfus | Marcus D. Knudson | Dane Morgan | Kevin Austin | Changyong Park | Yang Qin
Source: MRS Advances (article, 2020-04-13)
Field: Materials Science — Materials Chemistry

X-Ray Diffraction and Electron Microscopy Studies of the Size Effects on Pressure-Induced Phase Transitions in CdS Nanocrystals Materials science ; Wurtzite crystal structure ; Nanoparticle ; Nanomaterials ; Phase transition ; Nanorod ; Nanotechnology ; Particle size ; Phase (matter) ; Bulk modulus ; Hydrostatic pressure ; Nanocrystal ; Chemical physics ; Chemical engineering ; Condensed matter physics ; Composite material ; Thermodynamics Quantum Dots Synthesis And Properties ; Chalcogenide Semiconductor Thin Films ; Optical properties and cooling technologies in crystalline materials
Authors: Deniz A. Bölükbas | Stefan Datz | Charlotte Meyer‐Schwickerath | Carmela Morrone | Ali Doryab | Dorothée Gößl | Malamati Vreka | Lin Yang | Christian Argyo | Sabine van Rijt | Michael Lindner | Oliver Eickelberg | Tobias Stoeger | Otmar Schmid | Sandra Lindstedt | Georgios T. Stathopoulos | Thomas Bein | Darcy E. Wagner | Silke Meiners
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2020-03-06)
Field: Materials Science — Biomaterials

Organ-restricted vascular delivery of nanoparticles for lung cancer therapy Abstract Nanomedicines hold immense promise for a number of devastating diseases due to the ability to custom-design both the carrier and cargo. However, their clinical implementation has been hampered by physicochemical and biological barriers and off-target deposition which impair cell specific targeting, especially in internal organs. This study reports a new delivery approach using organ-restricted vascular delivery to allow for direct administration and recirculation of stimuli-responsive nanoparticles to promote cellular uptake into an organ of interest. Using this technique, nanoparticles reach the interior of dense tumors and are selectively taken up by lung cancer cells. Importantly, this surgical approach is essential as the same nanoparticles do not reach lung tumor cells upon systemic or intratracheal administration. Organ-restricted vascular delivery thus opens up new avenues for optimized nanotherapies for cancer and other diseases. Lung cancer ; Cancer ; Medicine ; Lung ; Cancer research ; Systemic administration ; Nanotechnology ; Pathology ; Biology ; Materials science ; Internal medicine Nanoparticle-Based Drug Delivery ; RNA Interference and Gene Delivery ; Nanoplatforms for cancer theranostics