jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Li‐Na Wu | S. Yang | Jin-Ke Shen | Feihu Liu
Source: Physica E Low-dimensional Systems and Nanostructures (article, 2023-03-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Superconductivity and charge density wave in transition metal chalcogenides: A first principle study Condensed matter physics ; Superconductivity ; Charge density wave ; Fermi surface ; Instability ; Phase (matter) ; Phase transition ; Physics ; Materials science ; Quantum mechanics Iron-based superconductors research ; Organic and Molecular Conductors Research ; Inorganic Chemistry and Materials
Authors: Michael Hardt | Christian Honnigfort | Javier Carrascosa-Tejedor | Marius Braun | Samuel Winnall | Dana Glikman | Philipp Gutfreund | Richard A. Campbell | Björn Braunschweig
Source: ChemRxiv (preprint, 2023-09-14)
Field: Chemistry — Organic Chemistry

Photoresponsive Arylazopyrazole Surfactant/PDADMAC Mixtures: Reversible Control of Bulk and Interfacial Properties In many applications of polyelectrolyte/surfactant (P/S) mixtures, mostly their static properties are exploited, because it is difficult to fine-tune them after mixing the components without changing the sample composition, e.g. pH or the ionic strength. Here we report on a new approach where we use photoswitchable surfactants to enable drastic changes in both the bulk and interfacial properties. Poly(diallyldimethylammonium chloride) (PDADMAC) mixtures with three alkyl-arylazopyrazole butyl sulfonates (CnAAP) with -H, -butyl and -octyl tails are applied and E/Z photoisomerization of the surfactants is used to cause substantially different hydrophobic interactions between the surfactants and PDADMAC. This affects significantly the P/S binding and allows for tuning both the bulk and interfacial properties of PDADMAC/CnAAP mixtures through light irradiation. For that, we have fixed the surfactant concentrations at values where they exhibit pronounced surface tension changes upon E/Z photoisomerization with 365 nm UV light (Z) and 520 nm green (E) light and have varied the PDADMAC concentration. The electrophoretic mobility can be largely tuned by photoisomerisation of CnAAP surfactants and P/S aggregates, which can even exhibit a charge reversal from negative to positive values or vice versa. In addition, low colloidal stability at equimolar concentrations of PDADMAC with AAP surfactants in the E configuration leads to large aggregates that form in the bulk, but can be redissolved by irradiation with UV light when the surfactant‘s alkyl chain is short enough (C0AAP). Vibrational sum-frequency generation (SFG) spectroscopy reveals changes at the interface similar to the bulk, where the charging state at air-water interfaces can be modified with light irradiation. Using SFG spectroscopy, we interrogated the O-H stretching modes of interfacial water molecules and provide qualitative information on surface charging that is complemented by neutron reflectometry, from which we resolved the surface excess of PDADMAC and CnAAP at the air-water interface, independently. Photoisomerization ; Pulmonary surfactant ; Surface tension ; Alkyl ; Chemistry ; Colloid ; Dynamic light scattering ; Polyelectrolyte ; Chemical engineering ; Ionic strength ; Irradiation ; Chemical physics ; Aqueous solution ; Organic chemistry ; Nanoparticle ; Catalysis ; Thermodynamics ; Isomerization ; Polymer Surfactants and Colloidal Systems ; Spectroscopy and Quantum Chemical Studies ; Electrowetting and Microfluidic Technologies
Authors: İsmail Bayraklı | Hatice Akman | Filiz Sarı
Source: Applied Optics (article, 2023-08-15)
Field: Chemistry — Spectroscopy

Sensor using a photo-acoustic absorption cell with two perpendicular acoustic resonators to analyze multiple molecules An ultra-high sensitivity multi-molecule sensor based on a photo-acoustic cell with two perpendicular acoustic resonators and a common microphone has been reported. In this work, a 4.5 µm distributed-feedback quantum cascade laser and a 1.5 µm external cavity diode laser (EC-DL) were used as optical excitation sources. Considering the spectral ranges of the lasers used, it is possible to analyze eight molecules (<i>Q</i> <i>C</i> <i>L</i>:<i>N</i> <sub>2</sub> <i>O</i> and <i>C</i> <i>O</i> <sub>2</sub>, EC-DL: <i>H</i> <sub>2</sub> <i>O</i>, <i>H</i> <sub>2</sub> <i>S</i>, <i>N</i> <i>H</i> <sub>3</sub>, CO, <i>C</i> <i>H</i> <sub>4</sub>, and <i>C</i> <sub>2</sub> <i>H</i> <sub>2</sub>). The <i>N</i> <sub>2</sub> <i>O</i> molecule was used to evaluate the performance of the photo-acoustic spectroscopy (PAS)-based sensor. A sensitivity of 0.073 V/ppm and a linearity of 0.99 were found by analyzing the PAS signal as a function of <i>N</i> <sub>2</sub> <i>O</i> concentration at 2237.656<i>c</i> <i>m</i> <sup>-1</sup>. The long-term performance of the sensor was determined by performing an Allan deviation analysis. A minimum detection limit of 9.8 ppb for 90 s integration time was achieved. The simultaneous multi-trace gas detection capability was verified by measurement of <i>N</i> <sub>2</sub> <i>O</i>, <i>C</i> <i>O</i> <sub>2</sub>, and <i>H</i> <sub>2</sub> <i>O</i>. Depending on the coarse/fine-tuning ranges of the lasers used, the number of molecules analyzed can be further increased. Such a sensor could provide simultaneous diagnosis of many diseases through an analysis of breath air and simultaneous monitoring of the most important greenhouse gases. Laser ; Materials science ; Microphone ; Quantum cascade laser ; Resonator ; Sensitivity (control systems) ; Optics ; Spectroscopy ; Raman spectroscopy ; Trace gas ; Perpendicular ; Optoelectronics ; Acoustics ; Chemistry ; Physics Spectroscopy and Laser Applications ; Atmospheric Ozone and Climate ; Advanced Chemical Sensor Technologies
Authors: Nebal Alassad | Ravindra S. Phatake | Mark Baranov | Ofer Reany | N. Gabriel Lemcoff
Source: Catalysts (article, 2023-11-02)
Field: Chemistry — Organic Chemistry

Tuning the Latency by Anionic Ligand Exchange in Ruthenium Benzylidene Phosphite Complexes Recently discovered cis-dichloro benzylidene phosphite complexes are latent catalysts at room temperature and exhibit exceptional thermal and photochemical activation behavior in olefin metathesis reactions. Most importantly, the study of these catalysts has allowed their introduction in efficient 3-D printing applications of ring-opening metathesis derived polymers and the control of chromatically orthogonal chemical processes. Moreover, their combination with plasmonic Au-nanoparticles has given rise to novel smart materials that are responsive to light. Given the importance of the ligand shell in the initiation and reactivity behavior of this family of complexes, we set out to investigate the effect of anionic ligand exchange. Thus, we report herein two new ruthenium benzylidene benzylphosphite complexes where the chloride anionic ligands have been replaced by bromide and iodide anions (cis-Ru-Phos-Br2 &amp; cis-Ru-Phos-I2). The thermal and photochemical activations of these dormant catalysts in a variety of ring-closing and ring-opening metathesis polymerization (RCM and ROMP) reactions were thoroughly studied and compared with the previously known chloride precatalyst. Photochemical RCM studies provided similar results, especially in non-hindered reactions, with the UV-A wavelength being the best in all cases. On the other hand, the thermal activation profile exposed that the anionic ligand significantly affects reactivity. Notably, cis-Ru-Phos-I2 disclosed particularly impressive initiation efficiency compared to the other members of the family. Ruthenium ; ROMP ; Chemistry ; Iodide ; Metathesis ; Ligand (biochemistry) ; Reactivity (psychology) ; Salt metathesis reaction ; Photochemistry ; Bromide ; Polymer chemistry ; Catalysis ; Polymerization ; Organic chemistry ; Polymer Synthetic Organic Chemistry Methods ; Catalytic Alkyne Reactions ; Chemical Synthesis and Analysis
Authors: Kristi Priya Choudhury | Newton Neogi | Tahzib Ibrahim Protik | Md. Golam Sazid
Source: Proceedings of International Exchange and Innovation Conference on Engineering & Sciences (IEICES) (article, 2023-10-19)
Field: Chemistry — Inorganic Chemistry

A Mini Overview of Post Synthetic Modification of Synthesized Zeolitic Imidazolate Frameworks The inorganic metal node and organic linker may be chemically transformed to optimize metal organic frameworks (MOFs) for various uses. The term zeolitic imidazolate framework (ZIF) refers to MOFs that are topologically isomorphic with zeolites. These can be synthesized in several ways such as hydrothermal, sol gel, solvothermal etc. After the fabrication these can be modified with post synthetic modification (PSM) processes. The idea for PSM was developed in this century. PSM is a procedure that may be used to modify MOFs while still preserving the structural integrity of the framework. PSM makes it possible to functionalize both the metallic and organic components of MOFs. PSM acts as a technique for phase separation, increasing catalytic activity, increased surface area for surface reactions, and improvement of other properties. The purpose of this article is to give a mini overview of the various PSM approaches used for ZIF modification. Zeolitic imidazolate framework ; Imidazolate ; Surface modification ; Materials science ; Nanotechnology ; Metal-organic framework ; Chemistry ; Chemical engineering ; Engineering ; Organic chemistry ; Adsorption Zeolite Catalysis and Synthesis ; Inorganic and Organometallic Chemistry
Authors: Wanhe Jiang | Georg H. Mehl
Source: Preprints.org (preprint, 2023-10-27)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Design and Investigation of a Side-Chain Liquid Crystalline Polysiloxane with a N&lt;sub&gt;tb&lt;/sub&gt; Forming Side Chain A new mesogenic non-symmetric dimeric monomer with a terminal olefin function, forming a twist bend nematic (Ntb) as well as a nematic (N) phase was synthesized, using an enhanced synthetic methodology, which avoids isomerization of the terminal double bond in the preparation of the dimer. This monomer was attached to a pentamethyldisiloxane group, resulting in SmA LC phase behaviour of the ensuing material. Linking the monomer to a siloxane main chain resulted in nematic phase behaviour. Detailed studies with the Ntb phase forming dimer DTC5C7 show full miscibility of the dimer and the new LC polymer in the LC state, suggesting that the side-chain LC polymer forms a Ntb phase as the low temperature nematic phase. Copolymerizing the monomer with a cyanobiphenyl based monomer allows to tune the glass transition and phase behavior further. Mesogen ; Monomer ; Liquid crystal ; Side chain ; Dimer ; Phase (matter) ; Siloxane ; Materials science ; Polymer ; Miscibility ; Polymer chemistry ; Oligomer ; Crystallography ; Chemistry ; Organic chemistry ; Liquid crystalline ; Composite material Liquid Crystal Research Advancements ; Surfactants and Colloidal Systems ; Advanced Materials and Mechanics
Authors: Md. Khairul Amin | Chunchun Ye | Shuhua Pang | Yuancheng Liu | Gary S. Nichol | Neil B. McKeown
Source: ChemRxiv (preprint, 2023-08-30)
Field: Chemistry — Organic Chemistry

Rapid access to triptycene-like naphthopleiadenes for use in supramolecular and materials chemistry Triptycene derivatives are used extensively in supramolecular and materials chemistry, however, most are prepared using a multi-step synthesis that involves the generation of a benzyne intermediate, which hinders scale-up. Inspired by the ease of resorcinarene synthesis, we report the rapid and efficient preparation of triptycene-like 1,6,2’,7’-tetrahydroxynaphthopleiadene directly from 2,7-dihydroxynaphthalene and phthalaldehyde. Structural characterisation confirms the novel bridged bicyclic framework, within which the planes of the single benzene ring and two naphthalene units are fixed at an angle of ~120° relative to each other. Several simple variations of aromatic 1,2-dialdehydes and 2,7-disubstituted naphthalenes also provided triptycene-like products. The low cost of the precursors and undemanding reaction conditions allows for rapid multigram synthesis of 1,6,2’,7’-tetrahydroxynaphthopleiadene with product isolation by simple filtration. The potential for its use in supramolecular and polymer chemistry was demonstrated by the preparation of a very rigid novel cavitand, a microporous network polymer, and a solution-processable polymer of Intrinsic microporosity. Triptycene ; Supramolecular chemistry ; Resorcinarene ; Microporous material ; Chemistry ; Aryne ; Combinatorial chemistry ; Resorcinol ; Polymer chemistry ; Organic chemistry ; Nanotechnology ; Materials science ; Crystal structure ; Molecule Supramolecular Chemistry and Complexes ; Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications
Source: Angewandte Chemie International Edition (article, 2023-03-20)
Field: Chemistry — Organic Chemistry

Graphical Abstract: Angew. Chem. Int. Ed. 14/2023 Angewandte Chemie International Edition is aj ournalo ft he Gesellschaft Deutscher Chemiker (GDCh), the largest chemistryrelated scientific society in continental Europe.Information on the various activities and services of the GDCh, for example, cheaper subscription to Angewandte Chemie International Edition,aswell as applications for membership can be found at www.gdch.deor can be requested from GDCh, Postfach 900440, D-60444 Frankfurt am Main, Germany.…of[3]catenane was induced by fitting the puzzle pieces.Intheir Research Article (202217002), JunT erao et al. report am ethod for ligand-controlled structural switching of [3]catenane,w hich was realized by the complexation of metal ions on [3]catenane with added complementarily fitted organic ligands,like pieces in a jigsaw puzzle.T he high tailorability of organic ligands offers multiple pieces with various sizes and numbers of coordination sites,enabling multistate structural switching of [3]catenane.Carboranes B9-functionalized carboranylphosphines with bulky electron-donating substituents display an extremely electron-releasing character,asr eported by Evamarie Hey-Hawkins et al. in their Research Article (e202218648).Thec ompounds exert ahigh steric demand, which allows the mesityl derivatives to form stabilized phosphoniumyl radical cations.Batteries In their Research Article (e202218745), Haiyan Zhang, Chunyi Zhi, Haiming Lv et al. report acovalent organic framework anode for aqueous batteries with acid-alkaline co-tolerance,long cycle life,and high rate performance.Enzyme Catalysis An enzymatic electrocatalytic system for the simultaneous conversion of CO 2 and NH 3 for glycine synthesis is reported by Zhiguang Zhu et al. in their Research Article (e202218387). Citation ; Computer science ; INT ; Chemistry ; Library science ; Information retrieval ; Programming language Catalytic C–H Functionalization Methods ; Radical Photochemical Reactions ; Sulfur-Based Synthesis Techniques
Authors: Michael J. Spicuzza | Shweta Gaikwad | S. HUSS | Annemarie L. Lee | Cristina V. Craescu | Anna Griggs | Joshmi Joseph | Mark Puthenpurayil | Wilson Lin | Christopher J. Matarazzo | S. Prentiss Baldwin | Victoria Perez | Diego Rodríguez | John R. Swierk | Elizabeth Elacqua
Source: ChemRxiv (preprint, 2023-09-14)
Field: Materials Science — Materials Chemistry

Visible-Light-Mediated Diels-Alder Reactions Under Single-Chain Polymer Confinement: Investigating the Role of the Crosslinking Moiety on Catalyst Activity Macromolecular scaffolds are rapidly emerging in catalysis owing to the ability to control catalyst placement at precise locations in the framework. This often allows for cooperation in multi-catalytic reactions that may not be observed using small molecules, enabling high levels of reactivity. Herein, we describe a triphenylpyrylium (TPT)-based visible-light active single-chain polymer nanoparticle (SCNP) scaffold that facilitates the radical cation [4+2]-cycloaddition. In our studies, we find that the catalytic activity is highly dependent on the identity of the crosslinking group – incorporated in 5-10% overall – owing to its ability to act as a redox mediator in the Diels-Alder reaction. Mechanistic studies indicate that the vast majority of the TPT excited states are quenched by the acene, with the resultant radical cation formed from either naphthalene- or phenanthrene-based SCNPs able to proceed in oxidizing the dienophile in the elementary step of the reaction, leading to near quantitative yields of the cycloadduct. The TPT-SCNP demonstrates enhanced reactivity with low catalyst loadings when compared to small molecule TPT, and is also able to be recycled and reused in three iterations of the reaction prior to substantial drops in yield observed from photobleaching. Our results overall suggest that SCNPs feature multiple subtle design elements that can use as catalysts in diffusion-limited reactions. Catalysis ; Reactivity (psychology) ; Chemistry ; Moiety ; Cycloaddition ; Photochemistry ; Naphthalene ; Oxidizing agent ; Combinatorial chemistry ; Organic chemistry Photochromic and Fluorescence Chemistry ; Organic Chemistry Cycloaddition Reactions ; Chemistry and Chemical Engineering
Authors: Mirna Mandarić | Edi Topić | Dominique Agustin | Jana Pisk | Višnja Vrdoljak
Source: Preprints.org (preprint, 2023-12-25)
Field: Materials Science — Materials Chemistry

Preparative and Catalytic Properties of MoVI Mononuclear and Metallosupramolecular Coordination Assemblies Bearing Hydrazonato Ligands A series of polynuclear, dinuclear, and mononuclear Mo(VI) complexes were synthesized with the hydrazonato ligands derived from 5-methoxysalicylaldehyde and the corresponding hydrazides (isonicotinic hydrazide (H2L1), nicotinic hydrazide (H2L2), 2-aminobenzhydrazide (H2L3) or 4-aminobenzhydrazide (H2L4)). The metallosupramolecular compounds obtained from non-coordinating solvents, [MoO2(L1,2)]n (1 and 2) and [MoO2(L3,4)]2 (3 and 4), formed infinite structures and metallacycles, respectively. By blocking two coordination sites with cis-dioxo ligands, the molybdenum centers have three coordination sites occupied by the ONO donor atoms from the rigid hydrazone ligands and one by N atom of pyridyl or amine-functionalized ligand subcomponents from the neighbouring Mo building units. The reaction in methanol afforded the mononuclear analogues [MoO2(L1-4)(MeOH)] (1a-4a) with additional monodentate MeOH ligand. All isolated complexes were tested as catalysts for cyclooctene epoxidation using tBuOOH (TBHP) as an oxidant in water. The impact of the structure and ligand lability on the catalytic efficiency in homogeneous cyclooctene epoxidation was elucidated through theoretical considerations. Thus, dinuclear assemblies exhibited better catalytic activity than mononuclear or polynuclear complexes. Chemistry ; Hydrazide ; Denticity ; Ligand (biochemistry) ; Catalysis ; Medicinal chemistry ; Cyclooctene ; Stereochemistry ; Molybdenum ; Hydroamination ; Polymer chemistry ; Combinatorial chemistry ; Organic chemistry ; Crystal structure ; Receptor ; Biochemistry Polyoxometalates: Synthesis and Applications ; Metal complexes synthesis and properties ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Maria Ulfa | Windi Apriliani
Source: Indonesian Journal of Chemistry (article, 2023-04-10)
Field: Materials Science — Biomaterials

Comparative Study of Soft Template on Gunningite Synthesis for Ibuprofen Adsorption Application This study aimed to investigate the effect of soft template variations on Zinc Sulfate Hydrate (Gunningite) synthesis and the maximum adsorption capacity of ibuprofen. This study employed the soft template method and hydrothermal at 100 °C, followed by calcination at 550 °C. Here, ZnSO4 heptahydrate was used as the precursor for different templates. XRD analysis exhibited that the crystal sizes of Gunningite-F127G, Gunningite-F127, Gunningite-P123G, Gunningite-P123, and Gunningite-G were 18.35; 25.33; 25.67; 27.30; and 24.24 nm with crystallinity degrees of 36.89; 42.62; 46.83; 41.27; and 40.62%, respectively. FTIR examination indicated that the five samples contained functional groups of OH stretching at 3170 cm–1, Zn-O-Zn at 1637 cm–1, Zn-S=O symmetric and asymmetric at 900 and 1056 cm–1, and Zn-O at 521 cm–1. Furthermore, SEM-EDX investigation revealed that the morphology of all Gunningite samples was inhomogeneous due to agglomeration. Besides that, the elemental compositions in the samples were dominated by Zn and O elements. The maximum adsorption capacity obtained from each sample was 221.1 mg/g (Gunningite-F127G); 226.06 mg/g (Gunningite-F127); 234.23 mg/g (Gunningite-P123G); 229.76 mg/g (Gunningite-P123); and 222.85 mg/g (Gunningite-G). Moreover, the Gunningite kinetic model of ibuprofen adsorption followed Ho and McKay's pseudo-second-order kinetic model. Chemistry ; Adsorption ; Crystallinity ; Calcination ; Nuclear chemistry ; Fourier transform infrared spectroscopy ; Zinc ; Hydrate ; Ibuprofen ; Crystallography ; Catalysis ; Chemical engineering ; Organic chemistry Calcium Carbonate Crystallization and Inhibition ; Methane Hydrates and Related Phenomena ; Drilling and Well Engineering
Authors: Tran Gia Bao Nguyen | Nu Quynh Trang Ton | The Phuong Pham | Thi Hanh Thu Vu
Source: Science and Technology Development Journal (article, 2023-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Toward Plasmon-Controlled Generation of the Activating Ag Hotspot Nanospheres for Quantitative SERS Analysis Introduction: Surface-enhanced Raman scattering (SERS) has attracted enormous concern as a robust vibrational spectroscopy technique with widespread applications, primarily for the ultrasensitive detection of low-concentration molecules and selective identification. Nevertheless, the optimization of SERS efficiency has been impeded by limitations in controlling the size of nanoparticles utilized in this technique. Method: In this study, the morphology, structure, chemical components, and optical properties of the as-synthesized Ag nanoparticles (Ag NPs) via a hydrothermal method were thoroughly investigated by sophisticated analyses. The synthesized Ag NPs were characterized for its morphological characteristics using scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), transmission electron microscopy (TEM), X-ray diffraction (XRD), UV-Vis absorption spectroscopy, Raman spectroscopy, and assessed for their SERS performance in detecting organic substances including Crystal Violet (CV) and Rhodamine B (RhB). Results: The results showed that Ag NPs with different sizes could be obtained from 10 to 30 nm. These sizes corresponded to the duration of the hydrothermal method, which was 15, 20, and 25 hours, respectively. The optimal sample exhibited the capability to detect dye molecule solutions at diluted-low concentrations as low as 10-8 M. Conclusion: Through these results, we contribute to advancing the understanding of tailored nanoparticle synthesis for superior SERS performance, thus opening avenues for enhanced molecular detection in various applied analytical fields. Raman spectroscopy ; Spectroscopy ; Materials science ; Scanning electron microscope ; Nanoparticle ; Transmission electron microscopy ; Raman scattering ; Plasmon ; Rhodamine B ; Analytical Chemistry (journal) ; Nanotechnology ; Molecule ; Absorption spectroscopy ; Rhodamine 6G ; Energy-dispersive X-ray spectroscopy ; Hydrothermal circulation ; Chemical engineering ; Chemistry ; Optoelectronics ; Optics ; Chromatography ; Organic chemistry ; Photocatalysis Gold and Silver Nanoparticles Synthesis and Applications ; Nanoparticles: synthesis and applications ; Spectroscopy Techniques in Biomedical and Chemical Research