jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Huijie Li | Rui Ma | Feifei Chen | Danting Wang | Hongmin Zhang | Chunyang Lu
Source: Molecules (article, 2023-09-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Constructing Interconnected Microporous Structures in Carbon by Homogeneous Activation as a Sustainable Electrode Material for High-Performance Supercapacitors Microporous carbon attracts attention as an electrode material for supercapacitors. However, a large number of deep and distorted mesoporous and macroporous structures are usually created by non-uniform etching, resulting in underutilized internal space. Homogeneous activation has been considered by researchers as a necessary condition for the formation of interconnected microporous structures in carbon materials. Herein, a simple strategy of hydrothermal introduction of defects followed by homogeneous activation for the preparation of microporous carbon was developed for the synthesis of electrode materials for high-performance supercapacitors. The optimized sample with defect-enriched microporous structure and large specific surface area has a specific capacity of 315 F g<sup>-1</sup> (1 A g<sup>-1</sup>) in KOH solution, and the assembled symmetric supercapacitor achieves a high energy density of 7.3 Wh kg<sup>-1</sup> at a power density of 250 W kg<sup>-1</sup>. This work is interesting because it not only demonstrates that rational design of electrode materials is important to boost the performance of supercapacitors, but also provides inspiration for the design of efficient supercapacitors in the future. Supercapacitor ; Microporous material ; Materials science ; Mesoporous material ; Carbon fibers ; Nanotechnology ; Electrode ; Power density ; Capacitance ; Hydrothermal circulation ; Chemical engineering ; Specific surface area ; Composite material ; Chemistry ; Power (physics) ; Composite number ; Organic chemistry ; Catalysis Supercapacitor Materials and Fabrication ; Advancements in Battery Materials ; Advanced battery technologies research
Authors: Monita Muralidharan | Nevan J. Krogan | Mehdi Bouhaddou | Minkyu Kim
Source: NAR Cancer (article, 2023-03-11)
Field: Chemistry — Spectroscopy

Current proteomics methods applicable to dissecting the DNA damage response The DNA damage response (DDR) entails reorganization of proteins and protein complexes involved in DNA repair. The coordinated regulation of these proteomic changes maintains genome stability. Traditionally, regulators and mediators of DDR have been investigated individually. However, recent advances in mass spectrometry (MS)-based proteomics enable us to globally quantify changes in protein abundance, post-translational modifications (PTMs), protein localization, and protein-protein interactions (PPIs) in cells. Furthermore, structural proteomics approaches, such as crosslinking MS (XL-MS), hydrogen/deuterium exchange MS (H/DX-MS), Native MS (nMS), provide large structural information of proteins and protein complexes, complementary to the data collected from conventional methods, and promote integrated structural modeling. In this review, we will overview the current cutting-edge functional and structural proteomics techniques that are being actively utilized and developed to help interrogate proteomic changes that regulate the DDR. Proteomics ; Computational biology ; DNA damage ; Quantitative proteomics ; Mass spectrometry ; Posttranslational modification ; Biology ; Chemistry ; Cell biology ; DNA ; Biochemistry ; Gene ; Enzyme ; Chromatography Mass Spectrometry Techniques and Applications ; DNA Repair Mechanisms ; Advanced Proteomics Techniques and Applications
Authors: Tongqian Zhang | Yan Xi | Han Wang | Zengzhi Zhang
Source: Water Science & Technology Water Supply (article, 2023-07-31)
Field: Materials Science — Surfaces, Coatings and Films

Surfaces with modified morphology and wettability arrangement: a potential medium for water harvesting in desertification areas Abstract The cost of water transport for irrigating drought-endurable plants in desertification areas makes it important to develop other water sources. Research shows that freshwater produced by dewing could satisfy the water requirement during germination of desert plants, therefore, functional materials that promote dew formation provide solutions for reduction of plant irrigation costs in desertification regions. In this review, feasibility of utilizing trace irrigation for ensuring survival of desert plants has been demonstrated. The technologies of preparing water harvesting materials with modified microstructure and wettability arrangement have been introduced, it has been shown that surface embedded with a bump array which has counter wettability compared with its plane section is a common morphology adopted by current works. After comparing climates in desertification regions with those in dewing chambers, it has been found that currently, the expected values of dew productivities of most water harvesting materials in deserted areas will not be as efficient as they performed in experiments due to low relative humidity. However, hydrophobic surface with submicron scale hydrophilic spherical cavity array produced by nanosphere lithography has shown reliable prospects in reducing the energy barrier of heterogeneous nucleation and thus become a more potential medium in dew water production. Dew ; Desertification ; Rainwater harvesting ; Wetting ; Environmental science ; Irrigation ; Materials science ; Agronomy ; Composite material ; Meteorology ; Geography ; Ecology ; Condensation Surface Modification and Superhydrophobicity ; Solar-Powered Water Purification Methods ; Electrohydrodynamics and Fluid Dynamics
Authors: Ф. Х. Уракаев | Natalya Khan | Almagul Niyazbayeva | Dinar N. Zharlykasimova | Mukhambetkali Burkitbayev
Source: Chimica Techno Acta (article, 2023-06-02)
Field: Chemistry — Organic Chemistry

Mechanochemical recrystallization: Forgotten basics and new possibilities The task of this article is to update, develop and introduce into scientific practice the method of "mechanochemical recrystallization" in solid-phase systems with small additives of the liquid phase of the solvent and solid-phase precursors to stabilize the formed nanoparticles. The essence of this method is shown using the example of mechanical activation of the S–AgNO3–NH4X system, where X = Cl, Br, I, with the addition of dimethyl sulfoxide (DMSO), and the resulting mechanochemical synthesis of sulfur-containing nanocomposites S/AgX with the controlled content of sulfur nanoparticles (nanosulfur). The predetermined content of nanosulfur in nanocomposites is ensured by a continuous process of dissolution-crystallization (recrystallization) of starting sulfur in the DMSO medium in a mechanochemical reactor. The proposed technical solution made it possible to obtain S/AgX nanocomposites by a single mechanical treatment of powder precursors – AgNO3, NH4Х, NH4NO3 (diluent), commercial sulfur and DMSO in planetary ball mills with various milling tools. The method also includes washing the water-soluble components of mechanosynthesis. Mechanosynthesis ; Recrystallization (geology) ; Ball mill ; Dissolution ; Nanocomposite ; Chemical engineering ; Sulfur ; Materials science ; Crystallization ; Mechanochemistry ; Nanoparticle ; Diluent ; Solvent ; Chemistry ; Nanotechnology ; Organic chemistry ; Metallurgy Chemical Thermodynamics and Molecular Structure ; Crystallization and Solubility Studies
Authors: Cody Falconer | Yafei Wang | Kumar Sridharan | Adrien Couet
Source: Applied Materials Today (article, 2023-06-01)
Field: Materials Science — Metals and Alloys

Activity gradient mass transport accelerated corrosion of stainless steel in molten salt Galvanic cell ; Molten salt ; Corrosion ; Galvanic corrosion ; Degradation (telecommunications) ; Coupling (piping) ; Salt (chemistry) ; Electrochemistry ; Materials science ; Metallurgy ; Electrochemical potential ; Mass transport ; Chemistry ; Biochemical engineering ; Computer science ; Electrode ; Engineering Hydrogen embrittlement and corrosion behaviors in metals ; Corrosion Behavior and Inhibition ; Concrete Corrosion and Durability
Authors: Jia Liu | Yan Yao | Zimu Zhang | Yuchen Liu | Jia Ge | Zisheng Guan
Source: Materials (article, 2023-05-10)
Field: Materials Science — Electronic, Optical and Magnetic Materials

A Simple Method for the Fabrication of Silicon Inverted Pyramid Substrates for Surface-Enhanced Raman Spectroscopy Silicon inverted pyramids have been shown to exhibit superior SERS properties compared to ortho-pyramids, yet low-cost, simple preparation processes are lacking at present. This study demonstrates a simple method, silver-assisted chemical etching combined with PVP, to construct silicon inverted pyramids with a uniform size distribution. Two types of Si substrates for surface-enhanced Raman spectroscopy (SERS) were prepared via silver nanoparticles deposited on the silicon inverted pyramids by electroless deposition and radiofrequency sputtering, respectively. The experiments were conducted using rhodamine 6G (R<sub>6</sub>G), methylene blue (MB) and amoxicillin (AMX) molecules to test the SERS properties of the Si substrates with inverted pyramids. The results indicate that the SERS substrates show high sensitivity to detect the above molecules. In particular, the sensitivity and reproducibility of the SERS substrates with a denser silver nanoparticle distribution, prepared by radiofrequency sputtering, are significantly higher than those of the electroless deposited substrates to detect R<sub>6</sub>G molecules. This study sheds light on a potential low-cost and stable method for preparing silicon inverted pyramids, which is expected to replace the costly commercial Klarite SERS substrates. Materials science ; Silicon ; Rhodamine 6G ; Raman spectroscopy ; Surface-enhanced Raman spectroscopy ; Nanotechnology ; Molecule ; Methylene blue ; Sputtering ; Analytical Chemistry (journal) ; Chemical engineering ; Optoelectronics ; Raman scattering ; Chemistry ; Optics ; Thin film ; Chromatography ; Organic chemistry Gold and Silver Nanoparticles Synthesis and Applications ; Spectroscopy Techniques in Biomedical and Chemical Research ; Biosensors and Analytical Detection
Authors: Jia Sun | Zuying Zhou | Yang Zhou | Ting Liu | Yueting Li | Zipeng Gong | Yang Jin | Lin Zheng | Yong Huang
Source: International Journal of Molecular Sciences (article, 2023-09-05)
Field: Materials Science — Biomaterials

Anti-Rheumatoid Arthritis Pharmacodynamic Substances Screening of Periploca forrestii Schltr.: Component Analyses In Vitro and In Vivo Combined with Multi-Technical Metabolomics The purpose of this study was to elucidate the metabolic action patterns of <i>P. forrestii</i> against rheumatoid arthritis (RA) using metabolomics, and to obtain its potential effective substances for treating RA. First, the therapeutic effects of <i>P. forrestii</i> against RA were confirmed; second, the chemical composition of <i>P. forrestii</i> was analyzed, and 17 prototypes were absorbed into blood; subsequently, plasma metabolomics studies using UPLC-Triple-TOF-MS/MS and GC-MS were performed to disclose the metabolomics alterations in groups, which revealed 38 altered metabolites after drug intervention. These metabolites were all associated with the arthritis pathophysiology process (-log(<i>p</i>) > 1.6). Among them, sorted by variable important in projection (VIP), the metabolites affected (VIP ≥ 1.72) belonged to lipid metabolites. Finally, Pearson's analysis between endogenous metabolites and exogenous compounds was conducted to obtain potential pharmacological substances for the <i>P. forrestii</i> treatment of RA, which showed a high correlation between five blood-absorbed components and <i>P. forrestii</i>-regulated metabolites. This information provides a basis for the selection of metabolic action modes for <i>P. forrestii</i> clinical application dosage, and potential pharmacological substances that exerted anti-RA effects of <i>P. forrestii</i> were discovered. The study provided an experimental basis for further research on pharmacoequivalence, molecular mechanism validation, and even the development of new dosage forms in the future. Metabolomics ; Pharmacology ; Rheumatoid arthritis ; In vivo ; Pharmacodynamics ; Chemistry ; Medicine ; Pharmacokinetics ; Biology ; Chromatography ; Internal medicine ; Biotechnology Phytochemistry and Bioactive Compounds ; Pharmacological Effects of Natural Compounds ; Natural product bioactivities and synthesis
Authors: Zheng Jiang | Hong Wang | Miao Yu | Cheng Qu | Wei Yue | Qinan Wu
Source: Journal of Separation Science (article, 2023-09-10)
Field: Chemistry — Spectroscopy

A low‐cost efficient online derivatization system for the determination of saccharides by high‐performance liquid chromatograph‐ultraviolet detector In this study, a low-cost efficient online derivatization system was developed which allows for the detection of various types of mono- and oligo-saccharides only utilizing high-performance liquid chromatography (HPLC)-ultraviolet detector (UV) system. In the proposed method, phenylhydrazine was used as the derivatization reagent and directly spiked in the mobile phase, allowing for the separation and detection of mono- and oligosaccharides in an accessible instrument system (HPLC-UV). And the online derivatization design of the proposed method has significantly reduced the potential harm of derivatization reagents to the analysts. Furthermore, critical chromatographic parameters were optimized via the Box-Behnken design strategy, culminating in the ideal response for saccharides. Finally, the methodology validation of the proposed method was conducted. The proposed method showed satisfactory linear ranges with acceptable correlation coefficients (R<sup>2</sup> > 0.99), outstanding accuracy (Recovery: 95.3%-105.6%), high intra-day precision (relative standard deviation [RSD]: 1.4%-7.1%) and inter-day precision (RSD: 2.0%-7.4%). The robustness and ruggedness of the proposed method were proved as the recovery values in the range of 95.0%-104.6% and 95.1%-104.8% for robustness and ruggedness, respectively. These satisfactory validation results confirm the applicability and reliability of the proposed method for the analysis of saccharides in various complex real-world samples. Derivatization ; Chromatography ; Chemistry ; High-performance liquid chromatography ; Reagent ; Ultraviolet ; Materials science Analytical Chemistry and Chromatography ; Biochemical Analysis and Sensing Techniques ; Glycosylation and Glycoproteins Research
Authors: Edgar Manriquez‐Sandoval | J. P. N. Brewer | Gabriela Lule | Samanta Lopez | Stephen D. Fried
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2023-12-05)
Field: Chemistry — Spectroscopy

FLiPPR: A Processor for Limited Proteolysis (LiP) Mass Spectrometry Datasets Built on FragPipe Here, we present FLiPPR, or FragPipe LiP (limited proteolysis) Processor, a tool that facilitates the analysis of data from limited proteolysis mass spectrometry (LiP-MS) experiments following primary search and quantification in FragPipe. LiP-MS has emerged as a method that can provide proteome-wide information on protein structure and has been applied to a range of biological and biophysical questions. Although LiP-MS can be carried out with standard laboratory reagents and mass spectrometers, analyzing the data can be slow and poses unique challenges compared to typical quantitative proteomics workflows. To address this, we leverage the fast, sensitive, and accurate search and label-free quantification algorithms in FragPipe and then process its output in FLiPPR. FLiPPR formalizes a specific data imputation heuristic that carefully uses missing data in LiP-MS experiments to report on the most significant structural changes. Moreover, FLiPPR introduces a new data merging scheme (from ions to cut-sites) and a protein-centric multiple hypothesis correction scheme, collectively enabling processed LiP-MS datasets to be more robust and less redundant. These improvements substantially strengthen statistical trends when previously published data are reanalyzed with the FragPipe/FLiPPR workflow. As a final feature, FLiPPR facilitates the collection of structural metadata to identify correlations between experiments and structural features. We hope that FLiPPR will lower the barrier for more users to adopt LiP-MS, standardize statistical procedures for LiP-MS data analysis, and systematize output to facilitate eventual larger-scale integration of LiP-MS data. Computer science ; Leverage (statistics) ; Workflow ; Metadata ; Data mining ; Mass spectrometry ; Information retrieval ; Artificial intelligence ; Database ; Chemistry ; Chromatography Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Georgia R. F. Orton | Neil R. Champness
Source: Nature Materials (article, 2023-12-20)
Field: Chemistry — Inorganic Chemistry

Through the MOF looking glass Zeolitic imidazolate framework ; Materials science ; Nanotechnology ; Porosity ; Porous glass ; Porous medium ; Nanoscopic scale ; Imidazolate ; Microporous material ; Chemical engineering ; Metal-organic framework ; Composite material ; Adsorption ; Chemistry ; Physical chemistry Metal-Organic Frameworks: Synthesis and Applications ; Gas Sensing Nanomaterials and Sensors ; Lanthanide and Transition Metal Complexes
Authors: Tobias Vornholt | Zlatko Jončev | Valerio Sabatino | Sven Panke | Thomas R. Ward | Christof Sparr | Markus Jeschek
Source: ChemCatChem (article, 2023-11-06)
Field: Chemistry — Organic Chemistry

An Artificial Metalloenzyme for Atroposelective Metathesis** Abstract Atropisomers – separable conformers that arise from restricted single‐bond rotation – are frequently encountered in medicinal chemistry. However, preparing such compounds with the desired configuration can be challenging. Herein, we present a biocatalytic strategy for achieving atroposelective synthesis relying on artificial metalloenzymes (ArMs). Based on the biotin‐streptavidin technology, we constructed ruthenium‐bearing ArMs capable of producing atropisomeric binaphthalene compounds through ring‐closing metathesis in aqueous media. Further, we show that atroposelectivity can be fine‐tuned by engineering two close‐lying amino acid residues within the streptavidin host protein. The resulting ArMs promote product formation with enantiomeric ratios of up to 81 : 19, while small‐molecule catalysts for atroposelective metathesis under aqueous reaction conditions are yet unknown. This study represents the first demonstration that stereoselective metathesis can be achieved by an artificial metalloenzyme. Atropisomer ; Metathesis ; Chemistry ; Streptavidin ; Ring-closing metathesis ; Combinatorial chemistry ; Enantiomer ; Ruthenium ; Biocatalysis ; Salt metathesis reaction ; Catalysis ; Organic chemistry ; Polymerization ; Biotin ; Reaction mechanism ; Polymer Axial and Atropisomeric Chirality Synthesis ; Synthetic Organic Chemistry Methods ; Carbohydrate Chemistry and Synthesis
Authors: Jiang Nan | Guanjie Huang | Shilei Liu | Jing Wang | Yangmin Ma | Xinjun Luan
Source: Chemical Science (article, 2023-01-01)
Field: Chemistry — Organic Chemistry

In(OTf)<sub>3</sub>-catalyzed reorganization/cycloaddition of two imine units and subsequent modular assembly of acridinium photocatalysts Herein, we disclose a novel reorganization/cycloaddition between two imine units catalyzed by In(OTf)<sub>3</sub> Lewis acid that differs from the well-known [4 + 2] cycloaddition version <i>via</i> the Povarov reaction. By means of this unprecedented imine chemistry, a collection of synthetically useful dihydroacridines has been synthesized. Notably, the obtained products give rise to a series of structurally novel and fine-tuneable acridinium photocatalysts, offering a heuristic paradigm for synthesis and efficiently facilitating several encouraging dihydrogen coupling reactions. Cycloaddition ; Imine ; Catalysis ; Lewis acids and bases ; Chemistry ; Modular design ; Combinatorial chemistry ; Organic chemistry ; Computer science ; Programming language Oxidative Organic Chemistry Reactions ; Catalytic C–H Functionalization Methods ; Radical Photochemical Reactions
Authors: Weigao Han | Weitong Ling | Peng Gao | Fang Dong | Zhicheng Tang
Source: SSRN Electronic Journal (preprint, 2023-01-01)
Field: Materials Science — Materials Chemistry

Engineering Pt Single Atom Catalyst with Abundant Lattice Oxygen by Dual Nanospace Confinement Strategy for the Efficient Catalytic Elimination of Vocs Catalysis ; Dual (grammatical number) ; Oxygen ; Oxygen atom ; Lattice (music) ; Atom (system on chip) ; Nanotechnology ; Chemical engineering ; Materials science ; Chemistry ; Physics ; Computer science ; Engineering ; Organic chemistry ; Molecule ; Parallel computing Catalytic Processes in Materials Science ; Electrocatalysts for Energy Conversion ; Nanomaterials for catalytic reactions
Authors: G. Manikandan | Y.N. Sudhakar | M. Selvakumar | S. Pitchumani | N.G. Renganathan
Source: Polymer Bulletin (article, 2023-08-17)
Field: Materials Science — Polymers and Plastics

Customized poly (aniline-co-o-aminobenzoic acid) by functionalizing with n/p dopants and its application in symmetrical redox supercapacitor Abstract The chemically synthesized poly (aniline-co- o -aminobenzoic acid) copolymer was functionalized electrochemically by cationic and anionic doping and tailored its property for suitable redox behavior. The mechanism during this process has been proposed using cyclic voltammetry studies, and the doping was confirmed in FTIR and UV studies. In the electrochemical impedance spectroscopy, undoped and doped behavior revealed the possibility of fine-tuning of conditions that are required for redox supercapacitor. A symmetrical supercapacitor was fabricated with an optimized doped co-polymer-based electrode and the specific capacitance values were 107 Fg −1 for n -doped polymer and 140 Fg −1 for p -doped polymer. The electrochemical characterization of n / p 1 cm 2 cells in terms of specific power, specific energy, specific capacitance, columbic efficiency, IR drop, and ESR was calculated from charge/discharge studies. Data were analyzed in terms of complex power versus complex capacitance, and hence, active region of n / p supercapacitor was obtained. This concept paves way for future tailoring of dopants during the synthesis of conducting polymer and its copolymers. Graphical abstract Supercapacitor ; Materials science ; Dielectric spectroscopy ; Cyclic voltammetry ; Dopant ; Conductive polymer ; Redox ; Polymer ; Chemical engineering ; Aniline ; Capacitance ; Electrochemistry ; Polymer chemistry ; Doping ; Electrode ; Organic chemistry ; Chemistry ; Physical chemistry ; Composite material Conducting polymers and applications ; Supercapacitor Materials and Fabrication ; Electrochemical sensors and biosensors