jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yilin Li | Jipeng Fan | Jiahe Peng | Yujie Zheng | Weiping Gong | Jizhou Jiang
Source: Nano Research (article, 2024-12-16)
Field: Materials Science — Polymers and Plastics

2D S-doped g-C <sub>3</sub>N <sub>4</sub> and V <sub>2</sub>CT <sub> <i>x</i> </sub> nanocomposites for ultra-sensitive electrochemical sensing uric acid Accurate and sensitive detection of uric acid (UA) is crucial, as abnormal UA levels are often indicative of various diseases. This work introduces a straightforward electrochemical sensor utilizing a two-dimensional (2D) nanocomposite of S-doped g-C<sub>3</sub>N<sub>4</sub> (SCN) and V<sub>2</sub>CT<sub><i>x</i></sub> MXene (SCN/V<sub>2</sub>C), which was prepared via ball milling followed by calcination. The SCN/V<sub>2</sub>C nanocomposite demonstrates superior conductivity and a reduced band gap relative to pure g-C<sub>3</sub>N<sub>4</sub>, leading to improved electrochemical performance for UA detection. Differential pulse voltammetry (DPV) measurements revealed a limit of detection (LOD) of 1 μM for UA and a linear response range spanning from 3 μM to 1 mM. Furthermore, experimental results confirmed the excellent stability of the SCN/V<sub>2</sub>C nanocomposite. Density functional theory (DFT) calculations revealed that SCN/V<sub>2</sub>C acts as a powerful electron donor, while UA functions as an efficient electron acceptor. The electron transfer between SCN/V<sub>2</sub>C and UA is significantly greater than that with other common interfering biological molecules, leading to the highest adsorption energy of UA on the SCN/V<sub>2</sub>C surface. This strong interaction accounts for the sensor’s exceptional selectivity. This newly developed sensor provides a straightforward and highly sensitive approach for the electrochemical detection of trace levels of UA in real biological samples. Doping ; Electrochemistry ; Materials science ; Nanocomposite ; Analytical Chemistry (journal) ; Nanotechnology ; Optoelectronics ; Physical chemistry ; Electrode ; Chemistry ; Organic chemistry Conducting polymers and applications ; Gas Sensing Nanomaterials and Sensors ; Analytical Chemistry and Sensors
Authors: Miha Ravbar | Ksenija Maver | Tilen Knaflič | Iztok Arčon | Nataša Novak Tušar | Urška Lavrenčić Štangar | Andraž Šuligoj
Source: Applied Surface Science (article, 2024-10-09)
Field: Chemistry — Organic Chemistry

Nickel-decorated ZnO nanoparticles for effective solar reduction of hexavalent chromium and removal of selected pharmaceuticals • The optimal metal for decorating surface of ZnO was shown to be nickel. • The optimal grafting concentration was 0.5 wt% • The clusters were below 2 nm in size and were identified as oxo-clusters. • The improved reduction activity was due to the co-catalyst nature of nickel clusters. • Such material was capable of being immobilized onto glass beads and used in flow through mode to purify water under visible light. The efficient visible light driven photocatalytic reduction of hexavalent chromium, Cr(VI) was demonstrated using ZnO nanoparticles (NPs) decorated with oxo-clusters of transition metals. The ZnO NPs were synthesized by a facile one-pot solvothermal synthesis followed by a fast microwave-assisted (MW) grafting of transition metals on the surface of NPs. Nickel was found to be the most active transition metal for photocatalytic activity as demonstrated by reduction of Cr(VI) to Cr(III). The optimally grafted samples contained 0.5 wt% Ni and increased photocatalytic activity by almost one-fold. The oxo-clusters did not enter the lattice of ZnO but rather resided on the surface and their efficient bonding to the ZnO surface was proved by Raman, TEM and X-Ray absorption techniques. Influence of MW power was studied and shown that excessive power load leads to formation of elongated structures of ZnO which decreases the photocatalytic activity. It was demonstrated by measuring fluorescent radical products that electrons, efficiently transferred via oxygen, were the main active species in combination with the unchanged oxidation power of holes and • OH in the grafted samples. The applicability of the materials was tested in immobilized plug flow photoreactor system degrading five pharmaceuticals simultaneously where their long-term use was shown. Hexavalent chromium ; Nickel ; Materials science ; Chromium ; Nanoparticle ; Reduction (mathematics) ; Metallurgy ; Chemical engineering ; Nanotechnology ; Engineering Nanomaterials for catalytic reactions ; Copper-based nanomaterials and applications ; Advanced Photocatalysis Techniques
Authors: Shweta Shinde | Vikas Rajurkar
Source:  (review, 2024-01-01)
Field: Chemistry — Spectroscopy

Advances in High-Performance Liquid Chromatography (HPLC) Method Development and Validation: A Comprehensive Review High-Performance Liquid Chromatography (HPLC) stands as the cornerstone technique for the detection, separation, and quantification of drugs in various matrices. Method optimization necessitates a thorough investigation of multiple chromatographic parameters, encompassing sample pretreatment, mobile phase composition, column selection, and detector configuration. This article aims to comprehensively address the processes of method development, optimization, and validation within the realm of HPLC. The inherent advantages of HPLC, including its rapidity, specificity, accuracy, precision, and automation feasibility, render it an indispensable tool for analyzing a wide spectrum of drugs in complex multi-component dosage forms. Furthermore, HPLC method development and validation hold paramount importance across the spectrum of drug discovery, development, and manufacturing, as well as in diverse human and animal studies. The validation of analytical methods during drug development and manufacturing is imperative to ensure their fitness for the intended purpose. Adhering to Good Manufacturing Practice (GMP) requirements, pharmaceutical industries must establish comprehensive validation policies outlining the validation procedures. This article primarily delves into the optimization of HPLC conditions, emphasizing the critical role of method refinement in ensuring robust and reliable analytical methods. Computer science ; High-performance liquid chromatography ; Biochemical engineering ; Pharmaceutical manufacturing ; Automation ; Chromatography ; Chemistry ; Engineering ; Bioinformatics ; Biology Analytical Chemistry and Chromatography ; Analytical Methods in Pharmaceuticals ; Pesticide Residue Analysis and Safety
Authors: Shan Guo | Wenwen Zhan | Feng‐Lei Yang | Jie Zhou | Yu-Hao Duan | Dawei Zhang | Yang Yang
Source: Nature Communications (article, 2024-07-04)
Field: Chemistry — Organic Chemistry

Enantiopure trigonal bipyramidal coordination cages templated by in situ self-organized D2h-symmetric anions The control of a molecule's geometry, chirality, and physical properties has long been a challenging pursuit. Our study introduces a dependable method for assembling D<sub>3</sub>-symmetric trigonal bipyramidal coordination cages. Specifically, D<sub>2h</sub>-symmetric anions, like oxalate and chloranilic anions, self-organize around a metal ion to form chiral-at-metal anionic complexes, which template the formation of D<sub>3</sub>-symmetric trigonal bipyramidal coordination cages. The chirality of the trigonal bipyramid is determined by the point chirality of chiral amines used in forming the ligands. Additionally, these cages exhibit chiral selectivity for the included chiral-at-metal anionic template. Our method is broadly applicable to various ligand systems, enabling the construction of larger cages when larger D<sub>2h</sub>-symmetric anions, like chloranilic anions, are employed. Furthermore, we successfully produce enantiopure trigonal bipyramidal cages with anthracene-containing backbones using this approach, which would be otherwise infeasible. These cages exhibit circularly polarized luminescence, which is modulable through the reversible photo-oxygenation of the anthracenes. Enantiopure drug ; Trigonal bipyramidal molecular geometry ; Chirality (physics) ; Crystallography ; Chemistry ; Trigonal pyramidal molecular geometry ; Stereochemistry ; Physics ; Crystal structure ; Enantioselective synthesis ; Organic chemistry ; Catalysis Supramolecular Chemistry and Complexes ; Molecular Sensors and Ion Detection ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Wanying Wei | Ping Lü
Source: Molecules (article, 2024-11-08)
Field: Chemistry — Inorganic Chemistry

Engineering pH and Temperature-Triggered Drug Release with Metal-Organic Frameworks and Fatty Acids This study reports the successful synthesis of core-shell microparticles utilizing coaxial electrospray techniques, with zeolitic imidazolate framework-8 (ZIF-8) encapsulating rhodamine B (RhB) in the core and a phase change material (PCM) shell composed of a eutectic mixture of lauric acid (LA) and stearic acid (SA). ZIF-8 is well-recognized for its pH-responsive degradation and biocompatibility, making it an ideal candidate for targeted drug delivery. The LA-SA PCM mixture, with a melting point near physiological temperature (39 °C), enables temperature-triggered drug release, enhancing therapeutic precision. The structural properties of the microparticles were extensively characterized through scanning electron microscopy (SEM), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), differential scanning calorimetry (DSC), and thermogravimetric analysis (TGA). Drug release studies revealed a dual-stimuli response, where the release of RhB was significantly influenced by both temperature and pH. Under mildly acidic conditions (pH 4.0) at 40 °C, a rapid and complete release of RhB was observed within 120 h, while at 37 °C, the release rate was notably slower. Specifically, the release at 40 °C was 79% higher than at 37 °C, confirming the temperature sensitivity of the system. Moreover, at physiological pH (7.4), minimal drug release occurred, demonstrating the system's potential for minimizing premature drug release under neutral conditions. This dual-stimuli approach holds promise for improving therapeutic outcomes in cancer treatment by enabling precise control over drug release in response to both pH and localized hyperthermia, reducing off-target effects and improving patient compliance. Metal-organic framework ; Drug ; Chemistry ; Combinatorial chemistry ; Organic chemistry ; Pharmacology ; Biology Metal-Organic Frameworks: Synthesis and Applications ; Crystallization and Solubility Studies ; Enhanced Oil Recovery Techniques
Authors: V. E. Silant’ev | Andrei S. Belousov | Fedor O. Trukhin | Nadezhda E. Struppul | Mikhail E. Shmelev | Aleksandra A. Patlay | Roman A. Shatilov | Vadim Kumeiko
Source: Biomedicines (article, 2024-06-23)
Field: Materials Science — Biomaterials

Rational Design of Pectin–Chitosan Polyelectrolyte Nanoparticles for Enhanced Temozolomide Delivery in Brain Tumor Therapy Conventional chemotherapeutic approaches currently used for brain tumor treatment have low efficiency in targeted drug delivery and often have non-target toxicity. Development of stable and effective drug delivery vehicles for the most incurable diseases is one of the urgent biomedical challenges. We have developed polymer nanoparticles (NPs) with improved temozolomide (TMZ) delivery for promising brain tumor therapy, performing a rational design of polyelectrolyte complexes of oppositely charged polysaccharides of cationic chitosan and anionic pectin. The NPs' diameter (30 to 330 nm) and zeta-potential (-29 to 73 mV) varied according to the initial mass ratios of the biopolymers. The evaluation of nanomechanical parameters of native NPs demonstrated changes in Young's modulus from 58 to 234 kPa and adhesion from -0.3 to -3.57 pN. Possible mechanisms of NPs' formation preliminary based on ionic interactions between ionogenic functional groups were proposed by IR spectroscopy and dynamic rheology. The study of the parameters and kinetics of TMZ sorption made it possible to identify compounds that most effectively immobilize and release the active substance in model liquids that simulate the internal environment of the body. A polyelectrolyte carrier based on an equal ratio of pectin-chitosan (0.1% by weight) was selected as the most effective for the delivery of TMZ among a series of obtained NPs, which indicates a promising approach to the treatment of brain tumors. Temozolomide ; Chitosan ; Polyelectrolyte ; Pectin ; Nanoparticle ; Chemistry ; Pharmacology ; Glioma ; Medicine ; Cancer research ; Nanotechnology ; Biochemistry ; Materials science ; Polymer ; Organic chemistry Nanoparticle-Based Drug Delivery ; Advanced Drug Delivery Systems ; Graphene and Nanomaterials Applications
Authors: Jacopo Perego | Andrea Daolio | Charl X. Bezuidenhout | Sergio Piva | Giacomo Prando | Benjamin Costarella | P. Carretta | Luciano Marchiò | Dominik J. Kubicki | Piero Sozzani | Silvia Bracco | Angiolina Comotti
Source: Angewandte Chemie International Edition (article, 2024-01-18)
Field: Chemistry — Inorganic Chemistry

Solid State Machinery of Multiple Dynamic Elements in a Metal–Organic Framework Engineering coordinated rotational motion in porous architectures enables the fabrication of molecular machines in solids. A flexible two-fold interpenetrated pillared Metal-Organic Framework precisely organizes fast mobile elements such as bicyclopentane (BCP) (10<sup>7</sup> Hz regime at 85 K), two distinct pyridyl rotors and E-azo group involved in pedal-like motion. Reciprocal sliding of the two sub-networks, switched by chemical stimuli, modulated the sizes of the channels and finally the overall dynamical machinery. Actually, iodine-vapor adsorption drives a dramatic structural rearrangement, displacing the two distinct subnets in a concerted piston-like motion. Unconventionally, BCP mobility increases, exploring ultra-fast dynamics (10<sup>7</sup> Hz) at temperatures as low as 44 K, while the pyridyl rotors diverge into a faster and slower dynamical regime by symmetry lowering. Indeed, one pillar ring gained greater rotary freedom as carried by the azo-group in a crank-like motion. A peculiar behavior was stimulated by pressurized CO<sub>2,</sub> which regulates BCP dynamics upon incremental site occupation. The rotary dynamics is intrinsically coupled to the framework flexibility as demonstrated by complementary experimental evidence (multinuclear solid-state NMR down to very low temperatures, synchrotron radiation XRD, gas sorption) and computational modelling, which helps elucidate the highly sophisticated rotor-structure interplay. Fabrication ; Solid-state ; Metal-organic framework ; Porosity ; Materials science ; Metal ; Nanotechnology ; State (computer science) ; Computer science ; Process engineering ; Engineering ; Chemistry ; Engineering physics ; Organic chemistry ; Composite material ; Metallurgy ; Algorithm Metal-Organic Frameworks: Synthesis and Applications ; Supramolecular Chemistry and Complexes ; Crystallography and molecular interactions
Authors: Siene Swinnen | Francisco de Azambuja | Tatjana N. Parac‐Vogt
Source: Advanced Healthcare Materials (review, 2024-09-09)
Field: Chemistry — Inorganic Chemistry

From Nanozymes to Multi‐Purpose Nanomaterials: The Potential of Metal–Organic Frameworks for Proteomics Applications Metal-organic frameworks (MOFs) have the potential to revolutionize the biotechnological and medical landscapes due to their easily tunable crystalline porous structure. Herein, the study presents MOFs' potential impact on proteomics, unveiling the diverse roles MOFs can play to boost it. Although MOFs are excellent catalysts in other scientific disciplines, their role as catalysts in proteomics applications remains largely underexplored, despite protein cleavage being of crucial importance in proteomics protocols. Additionally, the study discusses evolving MOF materials that are tailored for proteomics, showcasing their structural diversity and functional advantages compared to other types of materials used for similar applications. MOFs can be developed to seamlessly integrate into proteomics workflows due to their tunable features, contributing to protein separation, peptide enrichment, and ionization for mass spectrometry. This review is meant as a guide to help bridge the gap between material scientists, engineers, and MOF chemists and on the other side researchers in biology or bioinformatics working in proteomics. Proteomics ; Nanotechnology ; Workflow ; Metal-organic framework ; Nanomaterials ; Computer science ; Data science ; Materials science ; Chemistry Metal-Organic Frameworks: Synthesis and Applications ; Advanced Nanomaterials in Catalysis ; Nanocluster Synthesis and Applications
Authors: Rajashri B. Jundale | Jayesh R. Sonawane | Anil V. Palghadmal | Hemant Kumar Jaiswal | Hital S. Deore | Amol A. Kulkarni
Source: Reaction Chemistry & Engineering (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Scaling-up continuous production of mesoporous silica particles at kg scale: design &amp; operational strategies This paper demonstrates a continuous flow pilot-scale production of highly porous mesoporous silica particles (MSPs) via a soft template based technique. Continuous flow ; Scaling ; Fabrication ; Mesoporous silica ; Scale (ratio) ; Porosity ; SCALE-UP ; Mesoporous material ; Production (economics) ; Process engineering ; Materials science ; Continuous production ; Environmental science ; Chemical engineering ; Nanotechnology ; Computer science ; Chemistry ; Engineering ; Catalysis ; Biochemical engineering ; Composite material ; Mathematics ; Physics ; Organic chemistry Catalytic Processes in Materials Science ; Catalysis and Hydrodesulfurization Studies ; Mesoporous Materials and Catalysis
Authors: Lei Wang | Teng Wang | Ruidi Hao | Yamei Wang
Source: Molecules (article, 2024-02-26)
Field: Materials Science — Materials Chemistry

Construction Strategy and Mechanism of a Novel Wood Preservative with Excellent Antifungal Effects Wood is a naturally porous material prone to microbial erosion and degradation in outdoor environments. Therefore, the development of an environmentally friendly wood preservative with excellent antibacterial effects and low toxicity is urgently needed. In this study, nitrogen-doped carbon quantum dots (N-CQDs) with excellent antifungal performance and fluorescent properties were synthesized using a one-step hydrothermal method with chitosan quaternary ammonium salt (HACC) as the raw material. The fluorescence characteristics of N-CQD preservatives can help track their position and distribution in wood. The minimum inhibitory concentration (MIC) of N-CQDs is 1.8 mg/mL, which was nearly 22 times lower than that of HACC (40.0 mg/mL) in the PDA medium. The decay resistance test demonstrated that wood treated with N-CQDs showed a considerably reduced decay degree and its mass loss rate decreased from 46 ± 0.5% to 3.8 ± 0.5%. Biological transmission electron microscopy revealed that N-CQDs effectively destroyed fungal cell structures, thereby hindering the growth of <i>Coriolus versicolor</i>. N-CQDs synthesized using the one-step hydrothermal method can be used as an efficient wood preservative that can effectively improve the utilization and service life of wood. Preservative ; Hydrothermal circulation ; Chemistry ; Chitosan ; Nuclear chemistry ; Antifungal ; Environmentally friendly ; Raw material ; Degradation (telecommunications) ; Materials science ; Chemical engineering ; Food science ; Organic chemistry ; Microbiology Carbon and Quantum Dots Applications
Authors: Roy A. J. F. Oerlemans | Shoupeng Cao | Jianhong Wang | Yudong Li | Yingtong Luo | Jingxin Shao | Loai K. E. A. Abdelmohsen | Jan C. M. van Hest
Source: Biomacromolecules (article, 2024-05-02)
Field: Materials Science — Materials Chemistry

Positively Charged Biodegradable Polymersomes with Structure Inherent Fluorescence as Artificial Organelles Polymersomes, nanosized polymeric vesicles, have attracted significant interest in the areas of artificial cells and nanomedicine. Given their size, their visualization via confocal microscopy techniques is often achieved through the physical incorporation of fluorescent dyes, which however present challenges due to potential leaching. A promising alternative is the incorporation of molecules with aggregation-induced emission (AIE) behavior that are capable of fluorescing exclusively in their assembled state. Here, we report on the use of AIE polymersomes as artificial organelles, which are capable of undertaking enzymatic reactions in vitro. The ability of our polymersome-based artificial organelles to provide additional functionality to living cells was evaluated by encapsulating catalytic enzymes such as a combination of glucose oxidase/horseradish peroxidase (GO<i>x</i>/HRP) or β-galactosidase (β-gal). Via the additional incorporation of a pyridinium functionality, not only the cellular uptake is improved at low concentrations but also our platform's potential to specifically target mitochondria expands. Polymersome ; Organelle ; Fluorescence ; Chemistry ; Biophysics ; Nanotechnology ; Liposome ; Fluorescence microscope ; Materials science ; Amphiphile ; Copolymer ; Biochemistry ; Polymer ; Biology ; Organic chemistry Luminescence and Fluorescent Materials ; Molecular Sensors and Ion Detection ; Advanced Polymer Synthesis and Characterization
Authors: Xing Huang | Yang Li | Shuai Fu | Chao Ma | Lu Yang | Mingchao Wang | Peng Zhang | Ze Li | Feng He | Chuanhui Huang | Zhongquan Liao | Ye Zou | Shengqiang Zhou | M. Helm | Petko St. Petkov | Hai I. Wang | Mischa Bonn | Jian Li | Wei Xu | Renhao Dong⧫ | Xinliang Feng
Source: Angewandte Chemie International Edition (article, 2024-03-16)
Field: Chemistry — Inorganic Chemistry

Control of the Hydroquinone/Benzoquinone Redox State in High‐Mobility Semiconducting Conjugated Coordination Polymers Conjugated coordination polymers (c-CPs) are unique organic-inorganic hybrid semiconductors with intrinsically high electrical conductivity and excellent charge carrier mobility. However, it remains a challenge in tailoring electronic structures, due to the lack of clear guidelines. Here, we develop a strategy wherein controlling the redox state of hydroquinone/benzoquinone (HQ/BQ) ligands allows for the modulation of the electronic structure of c-CPs while maintaining the structural topology. The redox-state control is achieved by reacting the ligand TTHQ (TTHQ=1,2,4,5-tetrathiolhydroquinone) with silver acetate and silver nitrate, yielding Ag<sub>4</sub>TTHQ and Ag<sub>4</sub>TTBQ (TTBQ=1,2,4,5-tetrathiolbenzoquinone), respectively. In spite of sharing the same topology consisting of a two-dimensional Ag-S network and HQ/BQ layer, they exhibit different band gaps (1.5 eV for Ag<sub>4</sub>TTHQ and 0.5 eV for Ag<sub>4</sub>TTBQ) and conductivities (0.4 S/cm for Ag<sub>4</sub>TTHQ and 10 S/cm for Ag<sub>4</sub>TTBQ). DFT calculations reveal that these differences arise from the ligand oxidation state inhibiting energy band formation near the Fermi level in Ag<sub>4</sub>TTHQ. Consequently, Ag<sub>4</sub>TTHQ displays a high Seebeck coefficient of 330 μV/K and a power factor of 10 μW/m ⋅ K<sup>2</sup>, surpassing Ag<sub>4</sub>TTBQ and the other reported silver-based c-CPs. Furthermore, terahertz spectroscopy demonstrates high charge mobilities exceeding 130 cm<sup>2</sup>/V ⋅ s in both Ag<sub>4</sub>TTHQ and Ag<sub>4</sub>TTBQ. Hydroquinone ; Benzoquinone ; Conjugated system ; Redox ; Polymer ; Photochemistry ; Chemistry ; Materials science ; Inorganic chemistry ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Conducting polymers and applications ; Polyoxometalates: Synthesis and Applications