jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Khalid AM Attia | Ahmed H. Abdel‐Monem | Ahmed M. Abdel‐Raoof | Amr Eissa
Source: Scientific Reports (article, 2025-04-10)
Field: Chemistry — Analytical Chemistry

Development and validation of a highly sensitive HPLC method for quantifying cardiovascular drugs in human plasma using dual detection Cardiovascular diseases are the major cause of global mortality, and often require the concomitant use of a number of drugs to prevent and reduce these deaths. The challenge is to find effective and accurate methods for analyzing these drugs in plasma. This research introduces an innovative, sustainable HPLC-FLD method for the concurrent determination of bisoprolol (BIS), amlodipine besylate (AML), telmisartan (TEL), and atorvastatin (ATV) within human plasma. Chromatographic separation was achieved using an isocratic elution mode on a Thermo Hypersil BDS C18 column (150 × 4.6 mm, 5.0 μm), while the mobile phase comprised of ethanol and 0.03 M potassium phosphate buffer (pH 5.2) in a 40:60 ratio, with a flow rate of 0.6 mL/min. The eluate was analyzed using UV detection within the wavelength range of 210-260 nm to confirm effective separation of the four cardiovascular drugs. For enhanced specificity, a fluorescence detector was set to 227ex/298em for BIS, 294ex/365em for TEL, 274ex/378em for ATV, and 361ex/442em for amlodipine. The method was validated following the International Council for Harmonisation (ICH) guidelines. Linearity was established within the ranges of 5-100 ng/mL for BIS and AML, 0.1-5 ng/mL for TEL, and 10-200 ng/mL for ATV, ensuring accuracy and precision. The significant of the current work represented in introduction of a highly sensitive, and selective analytical method, utilizing an economical sample preparation strategy, for the simultaneous determination of four different cardiovascular drugs (bisoprolol, amlodipine, telmisartan, and atorvastatin) in spiked human plasma. The extraction of sample was carried by liquid-liquid extraction (LLE) and analyzed by LC-fluorescence detector. The chromatographic run was short (less than10 min) which is a greet economical value. Telmisartan ; Amlodipine ; Bisoprolol ; Chromatography ; Atorvastatin ; Human plasma ; Olmesartan ; Pharmacology ; Chemistry ; Medicine ; Heart failure ; Internal medicine Analytical Methods in Pharmaceuticals ; Antibiotics Pharmacokinetics and Efficacy ; Analytical Chemistry and Chromatography
Authors: Silvia Mori | Damiano Arella | Michael Decker
Source: Trends in Pharmacological Sciences (review, 2025-07-02)
Field: Materials Science — Materials Chemistry

Photoswitchable allosteric and dualsteric ligands in GPCR pharmacology G protein-coupled receptors (GPCRs) regulate numerous pathophysiological processes and have traditionally been modulated at the orthosteric site. Targeting allosteric sites offers an alternative approach that can enhance selectivity, modulate signal bias, and reduce side effects. Photopharmacology enables precise spatial and temporal drug control of receptors by light using modified drug molecules incorporating chemical photoswitches, especially azobenzenes. Allosteric and dualsteric photoswitchable ligands, the latter targeting both orthosteric and allosteric sites, are being developed - to date mainly at metabotropic glutamate (mGlu), muscarinic acetylcholine (mACh or M), and cannabinoid (CB) receptors, since their allosteric sites have been described in the most detail and with the largest number of respective allosteric ligands developed. The novel ligands can photocontrol even more refined GPCR functions, like signal bias and degrees of partial agonism. This review describes the recent development for these GPCRs in allosteric and dualsteric photoswitchable ligands, highlighting the specific challenging design, which is even more complex than for orthosteric photoswitchable ligands, since structure-activity relationships (SARs) are steep and often insufficiently described, and spacer structures strongly influence binding. Allosteric regulation ; Pharmacology ; Allosteric modulator ; G protein-coupled receptor ; Neuroscience ; Chemistry ; Medicine ; Psychology ; Receptor ; Biochemistry Photochromic and Fluorescence Chemistry ; Receptor Mechanisms and Signaling ; Chemical Synthesis and Analysis
Authors: Rui Zhou | Rongbin Zhong | Zhonghui Luo | Hua Wei | Cui‐Yun Yu
Source: Advanced NanoBiomed Research (article, 2025-06-01)
Field: Materials Science — Biomaterials

Advances on Albumin‐Based Carriers for Anticancer Drug Delivery Albumin is the most abundant protein in plasma, featuring a unique chemical structure and conformation that underpins its functions. Its excellent biocompatibility, nontoxicity and non‐immunogenicity make it an ideal carrier for encapsulating therapeutic agents, particularly in controlled release applications for cancer treatment. Although existing reviews focus on albumin‐based particulate delivery systems, there is a lack of comprehensive analysis from the perspective of using albumin's structural characteristics and binding sites for drug delivery. This review categorizes albumin's drug‐loading modes based on its surface‐active groups and internal binding sites, emphasizing drug‐loading strategies and targeting mechanisms. It also details the preparation and modification methods for albumin nanoparticles, along with clinical performance evaluations. Finally, it addresses current challenges and proposes potential solutions. This review aims to provide valuable insights for developing advanced albumin‐based anticancer drugs with enhanced therapeutic efficacy. Anticancer drug ; Drug delivery ; Pharmacology ; Drug ; Drug carrier ; Albumin ; Human albumin ; Medicine ; Chemistry ; Nanotechnology ; Materials science ; Internal medicine Nanoparticle-Based Drug Delivery ; Protein Interaction Studies and Fluorescence Analysis ; Nanoplatforms for cancer theranostics
Authors: Alexandre Rico | Pascal Le Poul | Julián Rodríguez‐López | Denis Jacquemin | Sylvain Achelle | Sébastien Gauthier
Source: ChemPhotoChem (article, 2025-09-28)
Field: Materials Science — Materials Chemistry

Multistimuli‐Responsive Chromic Properties of Soft Salts Based on Cyclometalated Platinum(II) Complexes: Pyridine‐ vs. Pyrimidine‐Based Ligands We report the synthesis and characterization of four luminescent soft salts ( S1–S4 ), composed of ion‐paired cyclometalated Pt(II) complexes featuring either pyridine‐ or pyrimidine‐based ligands. These compounds were prepared via metathesis reactions between complementary cationic and anionic Pt(II) precursors and were fully characterized by NMR spectroscopy and electrospray ionization high‐resolution mass spectrometry. Their photophysical and chromic properties were investigated, and their excited states were modeled using time‐dependent density functional theory. In DMSO solution, the emission originates from the anionic fragment, with quantum yields reaching up to 0.69. In the solid state, a redshifted emission is observed, attributed to metal–metal‐to‐ligand charge transfer excited states formed between paired complexes. Soft salts bearing a pyrimidine‐based anionic fragment exhibit aggregation‐induced emission, whereas their pyridine‐based analogs show aggregation‐caused quenching in DMSO/water mixtures. Soft salts incorporating pyrimidine‐based ligands display vapochromic and acid‐responsive behavior, with emission shifts or quenching upon exposure to solvent or acid vapors; partial reversibility is achieved through grinding or treatment with ammonia. These results underscore the tunability of photophysical properties through strategic azaheterocyclic ligand design and aggregation control. Cationic polymerization ; Luminescence ; Excited state ; Quenching (fluorescence) ; Emission spectrum ; Ligand (biochemistry) ; Density functional theory ; Electrospray ionization Polyoxometalates: Synthesis and Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Organometallic Complex Synthesis and Catalysis
Authors: Natalia Anna Wójcik | Martyna Cieciórska | Hubert Sacharuk | Martyna Surowy | Katarzyna Grochowska | Jakub Karczewski | Stefania Wolff | Sharafat Ali
Source: The International Journal of Advanced Manufacturing Technology (article, 2025-02-14)
Field: Materials Science — Ceramics and Composites

Laser melting synthesis of Mg and Si3N4-doped soda-lime glass: structure and thermal analysis Abstract Three series of soda-lime glasses doped with varying contents of Mg, Si 3 N 4 , or a combination of both were synthesized using laser melting in less than 3 min. The addition of these dopants resulted in notable changes in the structural and thermal properties of the glass. Both IR and Raman spectra indicated that the silicate network primarily consisted of Q 3 units, with significant amounts of Q 2 and Q 4 units present in most samples. In the Mg-doped series, strong depolymerization was observed, evidenced by an increase in Q 2 units and a decrease in Q 4 units. Conversely, increasing the Si content led to greater polymerization, with Q 2 units being replaced by Q 4 units. The series containing both Mg and Si exhibited features influenced by both elements, showing increases in Q 2 , Q 3 , and Q 4 units. The glass transition temperature ( T g ) increased with the addition of Mg and Si across all series. This increase was attributed to the strong cross-linking effect of Mg-O bonds and the increased polymerization with higher glass-forming ion content. However, a decrease in glass stability was observed, particularly in Mg-containing samples, due to Mg acting as a nucleation agent and promoting crystallization of the silicate structure. In contrast, Si did not introduce new nucleation sites, thus contributing to the structural integrity of the glass network. The findings underscore the potential of laser melting as an effective method for tailoring the properties of glasses. Soda lime ; Soda-lime glass ; Materials science ; Doping ; Laser ; Thermal analysis ; Thermal ; Lime ; Glass recycling ; Glass melting ; Composite material ; Mineralogy ; Metallurgy ; Optoelectronics ; Chemistry ; Optics Glass properties and applications ; Laser Material Processing Techniques ; Luminescence Properties of Advanced Materials
Authors: Carolina A. Marques | Luke C. Rhodes | Weronika Osmolska | Harry Lane | Izidor Benedičič | Masahiro Naritsuka | S. Berge | R. Fittipaldi | Mariateresa Lettieri | A. Vecchione | Peter Wahl
Source: Nature Physics (article, 2025-06-17)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Emergent exchange-driven giant magnetoelastic coupling in a correlated itinerant ferromagnet The interaction between the electronic and structural degrees of freedom is central to several intriguing phenomena observed in condensed-matter physics. In magnetic materials, magnetic interactions couple to lattice degrees of freedom, resulting in magnetoelastic coupling, which is typically small and only detectable in macroscopic samples. Here we demonstrate a giant magnetoelastic coupling in the correlated itinerant ferromagnet Sr<sub>4</sub>Ru<sub>3</sub>O<sub>10</sub>. We establish an effective control of magnetism in the surface layer and utilize it to probe the impact of magnetism on its electronic and structural properties. By using scanning tunnelling microscopy, we reveal subtle changes in the electronic structure dependent on ferromagnetic or antiferromagnetic alignment between the surface and subsurface layers. We further determine the consequences of the exchange force on the relaxation of the surface layer, which exhibits giant magnetostriction. Our results provide a direct measurement of the impact of exchange interactions and correlations on structural details in a quantum material, revealing how electronic correlations result in a strong electron-lattice coupling. Condensed matter physics ; Ferromagnetism ; Magnetism ; Antiferromagnetism ; Physics ; Magnetostriction ; Coupling (piping) ; Electronic structure ; Relaxation (psychology) ; Materials science ; Magnetic field ; Quantum mechanics Magnetic and transport properties of perovskites and related materials ; Advanced Condensed Matter Physics ; Physics of Superconductivity and Magnetism
Authors: Prastuti Upadhyay | Stefano Ippolito | Bita Soltan Mohammadlou | Michael S. Waring | Yury Gogotsi
Source: C – Journal of Carbon Research (article, 2025-02-12)
Field: Materials Science — Materials Chemistry

Nanoparticle Air Filtration Using MXene-Coated Textiles Nanoparticles with aerodynamic diameters of less than 100 nm pose serious problems to human health due to their small size and large surface area. Despite continuous progress in materials science to develop air remediation technologies, efficient nanoparticle filtration has appeared to be challenging. This study showcases the great promise of MXene-coated polyester textiles to efficiently filter nanoparticles, achieving a high efficiency of ~90% within the 15–30 nm range. Using alkaline earth metal ions to assist textile coating drastically improves the filter performance by ca. 25%, with the structure–property relationship thoroughly assessed by electron microscopy and X-ray computed tomography. Such techniques confirm metal ions’ crucial role in obtaining fully coated and impregnated textiles, which increases tortuosity and structural features that boost the ultimate filtration efficiency. Our work provides a novel perspective on using MXene textiles for nanoparticle filtration, presenting a viable alternative to produce high-performance air filters for real-world applications. Filtration (mathematics) ; Air filtration ; Nanoparticle ; Materials science ; Nanotechnology ; Environmental science ; Environmental engineering ; Mathematics ; Indoor air quality MXene and MAX Phase Materials ; Advanced Sensor and Energy Harvesting Materials ; Electromagnetic wave absorption materials
Authors: Aryan Keshri | Prasanna Das | Nayana Devaraj | Sourav Chowdhury | Jayjit Kumar Dey | Sunil Ojha | Pushpendra Gupta | Moritz Hoesch | F. Afaneh | Basanta Roul | Thirumalai Venkatesan | Bivas Saha | Awadhesh Narayan | Manuel Bibès | Sujit Das
Source: Advanced Functional Materials (article, 2025-03-12)
Field: Materials Science — Materials Chemistry

Unlocking Exceptional Negative Valency and Spin Reconstruction in Non‐Collinear Anti‐Ferromagnetic Antiperovskite Mn<sub>3</sub>NiN Film Abstract Antiperovskite manganese nitrides have intriguing magnetic and electronic properties that are not well understood. Just as their perovskite oxide counterparts, they are expected to display properties tunable through epitaxial strain engineering, which has barely been explored yet. Here, three notable contributions are made to the understanding and tuning of these fascinating materials, focusing on Mn 3 NiN. First, combining X‐ray spectroscopy measurements and first‐principles calculations, an unusually large negative oxidation state of Ni 3− is reported. Second, a substantial shift of the antiferromagnetic ordering temperature by 116 K, from 266 to 150 K, is reported by growing Mn 3 NiN films on different substrates. This shift is due to the mixed contributions of ferrimagnetic and antiferromagnetic phases. Third, a plasmonic signature with a high optical extinction coefficient in the infrared to visible range is exhibited, tunable by different substrates. The findings suggest that Mn 3 NiN has significant potential in antiferromagnetic spintronics, and plasmonics, expanding the scope of new materials for electromagnetic field‐controlled plasmonics, piezo spintronics, and multicaloric applications. Antiperovskite ; Spintronics ; Antiferromagnetism ; Materials science ; Ferrimagnetism ; Condensed matter physics ; Ferromagnetism ; Magnetism ; Plasmon ; Valency ; Nanotechnology ; Magnetization ; Optoelectronics ; Nitride ; Magnetic field ; Physics Thermal Expansion and Ionic Conductivity ; Ferroelectric and Piezoelectric Materials ; Advanced Battery Materials and Technologies
Authors: Kristýna Kolouchová | Jana Humajová | Petr Matouš | Nicole Ritter | Lana Van Damme | Mária Hovořáková | Zuzana Pavlíková | Linda Dalecká | Klára Steklíková | J. Zeman | Jan Kučka | Martin Hrubý | Ondřej Groborz | Luděk Šefc | Sandra Van Vlierberghe
Source: Communications Materials (article, 2025-06-03)
Field: Materials Science — Biomaterials

Non-destructive in vivo tracking of gelatin hydrogels for advancing tissue engineering Abstract Photo-crosslinkable gelatin-based hydrogels hold great promise for tissue engineering and regenerative medicine. However, monitoring these hydrogels in vivo remains challenging and limits their further development and clinical translation. Here, we address this limitation by utilizing a gelatin-based hydrogel that incorporates the radiopaque compound 5-acrylamido-2,4,6-triiodoisophthalic acid (AATIPA). In an in vivo study spanning over 400 days, we monitor the degradation kinetics of these hydrogels using computed tomography and ultrasonography. We synthesize three distinct AATIPA-containing hydrogels and implant them subcutaneously into mice. Hydrogels with high crosslink density show minimal degradation, while those with lower crosslinking densities degrade within approximately three months. Histological evaluation reveals that the scaffolds are replaced by adjacent adipose tissue. In vitro, adipose-derived stem cells differentiate into the adipogenic lineage, corroborating the in vivo findings. These results highlight the potential of these hydrogels for adipose tissue engineering by enabling in vivo monitoring and offering tailored degradation profiles. Self-healing hydrogels ; Gelatin ; Tissue engineering ; In vivo ; Biomedical engineering ; Tracking (education) ; Materials science ; Chemistry ; Engineering ; Polymer chemistry ; Biology ; Biochemistry ; Biotechnology ; Psychology Electrospun Nanofibers in Biomedical Applications ; Tissue Engineering and Regenerative Medicine ; 3D Printing in Biomedical Research
Authors: Jyotsna S. Ranbhise | Manish Kumar Singh | Songhyun Ju | Sunhee Han | Hyeong Rok Yun | Sung Soo Kim | Insug Kang
Source: Antioxidants (review, 2025-09-28)
Field: Chemistry — Organic Chemistry

The Redox Paradox: Cancer’s Double-Edged Sword for Malignancy and Therapy Reactive oxygen species (ROS) function as critical signaling molecules in cancer biology, promoting proliferation, angiogenesis, and metastasis at controlled levels while inducing lethal damage when exceeding the cell's buffering capacity. To survive under this state of chronic oxidative stress, cancer cells become dependent on a hyperactive antioxidant shield, primarily orchestrated by the Nrf2, glutathione (GSH), and thioredoxin (Trx) systems. These defenses maintain redox homeostasis and sustain oncogenic signaling, notably through the oxidative inactivation of tumor-suppressor phosphatases, such as PTEN, which drives the PI3K/AKT/mTOR pathway. Targeting this addiction to a rewired redox state has emerged as a compelling therapeutic strategy. Pro-oxidant therapies aim to overwhelm cellular defenses, with agents like high-dose vitamin C and arsenic trioxide (ATO) showing significant tumor-selective toxicity. Inhibiting the master regulator Nrf2 with compounds such as Brusatol or ML385 disrupts the core antioxidant response. Disruption of the GSH system by inhibiting cysteine uptake with sulfasalazine or erastin potently induces ferroptosis, a non-apoptotic cell death driven by lipid peroxidation. Furthermore, the thioredoxin system is targeted by the repurposed drug auranofin, which irreversibly inhibits thioredoxin reductase (TrxR). Extensive preclinical data and ongoing clinical trials support the concept that this reliance on redox adaptation is a cancer-selective vulnerability. Moreover, novel therapeutic strategies, including the expanding field of redox-active metal complexes, such as manganese porphyrins, which strategically leverage the differential redox state of normal versus cancer cells through both pro-oxidant and indirect Nrf2-mediated antioxidative mechanisms (triggered by Keap1 oxidation), with several agents currently in advanced clinical trials, have also been discussed. Essentially, pharmacologically tipping the redox balance beyond the threshold of tolerance offers a rational and powerful approach to eliminate malignant cells, defining a novel frontier for targeted cancer therapy. Thioredoxin ; Auranofin ; Oxidative stress ; Thioredoxin reductase ; Reactive oxygen species ; TXNIP ; Glutathione ; Cancer cell ; Antioxidant Free Radicals and Antioxidants ; Coenzyme Q10 studies and effects ; Genomics, phytochemicals, and oxidative stress
Authors: Nathan A. I. Watson | Mike J. Newland | Beth S. Nelson | Andrew R. Rickard | Joseph M. Beames
Source: Environmental Science Advances (article, 2025-01-01)
Field: Chemistry — Physical and Theoretical Chemistry

Tropospheric alkene ozonolysis chemistry: an extended computational chemistry assessment of structural effects A systematic computational chemistry study of alkene ozonolysis reactions to help design a new structure–activity-based taxonomic framework. Ozonolysis ; Alkene ; Ozonide ; Chemistry ; Cycloaddition ; Computational chemistry ; Ozone ; Organic chemistry ; Photochemistry ; Catalysis Chemical Reactions and Mechanisms ; Atmospheric Ozone and Climate ; Various Chemistry Research Topics
Authors: Thorben Neumann | Thulaseedharan Nair Sailaja Sidharth | Jens Voskuhl | Michael Giese
Source: Journal of Materials Chemistry C (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Aggregation induced emission <i>versus</i> aggregation caused quenching: tuning the emission behaviour of liquid crystalline materials The unique combination of two classes of luminophores, showing either aggregation-induced or aggregation-caused quenching within a liquid crystal yielded a thermo-sensor with a temperature induced emission shift from green to red. Aggregation-induced emission ; Materials science ; Quenching (fluorescence) ; Chemical engineering ; Chemical physics ; Optics ; Fluorescence ; Physics Luminescence and Fluorescent Materials ; Liquid Crystal Research Advancements ; Organic Light-Emitting Diodes Research
Authors: Kelsey Cremin | Gabriel N. Meloni | Orkun S. Soyer | Patrick R. Unwin
Source: ACS Measurement Science Au (article, 2025-01-06)
Field: Chemistry — Electrochemistry

Single-Cell Analysis with Spatiotemporal Control of Local pH This work presents an experimental platform combining scanning ion conductance microscopy (SICM) with confocal laser scanning microscopy (CLSM), using intra- and extracellular pH indicator dyes to study the impact of acid delivery on individual HeLa cells within a population. The proton gradient generated by the SICM delivery is highly confined by the action of the media buffer, making the challenge local. Temporal and spatial aspects of the delivery are modeled by simulations, allowing for pH gradients across individual cells, even within a group, to be calculated. We find a strong dependency between the intracellular pH and the extracellular pH gradient imposed by local acid delivery. Postdelivery intracellular pH recovery depends on the extent of the acid challenge, with cells exposed to lower pH not returning to basal intracellular pH values after the extracellular pH recovers. This is a unique method for concentration-gradient challenge studies of cell populations that will have broad applications in cell biology. SICM can be used to deliver different chemicals and enables a wide range of local conditions to be applied across a cell population, for which the effects can be investigated at the single-cell level. Extracellular ; Intracellular ; Intracellular pH ; Biophysics ; Chemistry ; Population ; Cell ; Confocal microscopy ; Conductance ; Biochemistry ; Cell biology ; Biology Electrochemical Analysis and Applications ; Analytical Chemistry and Sensors ; Molecular Junctions and Nanostructures