jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Indrani Biswas
Source: International Journal for Research in Applied Science and Engineering Technology (article, 2025-05-11)
Field: Chemistry — Analytical Chemistry

Development and Method Validation for the Quantitative Estimation of Diclofenac Sodium Tablet by Spectrophotometric Method Abstract: Spectrophotometric method is used to developed and validated for quantifying and detecting the drug diclofenac sodium. The analytical process development and validation are essential for finding the easiest way to evaluate diclofenac sodium with maintain the safety, quality and effectiveness of pharmaceutical products. Ultra Violet (UV) spectroscopy is commonly used for substance analysis in the pharmaceutical industry due to its ability to deliver quick and accurate results. The technique measures the absorption of the ultra violet light, typically between 200-400 nm, making it effective for analyzing compounds based on their UV absorption characteristics. To meet regulatory requirements, the method must be validated for parameters such as specificity, precision, accuracy, reproducibility, limit of determination (LOD), and limit of quantification (LOQ) This ensures that the technique provides reliable and consistent measurements of active pharmaceutical ingredients and excipients, following established guidelines for optimal performance and quality control. This method follows the BeerLambert's Law. Accuracy of the drug was about the acceptance criteria as per the ICH guidelines.48 Diclofenac Sodium ; Chromatography ; Diclofenac ; Computer science ; Chemistry ; Biochemistry Analytical Methods in Pharmaceuticals ; Inflammatory mediators and NSAID effects
Authors: Kuo Zhang | Zuohu Zhou | Zi‐Han Song | Xuehong Diao | Qiang Zhang | Jinli Zhang | Hao Zhang | Jing‐Jing Pang | Hongliang Huang | Jiandong Pang | Jian Xu | Xian‐He Bu
Source: Angewandte Chemie International Edition (article, 2025-12-02)
Field: Chemistry — Inorganic Chemistry

Reticular Chemistry‐Guided Topology Engineering of Pillar‐Layer Metal−Organic Frameworks for Boosting SF <sub>6</sub> /N <sub>2</sub> Separation Pillar-layered metal-organic frameworks (MOFs) hold high promise in the field of gas adsorption and separation. Capitalizing on reticular chemistry and topology-guided pore engineering, we herein present a rare non-interpenetrated MOF based on the pillaring of hxl layer, comprised of hexanuclear Ni<sub>6</sub> clusters bridged by mixed O- and N-donor linkers. Notably, it features uniform triangular channels with optimal ultramicropore size and positive surface potential, constituting a molecular trap for SF<sub>6</sub>. By leveraging such pore characteristics, a commendable low-pressure adsorption capacity and selectivity for SF<sub>6</sub> over N<sub>2</sub> is achieved, significantly superior to the counterparts of pillared sql- and kgm-MOFs and on par with some leading adsorbents. A joint theoretical and crystallographic study reveals the superiority of topology-directed pore regulation on SF<sub>6</sub> adsorption. Breakthrough experiments demonstrate that this MOF is capable of recovering high-purity (>99.9%) SF<sub>6</sub> from binary SF<sub>6</sub>/N<sub>2</sub> mixture (10/90, v/v) at ambient conditions, attaining a record-high productivity in a single adsorption-desorption cycle. Moreover, excellent stability and scalable synthesis with low costs confer it with a great application prospect. Boosting (machine learning) ; Reticular connective tissue ; Adsorption ; Scalability ; Topology (electrical circuits) ; Binary number ; Selectivity ; Stability (learning theory) Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Mesoporous Materials and Catalysis
Authors: Walter Cañón‐Mancisidor | Valentina Muñoz | Patricio Hermosilla‐Ibáñez | Diego Venegas‐Yazigi | Boris Le Guennic | Fabrice Pointillart | Olivier Cador
Source: European Journal of Inorganic Chemistry (article, 2025-07-15)
Field: Materials Science — Materials Chemistry

Polyoxometalate‐Based Lanthanide Complexes: Insights into the Design and Structural Control Based on Multivariate Analysis Two novel lanthanide‐based complexes, [NBu 4 ] 3 [YbH(PW 11 O 39 )(phen) 2 ]·H 2 O ( LM 4 –UBO–1–Yb ) and K 13 [Dy(SiW 11 O 39 ) 2 ]·21H 2 O ( LM 4 –UBO–2–Dy ), are synthesized and characterized to explore how Keggin monolacunary polyoxometalates (KMLPOMs) affect Ln III geometry. SHAPE analysis shows both complexes adopt square antiprismatic (SAPR) geometries with pseudo‐D4d symmetry. LM 4 –UBO–1–Yb has a slightly distorted SAPR geometry, with a displacement parameter ( D ) of 1.068 Å, influenced by organic ligands, while LM 4 –UBO–2–Dy is more rigid ( D = 1.298 Å). A structural multivariate analysis of 185 KMLPOM‐based Ln III complexes identifies four main types: mononuclear inorganic, mononuclear hybrid, dinuclear hybrid, and dinuclear inorganic. Structural trends reveal that [BW 11 O 39 ] 9− and [PW 11 O 39 ] 7− prefer SAPR geometries, while [GeW 11 O 39 ] 8− and [SiW 11 O 39 ] 8− favor bicapped trigonal prism (BTPR) geometries. D values below ≈1.10 Å are linked to BTPR geometries, while higher values align with SAPR geometries. This study highlights the heteroatom's ionic radius as a key factor in determining geometry and offers predictive guidelines for designing Ln III ‐KMLPOM systems. Chemistry ; Polyoxometalate ; Lanthanide ; Multivariate statistics ; Multivariate analysis ; Organic chemistry ; Catalysis ; Ion Polyoxometalates: Synthesis and Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Lanthanide and Transition Metal Complexes
Authors: Daisuke Ino | Yasuhiro Hashimoto
Source: ChemRxiv (preprint, 2025-07-09)
Field: Chemistry — Organic Chemistry

Optically benign photocatalysts based on TiO2 films for selective vanillin synthesis To suppress undesired photolysis in photocatalytic organic transformations, we investigated a class of optically benign TiO₂ photocatalysts, prepared by a sol–gel method and operated under substrate-side UV irradiation. Using the partial oxidation of 4-vinylguaiacol (4-VG) to vanillin as a representative reaction, we demonstrated a notable enhancement in selectivity, reaching S = 35%. The optimum film thickness for selectivity was determined to be 8.83 μm, approximately 1.8 times greater than that corresponding to the maximum reaction rate (4.96 μm). These results suggest a spatial decoupling of the interior surface, where the oxidative reaction occurs, from the bulk responsible for UV absorption, thereby suppressing undesired photolysis and enhancing selectivity . This film-based design improves reaction selectivity and offers a structurally scalable platform for organic synthesis. Vanillin ; Photocatalysis ; Materials science ; Chemical engineering ; Nanotechnology ; Business ; Chemistry ; Organic chemistry ; Catalysis ; Engineering Chemical Synthesis and Reactions
Authors: Bhaskar K. Nikam | Vilas B. Jadhav | Mahendra S. Borse
Source: Journal of Science and Technology (article, 2025-04-08)
Field: Chemistry — Organic Chemistry

“Analysing the Energetics of Phase Separation in Non-Ionic Surfactant Brij-30: Investigating the Influence of Head Group Gathering”. The main motto of this paper was to study how the hydrophilic surfactant head groupgathering affects the phase behavior of a 22% alcoholic solution of a non-ionic surfactant,Polyoxyethylene (4) lauryl ether (Brij-30) and hydroxyl amine mixtures at different concentrations.Our conclusions show that the hydrophilic part of the surfactant suppresses the system'spropensity to undergo phase separation, an increased sensitivity due to the presence of hydroxylamines. The CP decreases with an increasing concentration of mono, di, and Triethanolamine in a22% alcoholic solution of Brij 30 surfactant. CP increases with concentration in methylethanolamine while decreases in diethanolamine with concentration the same trend is observed inthe case of methyl diethanolamine and triethanolamine. Generally, ethanolic groups exhibit anincrease in Cloud Point (CP) with increased alkyl branching. The amines in ethanolamine showvariation in CP by integrating into the head region with proton-rich amine groups at the micelleinterface. By utilizing the traditional thermodynamic model for phase separation, we assessed thevarious corresponding energy parameters.Amongst all instances, we found that all the parameters fluctuated based on non-ionicsurfactant type, its micellar concentration, and the involvement of hydroxyl amine in the aqueousmedium. All the experimental findings are consistent because phase separation occurs due todecreased hydration of the surfactant head group induced by elevated temperature. Pulmonary surfactant ; Energetics ; Head (geology) ; Group (periodic table) ; Ionic bonding ; Materials science ; Phase (matter) ; Chemistry ; Chemical engineering ; Thermodynamics ; Physics ; Engineering ; Organic chemistry ; Ion ; Geology Surfactants and Colloidal Systems ; Electrostatics and Colloid Interactions ; Enhanced Oil Recovery Techniques
Authors: Salona Roy | Daniel Alday | Qi Cai
Source: International Journal of Nanomedicine (article, 2025-12-01)
Field: Materials Science — Biomaterials

Advances in PLGA-Based Drug Delivery Systems for Glioblastoma Treatment Glioblastoma (GBM) is the most aggressive primary brain tumor, with median survival rates remaining dismally low despite standard-of-care therapies including maximal resection, radiation, and chemotherapy. A significant challenge in GBM therapy is the inability of conventional drugs to achieve therapeutic concentrations in the tumor due to the restrictive nature of the blood-brain barrier (BBB) and the complex tumor microenvironment (TME), which includes high interstitial pressure, abnormal vasculature, and dense extracellular matrix that together hinder drug penetration and distribution. Nanoparticle-based drug delivery systems have emerged as promising tools to circumvent the BBB and enhance drug delivery for GBM treatment. Among these, poly(lactic-co-glycolic acid) (PLGA) formulations stand out as one of the most widely used biodegradable carriers, which have been approved by the FDA for drug delivery applications. This review provides a comprehensive evaluation of the challenges and opportunities arising from the GBM microenvironment and their implications for the development of PLGA nanoparticle-based drug delivery systems. We compare commonly used PLGA nanoparticle synthesis techniques and analyze key GBM characteristics that impede drug transport, highlighting how tumor microenvironmental constraints govern nanoparticle engineering and delivery efficiency. We further evaluate the integration of multimodal therapies that affect both therapeutic delivery and outcomes. Critically, we identify persistent translational bottlenecks and outline specific research and engineering solutions to bridge preclinical efficacy and clinical translation. By integrating current evidence through a translational perspective, this review offers researchers and clinicians a strategic roadmap to guide future efforts toward more rational nanoparticle design and successful clinical translation for GBM therapy. Glioblastoma ; Drug delivery ; Drug ; Targeted drug delivery ; Tumor microenvironment ; Nanomedicine ; Brain tumor ; Translational research Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Advanced Drug Delivery Systems
Authors: Alexander Karr | Hye Joon Lee | A. Talim G. K | Chloe A. Ramsperger | Cesar A. Reyes | Kelly Biv | Elias Picazo
Source: Chemical Science (article, 2025-12-12)
Field: Materials Science — Materials Chemistry

Sulfonyl-tuned amino DASAs for targeted photophysical and photoswitching control Donor-acceptor Stenhouse adducts (DASAs) are molecular photoswitches with applications spanning materials to molecular machines. Although structural modularity has enabled seminal DASA studies, sulfonyl substituents in amino DASAs remain unexplored. Evaluation of sulfonyl substituents reveals a distinct photoswitching pathway between acyclic isomers about the C<sub>3</sub>-C<sub>4</sub> bond, as evidenced by UV-vis spectroscopy and low-temperature NMR spectroscopy. This discovery was achieved by significantly improving DASA structural stability under irradiation, which in turn enables the creation of a compound that sets the record for amino DASA isomer distribution at the photostationary state. Thermal reversion is rapid with little to no fatigue in dichloromethane and solvent versatility is demonstrated with photoswitching and full recovery in toluene, albeit with slower thermal recovery rates. Sulfonyl substituents are also found to modulate molar absorption coefficients and structural charge distribution in a manner that broadly follows Hammett substituent constants with modest correlations, thereby providing qualitative guidance for molecular design. These findings enable the greater DASA photoswitch class to selectively access multiple isomers through structural design, offering opportunities for further developments in responsive materials, soft robotics, and selective reactivity. Photoswitch ; Sulfonyl ; Substituent ; Photochromism ; Thermal stability ; Structural isomer ; Adduct ; Molecular dynamics ; Steric effects Photochromic and Fluorescence Chemistry ; Supramolecular Chemistry and Complexes ; Photoreceptor and optogenetics research
Authors: Graeme J. Ackland | Andreas Hermann | Kazuki Komatsu | K. Yamashita | J. S. Loveday
Source: ArXiv.org (preprint, 2025-04-08)
Field: Materials Science — Materials Chemistry

The distinction between Ice phases VII, VIII and X Ice phases VII, VIII and X are all based on a body-centered cubic arrangement of molecules, the differences coming from molecular orientation. There is some debate as to whether these should even be considered distinct phases. The standard definition of a transition between distinct phases involves a discontinuity in any derivative of the free energy. This can be hard to prove experimentally, and most previous theoretical works have been based on models which either have continuously differentiable free energies, or no straightforward way to determine the free energy. Here we build a free energy model based on the common definitions of the phases ; ordered ice-VIII, orientationally disordered ice VII and proton-disordered ice X. All transitions in this model might or might not be associated with a discontinuity in the specific heat, depending on paramaterization. By comparing with data, we find that a VII-X transition line exists, but it ends in a critical point hidden within the stability field of phase VIII. If the model is correct, there is a discontinuity between VII and X, so they are separate phases. We propose that the hidden phase boundary might be demonstrated experimentally by compression of supercooled ice VII. Discontinuity (linguistics) ; Supercooling ; Boundary (topology) ; Phase transition ; Phase (matter) ; Point (geometry) ; Stability (learning theory) Material Dynamics and Properties ; nanoparticles nucleation surface interactions ; High-pressure geophysics and materials
Authors: Mingyue Wu
Source: Theoretical and Natural Science (article, 2025-08-06)
Field: Materials Science — Materials Chemistry

Biodegradable Metal Stents for Cardiovascular Diseases: Inflammation Modulation and Functional Optimization Cardiovascular diseases (CVDs) persist as the foremost global cause of morbidity and mortality, pushing the advancement of vascular implants designed to reestablish perfusion ability and promote vessel repair. However, conventional permanent stents often lead to long-term complications such as chronic inflammation, late thrombosis, and impaired vascular remodeling due to their persistent presence. Initial approaches applied pure biodegradable metals for stent fabrication; however, rapid corrosion, inadequate mechanical integrity, and slow degradation frequently constrained their clinical applicability. To address these limitations, biodegradable metal stents (BMSs) have emerged as next-generation alternatives, providing transient mechanical support that resorbs progressively upon fulfilling their therapeutic role, thereby reducing chronic body responses. Alloys based on magnesium, zinc, and iron have garnered significant interest owing to their unique corrosion kinetics, mechanical properties, and biocompatibility. This review outlines recent progress in BMS development, highlighting major strategies for performance enhancementincluding compositional design to tailor intrinsic material behavior, microstructural engineering to optimize strength and ductility, surface modification to improve biocompatibility, and multifunctional interfaces to enable controlled degradation and biological modulation. By integrating material science and biomedical perspectives, this review aims to provide insights into current challenges and future directions for the clinical translation of BMSs. Inflammation ; Modulation (music) ; Medicine ; Internal medicine ; Physics Corrosion Behavior and Inhibition ; Coronary Interventions and Diagnostics ; Electron and X-Ray Spectroscopy Techniques
Authors: Rufus O. Ijeh | Imosobomeh L. Ikhioya
Source: Journal of applied science and environmental management (article, 2025-11-16)
Field: Materials Science — Materials Chemistry

Characterization of the Properties of Deposited Materials on the Impact of Niobium Doping on Photovoltaic Conversion Efficiency of Lead Telluride The unique combination of optical and electronic properties in PbTe, including its infrared light absorption and capacity for high multiple exciton generation, makes it a very promising material for photovoltaic applications. Electrochemical synthesis of lead telluride (PbTe) occurs via chemical reaction within an electrochemical cell. Doping increases power conversion efficiency from 5.5% (PbTe) to 6.8% (Nb0.03PbTe), showing that better charge collection and less recombination at optimal doping levels improve efficiency. Nb0.03PbTe shows the highest efficiency, highlighting the advantages of controlled doping. Niobium doping improves PbTe photovoltaic properties. The increase in 2θ values reflects a rise in niobium doping, resulting in a modified crystal structure. A shift in the (100) peak is observed, from 14.60° in PbTe to 14.80° in Nb0.03PbTe. The shift results from doping-induced changes in interatomic distances, affecting the overall lattice structure. The 1.23 eV bandgap energy of PbTe makes it suitable for photovoltaic applications. The addition of niobium to Nb0.01PbTe resulted in a slight 1.41 eV rise in its bandgap energy, this being a consequence of changes to its electronic structure. The bandgap energy of Nb0.02PbTe is reduced to 1.21 eV, suggesting that the doping concentration influences the material's electronic properties, potentially through a rise in defect states. With highest bandgap energy of 1.50 eV among its variants, Nb0.03PbTe is better suited to certain optoelectronic applications because of its reduced carrier concentration and enhanced photovoltaic performance. Band gap ; Doping ; Niobium ; Photovoltaic system ; Lead telluride ; Energy conversion efficiency ; Charge carrier ; Exciton 2D Materials and Applications ; Chalcogenide Semiconductor Thin Films ; Advanced Thermoelectric Materials and Devices
Authors: Xiangting Hu | Y. Lawrence Yao | Feng Yan | Jiahao Pan | Zhenda Lu
Source: Nanomaterials (article, 2025-11-25)
Field: Materials Science — Materials Chemistry

Large-Scale Production of Silver Nanoplates via Ultrasonic-Assisted Continuous-Flow Synthesis Silver nanoplates hold significant promise for advanced electronic materials, especially in low-temperature conductive silver pastes crucial for next-generation solar cells. However, their widespread practical application, like many nanomaterials, is currently limited by insufficient production capacity and inconsistent quality inherent in conventional batch synthesis methods. To overcome these critical challenges, we developed a novel ultrasound-assisted continuous-flow synthesis method for the scalable and high-yield production of silver nanoplates. This innovative approach effectively addresses common issues such as nanoparticle deposition and pipeline clogging by leveraging ultrasonic cavitation for enhanced mixing and stable flow. Through systematic optimization of synthetic parameters-including temperature, flow rate, and seed concentration-our continuous-flow reactor achieved mass production of pure silver nanoplates at a rate of 3.8 g/h. This scaled-up system is capable of producing hundreds of grams per day. The as-prepared nanoplates demonstrate excellent electrical performance, highlighting the method's potential for industrial-scale manufacturing and significantly advancing the development of high-efficiency electronic devices. Electrical conductor ; Clogging ; Mixing (physics) ; Deposition (geology) ; Silver nanoparticle ; Electroless deposition ; Production (economics) ; Pipeline (software) Ultrasound and Cavitation Phenomena ; Nanomaterials and Printing Technologies ; Innovative Microfluidic and Catalytic Techniques Innovation
Authors: Jesper Dahl Jensen | Shayan Louie | Yan‐Mei He | Junsheng Chen | Colin Nuckolls | Bo W. Laursen
Source: Chemical Science (article, 2025-01-01)
Field: Chemistry — Physical and Theoretical Chemistry

Reversible excited state electron transfer in an acceptor–acceptor hetero dyad In this manuscript, we create a new hetero dyad consisting of two electron acceptors with nearly isoenergetic HOMO and LUMO levels, namely perylene diimide (PDI) and aza dioxa triangulenium (ADOTA). This dyad system displays an unusual and reversible excited state electron transfer process. Upon excitation, the dyad shows complete energy transfer from the locally excited PDI to the ADOTA moiety in ∼1 ps, followed by photoinduced electron transfer (PET), forming oxidized PDI and reduced ADOTA. While this PET process is fast (<i>k</i> <sub>PET</sub>≈ 150 ps), the reversibility establishes an equilibrium between fluorescent locally excited ADOTA and the dark charge shifted PET state. We investigate the formation of and decay from this unusual reversible excited state electron transfer system by fs transient absorption and time-resolved fluorescence spectroscopy in different solvent mixtures because the solvent modulates the deactivation rate of the PET state. Electrochemistry confirms that both the local HOMOs and LUMOs of PDI and ADOTA are nearly isoenergetic but can be shifted by solvent polarity, which elucidates the reason for the unusual reversible electron transfer process and its sensitivity to the solvent. We further investigate near degeneracy of the LUMOs through spectroscopy of the chemically reduced dyad. We find that there is an equilibrium between the reduction of the cationic ADOTA to a neutral dyad, which is favored in DCM. However, in DMF, we find reduction of the PDI leads to formation of the zwitterionic dyad. Dyad ; Acceptor ; Excited state ; Electron transfer ; State (computer science) ; Electron acceptor ; Chemistry ; Photochemistry ; Computer science ; Physics ; Atomic physics ; Condensed matter physics Photochemistry and Electron Transfer Studies ; Molecular Junctions and Nanostructures ; Spectroscopy and Quantum Chemical Studies