jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Marco Schmidt | Haseeb Hakkim | Lukas Anders | Aleksandrs Kalamašņikovs | Thomas Kröger-Badge | Robert Irsig | Norbert Graf | Reinhard Kelnberger | Johannes Passig | Ralf Zimmermann
Source: Atmospheric measurement techniques (article, 2025-06-05)
Field: Chemistry — Spectroscopy

A solid-state infrared laser for two-step desorption–ionization processes in single-particle mass spectrometry Abstract. Recent advancements in single-particle mass spectrometry (SPMS) have enabled the detection of aromatic hydrocarbons at the individual particle level in conjunction with inorganic/refractory particle components. However, the laser desorption (LD) of organic material from particles prior to their ionization in a two-step process necessitates pulsed infrared lasers with adequate pulse energy that can be irregularly triggered on detected particles. Pulsed CO2 lasers with a 10.6 µm wavelength have been traditionally utilized, yet these lasers are bulky and costly and require regular maintenance, including gas exchange or a continuous laser gas supply. In this study, we present the application of a prototype solid-state laser based on an erbium-doped yttrium aluminum garnet (Er:YAG) crystal, emitting long pulses of 200 µs at 3 µm wavelength as a compact, cost-effective, and user-friendly alternative for LD. We directly compared the new laser with a commonly used CO2 laser and found similar performance in LD for both laboratory particles and ambient air experiments. With the exception of slightly increased fragmentation observed with the CO2 laser due to its beam profile, no qualitative differences were noted in the resulting mass spectra. Additionally, we compared a novel two-step ionization (LD-REMPI–LDI) with the conventional single-step LDI regarding the potential to detect polycyclic aromatic hydrocarbons (PAHs) and inorganics in laboratory and field experiments. The combined methods demonstrated superior performance in the detection of PAHs, for both the CO2 and the new Er:YAG laser. In addition to its higher sensitivity and lower fragmentation for PAHs when compared to single-step LDI, it is less dependent on the particle matrix, sharing the benefits of traditional two-step methods but extending its capability to combine PAH measurements with the LDI-based detection of inorganic particle compounds. Mass spectrometry ; Ionization ; Infrared ; Particle (ecology) ; Laser ; Atmospheric-pressure laser ionization ; Chemistry ; Desorption ; Solid-state ; Analytical Chemistry (journal) ; Atomic physics ; Photoionization ; Physics ; Environmental chemistry ; Optics ; Ion ; Physical chemistry ; Chromatography ; Adsorption Mass Spectrometry Techniques and Applications ; Atmospheric chemistry and aerosols ; Advanced Chemical Physics Studies
Authors: Xue Min Xing | Chengzhong Liu | Junying Han | Quan Feng | Enfang Qi | Yu Qu | Boran Ma
Source: Agriculture (article, 2025-01-02)
Field: Chemistry — Analytical Chemistry

Potato Plant Variety Identification Study Based on Improved Swin Transformer Potato is one of the most important food crops in the world and occupies a crucial position in China’s agricultural development. Due to the large number of potato varieties and the phenomenon of variety mixing, the development of the potato industry is seriously affected. Therefore, accurate identification of potato varieties is a key link to promote the development of the potato industry. Deep learning technology is used to identify potato varieties with good accuracy, but there are relatively few related studies. Thus, this paper introduces an enhanced Swin Transformer classification model named MSR-SwinT (Multi-scale residual Swin Transformer). The model employs a multi-scale feature fusion module in place of patch partitioning and linear embedding. This approach effectively extracts features of various scales and enhances the model’s feature extraction capability. Additionally, the residual learning strategy is integrated into the Swin Transformer block, effectively addressing the issue of gradient disappearance and enabling the model to capture complex features more effectively. The model can better capture complex features. The enhanced MSR-SwinT model is validated using the potato plant dataset, demonstrating strong performance in potato plant image recognition with an accuracy of 94.64%. This represents an improvement of 3.02 percentage points compared to the original Swin Transformer model. Experimental evidence shows that the improved model performs better and generalizes better, providing a more effective solution for potato variety identification. Residual ; Transformer ; Computer science ; Artificial intelligence ; Embedding ; Machine learning ; Pattern recognition (psychology) ; Engineering ; Algorithm Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies ; Smart Agriculture and AI
Authors: Benti Firdissa | Sileshi Degefa | Eyobel Mulugeta | Dingane Sithole
Source: Discover Civil Engineering (article, 2025-02-11)
Field: Materials Science — Biomaterials

Enhancing cement mechanical properties with cellulose nanocrystals as supplementary cementitious materials Cement production is a major contributor to global CO₂ emissions, responsible for approximately 5–10% of total emissions, with the challenges being even more pronounced in developing nations like Ethiopia. This study investigates the potential of cellulose nanocrystals (CNCs), derived from sugarcane bagasse, as supplementary cementitious materials (SCMs) to improve the mechanical properties and sustainability of concrete. CNCs were incorporated into Ordinary Portland Cement (OPC) at varying percentages (5%, 10%, and 15%), and their effects on consistency, setting times, compressive strength, and unit weight were analyzed. Results reveal that CNCs enhance the hydration process, delay setting times within acceptable standards, and significantly improve compressive strength at optimal replacement levels. The study highlights a 10% CNC incorporation as the optimal mix, achieving a compressive strength of 42.4 MPa, representing a 13.9% improvement compared to the control mix (37.2 MPa). These findings demonstrate CNCs’ potential to enhance concrete performance while reducing the environmental footprint of cement production, offering a sustainable pathway for Ethiopia's construction industry. Cementitious ; Cement ; Materials science ; Cellulose ; Nanocrystal ; Composite material ; Chemical engineering ; Nanotechnology Advanced Cellulose Research Studies ; Innovations in Concrete and Construction Materials ; Natural Fiber Reinforced Composites
Authors: Viktória Goldschmidt Gőz | Imre Jákli | István Varga | Zsolt Dürvanger | Veronika Harmat | István Pintér | Gitta Schlosser | András Perczel
Source: Chemistry - Methods (article, 2025-07-23)
Field: Chemistry — Spectroscopy

Can Conformers Be Identified <i>via</i> Cyclic Ion Mobility Mass Spectrometry? Hexosamine Epimers Reveal Ultrastable Ring Structures Rapid and accurate characterization of carbohydrate ring conformers in oligosaccharides, glycoproteins, foldamers, and other sugar‐containing molecules remains a challenge. Here, a state‐of‐the‐art, fine‐tuned cyclic ion mobility mass spectrometry (cIM‐MS) method is presented to examine and separate ring conformers of sugar moieties at the μg‐ng scale without purification. We compared ring structures obtained from X‐ray crystallography (solid phase), nuclear magnetic resonance spectroscopy (NMR) (solution phase), and cIM‐MS (gas phase) to assign conformational motifs. We performed detailed gas‐phase conformational calculations, along with experimental and theoretical collisional cross‐section ( CCS ) measurements using various software tools, to identify the most accurate prediction method for carbohydrates. Our analysis revealed that the current CCS calculation tools require further refinement for reliable application to sugars. Thus, the combination of experimental and theoretical methods holds strong potential for confident sugar conformation assignment in the future. Ion-mobility spectrometry ; Epimer ; Mass spectrometry ; Ring (chemistry) ; Conformational isomerism ; Chemistry ; Ion ; Ion-mobility spectrometry–mass spectrometry ; Stereochemistry ; Chromatography ; Selected reaction monitoring ; Tandem mass spectrometry ; Organic chemistry ; Molecule Mass Spectrometry Techniques and Applications ; Analytical Chemistry and Chromatography ; Chemical Synthesis and Analysis
Authors: Lucia Youssef | Jenaes Sivasundarampillai | Emily N. P. Prowse | E. Deniz Eren | Franziska Jehle | Christopher J. Thibodeaux | Adam G. Hendricks | Daniel J. Jackson | Matthew J. Harrington
Source: Nature Communications (article, 2025-10-28)
Field: Materials Science — Surfaces, Coatings and Films

A dynamic biointerface in mussels mediated by a mechanoresponsive intermediate filament-based biopolymer Mussels fabricate a distinctive biointerface that bridges their non-living biopolymeric byssus (used for anchoring in seashore habitats) with their soft-living tissue. Occurring in a region known as the byssus stem root, this biointerface is at once strong, yet also capable of on-demand release under apparent neurobiological control by the mussel, but this is not well understood. Here, we identify and sequence a previously unknown intermediate filament protein (MSP-1) that based on immunohistochemical staining and spectroscopic mapping comprises the surface of the stem root in direct contact with billions of motile cilia emerging from the living tissue. Further structural analysis indicates that MSP-1 is secreted as an α-helical coiled-coil but is mechanically converted subsequently to a β-sheet conformation. We posit that this mechanoresponsive conversion has a mechanical function in toughening the interface, but possibly also as a mechanosensory mechanism given its intimate contact with cilia in the living tissue. Biointerface ; Byssus ; Biopolymer ; Cilium ; Mussel ; Biomineralization Polymer Surface Interaction Studies ; Calcium Carbonate Crystallization and Inhibition ; Micro and Nano Robotics
Authors: Rui Ye | Yupei Zhang | Xiangyu Jiao | Wan Xu | Yan Chen | Nai Li | Qiao Guo | Junyu Wang | Zhihe Zhao | Shenbin Liu | Shugang Qin
Source: Nano Research (article, 2025-07-25)
Field: Materials Science — Biomaterials

Functional nanomaterial strategies for targeted CNS drug delivery Effective therapeutic intervention for central nervous system (CNS) diseases, including brain tumors and neurodegenerative disorders, is significantly challenged by the formidable blood-brain barrier (BBB). This biological barrier severely restricts the passage of most drug candidates, resulting in inefficient delivery to pathological sites and substantially contributing to high clinical trial failure rates for CNS therapies. Engineered nanoparticles have emerged as promising functional material systems capable of navigating these delivery obstacles, offering advantages like encapsulating diverse agents, controlled release, and targeted delivery. This review comprehensively analyzes innovative nanoparticle strategies specifically designed to overcome the BBB and achieve precise CNS delivery via systemic administration. We highlight the critical multi-step biological cascade required for successful therapeutic outcomes: maintaining colloidal stability in circulation, efficiently penetrating the BBB, achieving specific accumulation at the disease site, and effectively engaging target cells. Despite significant advancements, clinical translation of these nanoparticle systems remains limited. A thorough understanding of this multi-step process is paramount to accelerating the clinical application of brain-targeted nanomedicines. Drug delivery ; Nanotechnology ; Drug ; Targeted drug delivery ; Nanomaterials ; Business ; Medicine ; Pharmacology ; Materials science Nanoparticle-Based Drug Delivery ; Supramolecular Self-Assembly in Materials ; Graphene and Nanomaterials Applications
Authors: Tongcang Li | Ren‐Bao Liu | Chong Zu
Source: Advanced Quantum Technologies (article, 2025-04-01)
Field: Materials Science — Materials Chemistry

Quantum Sensing The authors declare no conflict of interest. Quantum ; Physics ; Computer science ; Environmental science ; Quantum mechanics Diamond and Carbon-based Materials Research ; Mechanical and Optical Resonators ; Atomic and Subatomic Physics Research
Authors: Baiwen Du | Dengyun Li | Kai Zhu | Changxi Yue | Jia Xie | Ran Gao
Source: Polymers (article, 2025-11-27)
Field: Materials Science — Polymers and Plastics

Study on the Influence Law of Dispersant on the Resistance Value of MWCNTs/PANI Epoxy Semiconducting Coatings Under the action of strong DC electric field, the resistance of the insulating cylinder of high-voltage DC voltage divider shows a nonlinear decrease with the increase in electric field strength, which leads to the decrease in measurement accuracy. It is shown that the effect can be suppressed to a certain extent by applying a semi-conductive coating on the surface of the insulating outer barrel. However, due to the inherent properties of the conductive nano-fillers, it is difficult to achieve uniform dispersion in the polymer matrix, which limits the electric field modulation ability of the coating and makes it difficult to fundamentally solve the nonlinear effect of the insulating outer barrel resistance. In this study, based on the multi-walled carbon nanotubes/polyaniline (MWCNTs/PANI) epoxy semiconducting coating system, the effects of dispersant type and dosage on the variation in the coating equivalent resistance with voltage were investigated. The semiconducting coatings with different dispersion states of conductive fillers were prepared by regulating the types and amounts of alkyl ammonium salt dispersants, polymer urethane dispersants, and low molecular weight unsaturated polycarboxylic acid polymer dispersants, and analyzed in combination with the equivalent resistance test, SEM microscopic morphology characterization, and coating adhesion test. The results show that the dispersion of the conductive filler has a significant effect on the suppression of the resistance nonlinear effect, and the polymer polyurethane dispersant can make the filler uniformly dispersed by virtue of the strong spatial site resistance, and the equivalent resistance change rate is lower than 28% under the additive amount of 0.5-1.5%, which has an excellent suppression of the nonlinear effect of the insulation resistance, and the adhesion of the coating is significantly improved to grade 0. The study provides theoretical basis and experimental support for the optimization of the preparation process of high-performance MWCNTs/PANI semiconducting coatings, which can help to improve the measurement accuracy and operational stability of high-voltage DC voltage dividers. Dispersant ; Coating ; Epoxy ; Dispersion (optics) ; Polymer ; Electric field ; Electrical conductor ; Conductive polymer Conducting polymers and applications ; Carbon Nanotubes in Composites ; Advanced Sensor and Energy Harvesting Materials
Authors: Anna Hruzíková | Aleš Růžička | Eliška Procházková
Source: Chemistry - Methods (article, 2025-09-10)
Field: Materials Science — Materials Chemistry

How to (not) Evaluate a Photoswitch Performance; Benchmarking of Methods Used for Processing Kinetic Data on an Example of Arylazopyrazole Z‐Isomer Half‐Life Photoswitchable molecular systems are nowadays very popular and promising for development of molecular electronics in the future. Their physico‐chemical properties, such as activation wavelength, quantum yields, or stability of metastable forms are usually compared with the already published data, with the aim to demonstrate their improvement. An investigation of chemical kinetics is not always straightforward and requests careful data analysis and their processing. Importantly, stability of metastable forms is quantified by half‐life values τ 1/2 , which can be determined in several ways, leading to incomparable results. In this comparative study, it is demonstrated that processing the same data set by different approaches used in literature leads to a wide range of the half‐life values. As model compounds, we prepared azopyrazole derivatives 1 and 2 with the most stable Z isomers published ( τ 1/2 46 years and 1000 days at room temperature, respectively). Depending on the processing method the half‐life values of 1 in a range of 41.9–57.4 years were determined, with 16% of deviation. And for 2 in a range of 492–826 days (25% deviation). The results let us recommend a comprehensive methodology of how to process and evaluate the kinetic data with the aim of producing comparable results among laboratories all over the world. Stability (learning theory) ; Range (aeronautics) ; Metastability ; Set (abstract data type) ; Process (computing) ; Kinetic energy ; Data processing ; Photoswitch Photochromic and Fluorescence Chemistry ; Photoreceptor and optogenetics research ; Synthesis of Indole Derivatives
Authors: Jian Jiang | Gang Wang | Hao Wang | Yu Zhao | Ao Han | Boyu Dai | Rujie He | Xuelong Cao
Source: International Journal of Applied Ceramic Technology (article, 2025-01-20)
Field: Materials Science — Ceramics and Composites

Negative thermal expansion of LiAlSiO <sub>4</sub> interlayer with AgCuTi filler for brazing SiC joints Abstract In order to relieve the residual stresses generated in SiC joints during brazing, LiAlSiO 4 ‐reinforced AgCuTi/Cu‐foam composite interlayer was prepared. The typical interfacial structure of SiC joints was SiC/TiC/Ti 5 Si 3 + Cu 4 Ti 3 + CuTi + LiAlSiO 4 + Cu (s, s) + Ag (s, s)/TiC/Ti 5 Si 3 /SiC. The effects of different process parameters and LiAlSiO 4 additions on the microstructure and shear strength of the joints were investigated. The maximum shear strength of SiC was 118.7 MPa at 890°C for 10 min with LiAlSiO 4 addition of 1 wt%, which is 94.5 MPa higher than that of SiC joints without LiAlSiO 4 . In addition, the theoretical calculations effectively proved that the addition of LiAlSiO 4 can relieve the residual stresses in the joints effectively. Brazing ; Materials science ; Thermal expansion ; Filler (materials) ; Composite material ; Thermal ; Metallurgy ; Thermodynamics Advanced ceramic materials synthesis ; Aluminum Alloys Composites Properties ; Intermetallics and Advanced Alloy Properties
Authors: Amanda Acevedo-Jake | B. Mylemans | Danielle F. Kay | Peiyu Zhang | Bogusława Korona | Guto G. Rhys | Aneika C. Leney | Danny T. Huang | Thomas A. Edwards | Laura S. Itzhaki | Derek N. Woolfson | Andrew J. Wilson
Source: ChemRxiv (preprint, 2025-05-22)
Field: Materials Science — Biomaterials

Grafted Coiled-coil Peptides as Multivalent Scaffolds for Protein Recognition Self-assembled peptides are promising templates for the design of inhibitors of protein-protein interaction (PPI) because they can be endowed with affinity- and selectivity-defining amino acids alongside favorable physicochemical properties such as solubility and stability. Here we describe a tunable coiled-coil scaffold and its interaction with MCL-1, an α helix-binding anti-apoptotic protein and important target in oncology. We explore the role of oligomerization, multivalency and co-operativity in PPI inhibition. Hot-spot residues from an MCL-1 binding peptide (NOXA B) are grafted onto the outer surfaces of homo- and heterodimeric coiled-coil peptides to obtain inhibitors with mid-nM potency and selectivity over BCL-xL. Binding of homodimeric coiled coils to MCL-1 is positively co-operative resulting in stabilization of both partners. Homodimeric coiled coils support binding of two copies of the target protein. Modification of the coiled-coil sequence to favor assembly of higher-order scaffolds (trimer and tetramer), negatively impacts inhibitory potency, with AlphaFold2 modelling and biophysical data indicating a complex interplay between coiled-coil oligomerization and target binding. Together, these data establish dimeric coiled coils as the most-promising of such scaffolds to develop inhibitors of α helix-mediated PPIs. Coiled coil ; Coiled tubing ; Electromagnetic coil ; Chemistry ; Biomedical engineering ; Engineering ; Biochemistry ; Mechanical engineering Supramolecular Self-Assembly in Materials ; Advanced biosensing and bioanalysis techniques ; Chemical Synthesis and Analysis
Authors: Yu-Bai Xiao | Linda Ravazzano | Maria Grano | Graziana Colaianni | Clair Baldock | Flavia Libonati | Anna Tarakanova
Source: ACS Biomaterials Science & Engineering (article, 2025-05-09)
Field: Materials Science — Biomaterials

Influence of Non-Cross-Linking AGEs on Mechanical Properties and Morphological Features of Tropocollagen Peptides: A Molecular Dynamics Study Collagen, a protein known for its long lifespan, is susceptible to accumulation of advanced glycation end products (AGEs) with age. These AGEs are considered markers that indicate the aging severity and influence the mechanics of tissues, leading to fragile bones and hardened skin. While many cross-linking AGEs have been widely studied for their ability to reduce the elasticity of biological tissues, contributing to skin hardening and fragile bones, through strong covalent bonds, non-cross-linking AGEs, or AGE adducts, are typically investigated as indicators of aging or as signaling factors in pathological conditions. However, recent experimental findings have revealed that the number of AGE adducts in aged bone is comparable to enzymatic cross-links, which are significantly more abundant than cross-linking AGEs. Based on these observations, we consider one of the most abundant AGE adducts - carboxymethyllysine (CML) - and employ molecular dynamics simulations to explore its direct impact on the mechanical and conformational properties of single tropocollagen molecules. Our models demonstrate that tropocollagen peptides, constructed based on sequences experimentally identified with sites of CML modifications in type I collagen derived from human cortical bone, exhibit heterogeneous behaviors under tensile testing. Still, most of these modified peptides display compromised structural stability, reduction in structural strength, and diminished energy dissipation ability when tension is applied. This study highlights the potential impact of non-cross-linking AGEs on collagen behavior at molecular scale and provides insights into the mechanisms underlying these modifications. Gaining a deeper understanding of the role of AGE adducts and their contribution to the aging process may pave the way for future solutions in antiaging research. Molecular dynamics ; Materials science ; Biophysics ; Dynamics (music) ; Nanotechnology ; Chemistry ; Computational chemistry ; Biology ; Physics Supramolecular Self-Assembly in Materials ; Bone and Dental Protein Studies ; Collagen: Extraction and Characterization