jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Hemalatha Kilari | Ilke Akturk | Attila Tamas Csathy | Murat Ekin Agca | Urvi Mathur | Zoltan K. Nagy
Source: CrystEngComm (article, 2025-12-23)
Field: Materials Science — Materials Chemistry

Systematic workflow for crystallization process design for a polymorphic system: an experimental case study of imatinib mesylate Crystallization process design and workflow for a polymorphic system. Workflow ; Process (computing) ; Process design ; Crystallization ; Imatinib mesylate ; Quality by Design Crystallization and Solubility Studies ; Polymer crystallization and properties ; Crystallography and molecular interactions
Authors: Tina Tri Wulansari | Pebiansyah Hafsari | Ratih Fenty Anggriani Bintoro | Yuli Fitrianto | Gunawan Gunawan | Nyoman Santiyadnya | Reza Andrea | Syafei Karim | Dewi Rostia | Guntur Arie Wibowo | Tri Hannanto Saputra | Maria Floriana Ping
Source: Journal of Applied Engineering and Technological Science (JAETS) (article, 2025-06-08)
Field: Chemistry — Physical and Theoretical Chemistry

Magic Boom Chemical: A Tracking Marker-Based Approach in Developing Chemical Molecule Textbook In Traditional teaching methods for chemical molecules, which rely on textbooks and physical modeling tools, face challenges in providing an engaging and comprehensive learning experience. This study introduces "Magic Boom Chemical," an augmented reality (AR)-based educational tool utilizing marker tracking to display three-dimensional molecular structures. A quasi-experimental method was employed, involving two groups of high school students: an experimental group using the AR application and a control group using conventional teaching methods. Pre-tests and post-tests were conducted to assess the effectiveness of the tool. Results indicated a significant improvement in students’ understanding and engagement when using the AR-based media, with the experimental group achieving higher average post-test scores. The study concludes that integrating AR into educational materials can enhance learning outcomes and increase students’ motivation. These findings highlight the potential of AR technology as an innovative solution for improving science education and suggest further research to refine and expand its applications. MAGIC (telescope) ; Boom ; Molecule ; Chemistry ; Art ; Physics ; Engineering ; Organic chemistry ; Astronomy Various Chemistry Research Topics ; Genetics, Bioinformatics, and Biomedical Research ; Science Education and Pedagogy
Authors: Bingjun Shang | Xiaoping Zhang | Z. Jiao | Zhaoyang Xu | Jun Jia | J B Wang | Fan Meng | Bo Hou | Yi Wang | Dong Li
Source: The Canadian Journal of Chemical Engineering (article, 2025-07-10)
Field: Chemistry — Analytical Chemistry

Application of an integrated approach based on multi‐objective preference in the design and performance evaluation of efficient defoamers Abstract A probability‐based approach for multi‐objective optimization is employed to develop efficient defoamers, addressing the challenges of drilling fluid foaming and the complex task of synergistically optimizing multiple performance indices of existing defoamers. An L 16 (4 3 ) orthogonal array (comprising 16 experimental runs with 3 factors at 4 levels each) is selected for the optimization process. The evaluation factors include the ratio of polyoxyethylene polyoxypropylene glycerol polyether (GPE) to polypropylene glycol (PPG), reaction temperature, and reaction time. The evaluation indicators encompass the stationary defoaming time and density recovery of freshwater and saline slurries at both room and elevated temperatures. Each performance indicator is classified as either favourable or unfavourable. Partial and total preference probabilities are calculated for each attribute. The optimal preparation plan is identified through screening, yielding a GPE:PPG ratio of 1:1, a reaction temperature of 80°C, and a reaction time of 2 h. Experimental results demonstrate that the defoamer effectively eliminates foam in drilling fluids at dosages ranging from 0.2% to 0.3%, outperforming typical commercially available defoamers. The defoamer achieves a density recovery rate exceeding 81% for both freshwater and saline slurries at room and high temperatures. Characterization via infrared spectroscopy, thermal stability assessments, and fluorescence testing confirms that the defoamer retains excellent performance under the complex working conditions encountered in drilling fluids, showcasing strong adaptability. Defoamer ; Slurry ; Adaptability ; Materials science ; Chemical engineering ; Process engineering ; Computer science ; Environmental science ; Dispersant ; Composite material ; Engineering Petroleum Processing and Analysis ; Drilling and Well Engineering ; Polymer composites and self-healing
Authors: Đàm Xuân Thắng | Cung Dinh Duc | Nguyen Ngoc Quynh | Pham Thi Tham | Hoang Thi Minh Thai | Phi Hùng Nguyễn | Nguyễn Thúy Chinh
Source: Vietnam Journal of Science and Technology/Science and Technology (article, 2025-08-28)
Field: Chemistry — Inorganic Chemistry

Optimizing the preparation of nanoemulsions based on sacha inchi (Plukentia volubilis L.) seed oil by response surface methodology This work presents the use of Sacha Inchi (Plukentia volubilis L.) seed oil (SO) as an oily phase for preparation of nanoemulsion systems. The pseudo-ternary phase diagram for SO, water and surfactants has been constructed to find the suitable range for components of the emulsion systems. The optimization has been processed to investigate the optimal composition of components of the emulsion systems. The emulsion prepared based on SO, Tween 80 and distilled water had a high stability without layer separation after 30 days of testing. Therefore, three technology factors including SO volume, Tween 80 volume and distilled water volume with low level (-1) and high level (+1) have been selected while the droplet size was used as a objective function. The quadratic design model and analysis of variance (ANOVA) statistical model have been calculated based on the data of droplet size obtained from 15 randomized experiments. The optimization was carried out by using Design Expert 11.1.0.1 software and Box-Behnken design type by response surface methodology (RSM). The results showed a high fitting of theoretical model and experimental data. The optimal conditions were found at SO of 266 µL, Tween 80 of 264 µL, and distilled water of 483 µL. At the optimal conditions, the droplet size of the submicron emulsion was 57.9 ± 1.5 nm. Other characteristics of the nanoemulsion prepared at the optimal conditions have been evaluated by using the infrared (IR) spectroscopy, stereo microscopy (SM), zeta potential and ultra violet visible (UV-Vis) spectroscopy. Response surface methodology ; Chemistry ; Chromatography Coconut Research and Applications
Authors: P. Martinez | A. Deisting | Heriques Frandini Gatti | D. González-Díaz | Adam John Lowe | K. Majumdar | K. Mavrokoridis | M. Nessi | Barney Philippou | F. Pietropaolo | S. Ravinthiran | F. Resnati | Adam Roberts | Ángela Saá Hernández | C. Touramanis | Jared Vann
Source: Frontiers in Detector Science and Technology (article, 2025-10-20)
Field: Chemistry — Spectroscopy

Design and performance of the ARIADNE+ detector, bringing novel 3D optical dual-phase LArTPCs to the large scale The ARIADNE programme is focused on the development of a scalable optical readout system for use in future ktonne LAr neutrino experiments, providing high tracking capability and low energy thresholds. Following demonstration at the 1 tonne scale (ARIADNE detector), a 20 tonne experiment has been performed at the CERN Neutrino Platform ( <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" id="m2"> <mml:mrow> <mml:msup> <mml:mrow> <mml:mtext>ARIADNE</mml:mtext> </mml:mrow> <mml:mrow> <mml:mo>+</mml:mo> </mml:mrow> </mml:msup> </mml:mrow> </mml:math> ) to test scalability for integration into colossal future experiments such as those planned within the DUNE programme. This paper details the design, construction and performance of a 2.3 × 2.3 m light readout plane (LRP), which contained the largest glass THGEM array ever constructed. Four Timepix3 cameras were mounted externally to image the secondary scintillation light produced within the THGEM holes; three cameras operated with a visible image intensifier, and one with a VUV sensitive intensifier coupled to a custom magnesium fluoride lens. The Timepix3 data are natively zero suppressed, and with the 1.6 ns timing resolution, straightforward 3D event reconstruction is possible. A gallery of reconstructed LAr interactions is presented. Energy resolution and calibration were determined using cosmic muons. The energy resolution was found to be approximately 11% for the presented dataset. An outlook on the next steps for this work is given. Scintillation ; Calibration ; Scalability ; Energy (signal processing) ; Tracking (education) ; Neutrino ; Image intensifier ; Scale (ratio) ; Image resolution Spectroscopy and Laser Applications ; Radiation Detection and Scintillator Technologies ; Advanced Optical Sensing Technologies
Authors: Andrey Kirichek | Dmitriy Solovyev | А.V. Yashin | Sergey A Silantyev
Source: Tractors and Agricultural Machinery (article, 2025-08-26)
Field: Materials Science — General Materials Science

Wave strain hardening in combined and additive technologies To ensure the operational properties of machine parts in the technological processes of their manufacturing, use of hardening operations is necessary. The method of wave strain hardening has wide technological possibilities and allows forming a large depth of the modified layer with various uniformity of strengthening. Wave strain hardening is one of the methods that helps to enhance the potential of other hardening technologies, with which it is used in combined strengthening. The paper considers the results of studies of the combined technology, including preliminary wave strain hardening and subsequent thermochemical treatment (cementation). It was found that the use of such treatment increases the durability under the action of contact-fatigue loads by up to 2.5 times. The paper considers the results of studies of the combined technology, including preliminary wave strain hardening and subsequent heat treatment. It was found that the use of such technology increases the abrasive wear resistance up to 16% in creating a uniformly modified structure, and the fatigue life up to 60% or more in creating a heterogeneously modified structure. The paper considers the results of studies of the use of wave strain hardening in additive technologies to improve the strength characteristics of the synthesized metallic material. It was found that the mechanical properties of samples obtained using wave strain hardening can be increased up to 2.5 times regarding similar properties of rolled products made from the same grade of material. The obtained study results can be used not only for hardening critical machine parts at the final stages of their manufacturing, but also in additive technologies for producing parts. Strain (injury) ; Materials science ; Medicine ; Internal medicine Material Properties and Applications ; Material Properties and Failure Mechanisms ; Additive Manufacturing Materials and Processes
Authors: B. L. Kumawat | Sunil Kumar | Rajnish Aggarwal | Gita Rani | Shabnam Choudhary | Jaspinder Kaur | Aparna Singh
Source: Cureus (article, 2025-02-03)
Field: Materials Science — Biomaterials

Evaluation of the Antibacterial and Antifungal Efficacy of Chitosan Nanoparticles in Irreversible Hydrocolloid Impression Materials: A Cross-Sectional Study The study found a significant reduction in both bacterial and fungal counts in impressions made with Group 1 compared with Group 2 at both 0- and 10-minute intervals (p<0.001). At 10 minutes, bacterial counts decreased significantly in Group 1 (from 75.50±34.56 to 26.00±16.03), and fungal counts were also reduced (from 2.70±1.22 to 0.55±0.69). The antibacterial and antifungal efficacy was increased at the 10-minute interval, compared to the 0-minute interval. Conclusion: Incorporating 1% CHN into the IHC impression material significantly enhanced its antibacterial and antifungal properties, making it an effective self-disinfecting agent. This modification reduces the need for additional disinfection steps and offers a practical solution for improving cross-infection control in dental practice. CHN's biocompatibility and biodegradability further support its potential as an eco-friendly and sustainable alternative for dental materials. Medicine ; Antifungal ; Chitosan ; Nanoparticle ; Impression ; Microbiology ; Dermatology ; Nanotechnology ; Chemical engineering ; World Wide Web Nanocomposite Films for Food Packaging ; Antimicrobial agents and applications ; Nanoparticles: synthesis and applications
Authors: Binghui Deng | Swastik Basu | Liping Huang | Yunfeng Shi
Source: Journal of Applied Physics (article, 2025-09-02)
Field: Materials Science — Ceramics and Composites

Molecular simulation of subcritical crack growth under dry conditions in a model brittle glass Subcritical crack growth can occur under a constant applied load below the threshold value for catastrophic failure, also known as static fatigue. Here, we report how a crack grows under a combination of stress-intensity factor (K) and temperature in a model brittle glass using molecular dynamics simulations. The model glass is under dry conditions, thus avoiding the complexity of corrosion chemistry. The crack growth rate is shown to be inconsistent with the commonly used subcritical crack growth model rooted in the transition state theory (TST), in which the applied stress-intensity factor reduces the transition barrier. A new subcritical crack growth model is proposed with a constant barrier and a K-dependent prefactor in TST, representing the size of the region for potential bond breaking. The thermomechanical condition for subcritical crack growth is also mapped in the K-T domain, in between elastic deformation and catastrophic fracture regimes. Finally, we show substantial crack self-healing once the applied load is removed, under the thermodynamic driving force of surface energy reduction. Our findings provide new insights into the mechanochemical coupling during static fatigue and call for experimental investigation of whether the activation energy is K-dependent. Brittleness ; Materials science ; Growth model ; Composite material ; Molecular dynamics ; Mechanics ; Chemistry ; Physics ; Computational chemistry ; Mathematics Glass properties and applications ; Cultural Heritage Materials Analysis ; Material Dynamics and Properties
Authors: Marc A. Rosen
Source: Thermal Science and Applications (article, 2025-05-30)
Field: Materials Science — Materials Chemistry

The Importance of Thermal Science and Applications Scilight Press is an international academic publisher dedicated to open-access peer-reviewed journals and books. As a global multidisciplinary publisher, we provide a platform for researchers, scholars, and academics to disseminate their work across diverse fields of study. We are committed to advancing knowledge and fostering academic discourse. Multidisciplinary approach ; Dissemination ; Work (physics) ; Field (mathematics) Thermal properties of materials ; Thermography and Photoacoustic Techniques ; Heat Transfer and Numerical Methods
Authors: Bakhtiniso Muzaffarova | Davlat Tukhtaev | Sanjar Tillayev
Source: Chemical Science International Journal (article, 2025-08-06)
Field: Materials Science — Polymers and Plastics

Improvement of Antibacterial and Wound Healing Properties of Resorbable Biomaterials Using 1-(Alkylamino) Isoquinoline Derivatives One of the problems in implantation of resorbable materials into the body is inflammation and purulent processes after surgery caused by pathogenic bacteria. There is a lot of information in the literature on the study and elimination of this problem. In order to expand the possibility of using resorbable materials, it is important to search for new drugs with antibacterial and wound-healing properties. In the article are presented the results of research on obtaining materials with antibacterial and wound healing properties by incorporating 1-(alkylamino) isoquinoline derivatives into PLA/HA-based resorbable biomaterials. It was found that the antibacterial properties increase with the increasing of the alkyl group from methyl to butyl in 1C of 1-(alkylamino) isoquinoline derivatives. According to the results of molecular docking to the enzymes 6COX (cyclooxygenase-2) and 3V99 (lipoxygenase-5), synthesized derivatives can occur binds between ligands and protein molecules hydrogen and hydrophobic bonds, as well as π–π stacking interactions. It was shown that the release of drugs from their contents in an aqueous environment, included in the entire volume of the material, reaches its maximum value in 8-10 days. The synthesized materials have the properties of healing artificial wounds in vitro in fibroblast cell line L929 cells, and in 72-hour experiments was healed about 90% of the wounds. Wound healing ; Chemistry ; Isoquinoline ; In vitro ; Combinatorial chemistry ; Biomedical engineering ; Organic chemistry ; Biochemistry ; Surgery ; Medicine Polymer Synthesis and Characterization ; Chemical synthesis and pharmacological studies ; Synthesis and biological activity
Authors: Michael Douglas Roque Lima | A Soares | Joabel Raabe | Paulo Fernando Trugilho | Thiago de Paula Protásio | Paulo Ricardo Gherardi Hein
Source: Ciência e Agrotecnologia (article, 2025-01-01)
Field: Chemistry — Analytical Chemistry

Near-infrared spectroscopy for predicting the carbonization temperature of charcoal derived from Amazonian wood wastes ABSTRACT The precise monitoring of the maximum carbonization temperature is vital for quality control of charcoal produced from Amazonian wastes. However, no viable or efficient technologies exist for classifying charcoal derived from wood wastes generated under sustainable forest management plans (SFMPs) based on their final carbonization temperature. In this study, the accuracy of multivariate models calibrated with near-infrared (NIR) spectral data was assessed for estimating the final carbonization temperature of charcoals from wood waste in Amazonia. Furthermore, residual samples of the Amazonian woods-angelim-vermelho (Dinizia excelsa), timborana (Pseudopiptadenia suaveolens), pequiarana (Caryocar sp.), inharé (Brosimum gaudichaudii), tapiririca (Tapirira guianensis), and Marupá-amarelo (Simaba guianensis)-were carbonized in the laboratory at four different final temperatures (400, 500, 600, and 700 °C). Moreover, the spectral data from the radial and transverse surfaces of the charcoals were analyzed using principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA). Although PCA effectively grouped the samples into different temperature ranges, it could not fully differentiate them due to spectral overlap. In contrast, PLS-DA demonstrated superior performance, accurately classifying over 89% of the charcoals. The carbonization temperature of charcoal from Amazonian wood wastes was effectively predicted through benchtop NIR combined with multivariate models. For broader applicability under operational conditions, future studies should assess the performance of portable NIR devices for in-field classification and monitoring. Carbonization ; Charcoal ; Amazonian ; Principal component analysis ; Partial least squares regression ; Residual ; Spectroscopy Spectroscopy and Chemometric Analyses ; Thermochemical Biomass Conversion Processes ; Wood and Agarwood Research
Authors: Ryuto Horie | Kazuharu Uchiyama | Kingo Uchida | Hirokazu Hori
Source: Scientific Reports (article, 2025-02-13)
Field: Materials Science — Materials Chemistry

Electronic imaging of photoisomerisation process in photochromic crystals with scanning tunnelling spectroscopy Nanoscale photoisomerisation in photochromic crystals is promising for nanoscale optoelectronic applications. To further understand this phenomenon and address fundamental difficulties in measuring photoisomerisation at the nanoscale, we used scanning tunnelling spectroscopy (STS) to measure the changes in the electronic properties of the microcrystals that correspond to the photoisomerisation state. The results showed reversible changes in the electronic properties of the crystals in response to photoisomerisation between the coloured (closed ring) and decoloured (open ring) states. Furthermore, the measured tunnel current fluctuation increased as the crystal was uniformly decolourised, indicating that the measurement was sensitive to the position of the molecular-scale tunnel junction. STS measurements on the crystals visualised the relationship between the thickness of the crystals and the degree of photoisomerisation in a two-dimensional image without the use of light. Isomerisation-dependent electronic properties provide a method to visualise the photoisomerisation progress on the crystal at the nanometre scale without extra photoisomerisations and show potential as a fundamental technology for nano-optoelectronics integration. Photochromism ; Quantum tunnelling ; Spectroscopy ; Process (computing) ; Optoelectronics ; Materials science ; Optics ; Photochemistry ; Computer science ; Chemistry ; Nanotechnology ; Physics Photochromic and Fluorescence Chemistry ; Photoreceptor and optogenetics research ; Neurobiology and Insect Physiology Research
Authors: Mustafa Dursunlar | Zakir Taş
Source: Demiryolu Mühendisliği (article, 2025-01-24)
Field: Materials Science — Materials Chemistry

Ray Bağlantı Elemanlarının Deneysel ve Yapay Zekâ Destekli Korozyon Direncinin İncelenmesi Gezegenimizdeki küresel iklim değişikliği son yıllarda olumsuz etkilerini iyice hissettirmeye başlamıştır. Bu durum atmosfer koşullarını değiştirmekte ve mühendislik yapıları için tehdit oluşturmaktadır. Ağır iklim ve atmosfer koşulları altında işletilen demiryolları için özellikle ray bağlantı elemanlarının mekanik özellikleri yetersiz kalmaktadır. Bu çalışmada HM tipi ray-travers bağlantısındaki 38Si7 kimyasal bileşime sahip SKL14 gergi kıskacının EN ISO 9227 standardında deneysel olarak yapay atmosferde tuz püskürtme korozyon testleri yapılmıştır. Test sonuçlarında ilk pas 0,5 saat ve tamamen pas 1 saatte gözlemlenmiştir. 1 saat sonundaki ağırlık kaybı 0,0137 g olarak ölçülmüştür. Korozyon hızı 0,000749 mm/yıl (0,749 µm/yıl) olarak hesaplanmıştır. Deneysel korozyon verileriyle yapay zekâ destekli makine öğrenmesi yardımıyla tahmin modelleri oluşturulmuştur. Sonuç olarak kaplamasız gergi kıskaçlarının korozyon performansının demiryolu standartları ve kullanımı için uygun olup olmadığı hem deneysel hem de yapay zekâ destekli olarak açıklanmıştır. Physics Material Properties and Failure Mechanisms ; Advanced Measurement and Detection Methods ; Fatigue and fracture mechanics