jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Nakib H. Protik | Claudia Draxl
Source: arXiv (Cornell University) (preprint, 2024-01-09)
Field: Materials Science — Materials Chemistry

Beyond the Tamura model of phonon-isotope scattering The Tamura model is a particular type of 1$^{\text{st}}$ Born approximation of the phonon-isotope scattering problem. The expression for the mode-resolved phonon-isotope scattering rates in this model, derived in 1983, is still widely used in ab initio transport calculations. While the original work emphasized its applicability to low-energy acoustic phonons only, it has, nevertheless, been also applied to optical phonons in the field of phonon transport. The model has the salient feature of being a perturbation theory on top of a virtual crystal background. As such, this approach does not correspond to the proper methodology for solving the phonon-substitution defect problem in the respective limit. Here, we explore three avenues to go beyond the Tamura model and carry out calculations on a set of common materials to compare the different approaches. This work allows a systematic improvement of the treatment of phonon-isotope scattering in ab initio phonon transport, while unifying it with the general phonon-substitution scattering problem. Phonon ; Scattering ; Phonon scattering ; Ab initio ; Physics ; Statistical physics ; Condensed matter physics ; Quantum mechanics Thermal properties of materials ; Nuclear materials and radiation effects ; Advanced ceramic materials synthesis
Authors: Laura Finck | Valentin Hagemann | Nina Ehlert | Sebastian Polarz | Henning Menzel
Source: ChemRxiv (preprint, 2024-07-11)
Field: Materials Science — Biomaterials

Ultrathin surface-attached hydrogel coating for potential reversible nanogluing of implants A multifunctional copolymer of N-(2-Hydroxypropyl)methacrylamide (HPMA) and a phosphonate-containing monomer was developed with the aim of applying a hydrogel coating to implant surfaces. For this purpose, a copolymer was prepared that could bind to the implant surface (e.g. titanium) via a phosphonate group. A photocrosslinkable group (phenyl azide) and hydrophilic groups were also incorporated to form a hydrogel. Coatings of these polymers produced by spin coating and subsequent photocrosslinking were characterised by laser ellipsometry, which gave controlled dry layer thicknesses in the range 40 to 140 nm. Furthermore, the swelling ability was investigated by in-situ ellipsometry in different aqueous media. According to these measurements, the coatings can swell up to three times the initial dry film thickness, depending on their crosslinker content. We also validate long-term stability under physiological conditions. In addition, the hydrogel coatings can immobilise different types of silica nanoparticles (non-porous silica (15 nm), nanoporous silica (40 nm) and periodic mesoporous organosilica (100 nm), which makes them suitable for nanogluing. Preliminary tests have shown that a PDMA hydrogel can indeed adhere to the surface-bound hydrogels by way of nanoparticles. Coating ; Materials science ; Composite material ; Nanotechnology Electrospun Nanofibers in Biomedical Applications
Authors: Didik Nurhadiyanto | Khaerana Mutahara Kassyaf | Mujiyono Mujiyono | Beni Tri Sasongko | Virda Hersy Lutviana Saputri
Source: EUREKA Physics and Engineering (article, 2024-03-29)
Field: Materials Science — Polymers and Plastics

Formations effect of brass plate anode on electroplating thickness uniformity: case study on wheelchair headrest Uniformity of coating thickness in the electroplating process of cylindrical objects using plate-shaped anodes has become a challenging issue. One electroplating method uses a cylindrical anode. However, this strategy is too expensive and requires a lot of material. This paper determines the effect of brass plate anode formation on the headrest thickness uniformity of the electroplating brass coating on the headrest connector of electric wheelchairs made of St. 37. The research started by making headrest connector using a turning machine, then plating the brass using the electroplating method, and then testing the thickness of the resulting brass for uniformity of data using statistics. The number and placement of the plate anodes varied with 2 symmetrical position anodes, 3 symmetrically spaced anodes, and 4 symmetrically positioned anodes. Coating thickness was measured using a digital microscope with a magnification of 200 times. Before measuring the thickness of the coating, the surface of the joint is milled first to remove any chamfer on the top surface of the body and the cover headrest connector. The surface is smoothed using sandpaper and cleaned using etching. Data from the uniformity test results show the highest level of uniformity in the variation of 4 anodes on the body and the cover of the headrest connector, followed by variations on the 3 anodes on the body and the cover of the headrest connector, and variations of 2 anodes on the body and the cover of the headrest connector. The greater the number of anodes and their placement around the cathode, the higher the thickness uniformity of the resulting brass electroplating layer. The formation of brass plate anode on electroplating affects headrest thickness uniformity Brass ; Electroplating ; Materials science ; Wheelchair ; Anode ; Metallurgy ; Composite material ; Computer science ; Electrode ; Physics ; Copper Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials ; Additive Manufacturing and 3D Printing Technologies
Authors: Marijana Ponjavić | Jelena Milovanović | Jasmina Nikodinović‐Runić | Nikola Đurašković | Sferikon Design & Inovations, Sremska Kamenica, Serbia | Nedeljko Tica | Irena Živković
Source:  (article, 2024-01-01)
Field: Materials Science — Biomaterials

BIODEGRADABILITY ASSESSMENT OF CORN STOVER REINFORCED COMPOSITE MATERIALS WITH DIFFERENT MATRIX In this paper, the biodegradability of three SferiCorn™ biocomposites was investigated. Corn stover prepared through eco-friendly washing and grinding to short fibers was used as reinforcement. Three different biopolymers, corn starch, alginate and poly (3-hydroxybutyrate-co-3-hydroxyvalerate) (PHBV), were used as matrices. The biodegradability of prepared composites was investigated in a simulated soil burial test and the samples were characterized in terms of weight loss and morphological changes. It was shown that biodegradability can be tuned by biopolymers used as matrices. Changes in the surface morphology after biodegradation of tested samples were confirmed using scanning electron microscopy (SEM). Biodegradation ; Materials science ; Starch ; Corn stover ; Composite material ; Composite number ; Scanning electron microscope ; Matrix (chemical analysis) ; Chemical engineering ; Pulp and paper industry ; Hydrolysis ; Chemistry ; Organic chemistry biodegradable polymer synthesis and properties ; Natural Fiber Reinforced Composites ; Additive Manufacturing and 3D Printing Technologies
Authors: Erhan ÖZKAN
Source: Journal of Scientific Reports-A (article, 2024-06-28)
Field: Materials Science — Materials Chemistry

Investigation of the alloying elements effect in the flux-cored wire and submerged arc welding flux combination In this study, it was aimed to investigate hardfacing weld metals’ metallurgical and mechanical properties produced by flux-cored wire and submerged arc welding flux combinations. The usage of the combination for these two methods, which are generally preferred separately, distinguishes this research from other similar studies. In the first stage, the optimum production conditions and physical properties of the submerged arc welding fluxes were determined and then flux-cored wire manufacturing details have been defined. Agglomerated submerged arc welding fluxes and seamed type flux-cored welding wires samples were investigated according to the changing carbon, chromium, niobium, and wolfram ratios, while manganese and silicon values were kept constant. Five different samples have been prepared with this purpose, and the hardness test, wear test, microstructure analysis, chemical analysis, and X-Ray diffraction analysis were carried out respectively. It was observed that the increase in hardness affects the wear resistance directly. The effect of chemical analyses on the microstructure has also been determined. Moreover, while the increasing amount of chromium carbide clearly changed the microstructure, and the addition of refractory metals enabled the formation of the eutectic and dendritic structure. The problems of low efficiency in flux-cored wire and inability to alloy in submerged arc welding flux were solved with this method. Therefore, the production of hardfacing consumables via submerged flux-cored arc welding combination method was achieved firstly by using domestic raw materials, and one TUBITAK project and one PhD thesis were successfully finished with these data. Consumables ; Hardfacing ; Metallurgy ; Welding ; Submerged arc welding ; Materials science ; Flux (metallurgy) ; Microstructure ; Arc welding ; Eutectic system ; Shielded metal arc welding ; Gas tungsten arc welding ; Alloy ; Heat-affected zone ; Composite material Metal Alloys Wear and Properties ; Welding Techniques and Residual Stresses ; Advanced materials and composites
Authors: ilanchit chenni | Suresh Kathiresan | P. Venkatesan | N. Kannappan | M. Rajasekar | Azamuthu Theerthu | Abulkalam Asath Ahamed | Ravichandran Pugazhendhi | Kathiresan Sivakumar
Source:  (preprint, 2024-08-28)
Field: Materials Science — Biomaterials

Justification of Cytoprotective and Apoptotic Action of PLGA Loaded Nedaplatin Nanoformulation against OECM-1 Cell: A Multi-Modal Analysis Poly- (D, L-lactic-co-glycolic) acid-loaded nedaplatin nanoparticles (PLGA-NDP) have been used to treat oral squamous cell carcinoma (OSCC). The preparation and characterisation of PLGA-NDP, which was formed and optimised using the double emulsion technique and Box-Behnken design, were investigated in detail. Various methods, including scanning electron microscopy- energy dispersive X-ray spectroscopy, dynamic light scattering, thermogravimetric analysis-differential thermal analysis, Fourier-Transform Infrared Spectroscopy, UV-VIS spectroscopy, and in vitro drug release studies, were employed to examine the morphology, element distribution, physical state, internal structure, encapsulation efficiency, and release profile of the nanoparticles. The Box-Behnken design, which used four factors at four levels to calculate the central point, significantly improved the results. The response of the optimised condition provided an accurate prediction, and the experiment was conducted further. The design was validated, and satisfactory agreement was observed between the predicted and experimental values. The obtained results provided evidence of a new geometric construction of PLGA-loaded Nedaplatin nanoparticles with enhanced efficiency when analysed through bio-assessment, such as cytotoxicity measurement, intracellular ROS, mitochondrial dysfunction, colony formation, apoptosis-associated gene expression profile, and cell cycle analysis in OECM-1 cell lines. Therefore, these findings and techniques are useful for the development of PLGA-NDPs. Nedaplatin ; Apoptosis ; Action (physics) ; Modal ; Chemistry ; Cell biology ; Medicine ; Biology ; Physics ; Internal medicine ; Biochemistry ; Cisplatin ; Chemotherapy Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications
Authors: Xinrui Wang | Wei-Xiu Lin | Yilong Lu | Dietmar Kuck | Wen‐Rong Xu
Source: Royal Society Open Science (article, 2024-09-01)
Field: Materials Science — Materials Chemistry

pH-Responsive supramolecular vesicles for imaging-guided drug delivery: Harnessing aggregation-induced emission The water-soluble tribenzotriquinacene-based hexacarboxylic acid ammonium salt, <b>TBTQ-C</b> <sub><b>6</b></sub> , acts as the host component (<b>H</b>) forming host-guest complexes with tetraphenylethylene (TPE)-functionalized monotopic and tetratopic quaternary ammonium derivatives, <b>G1</b> and <b>G2</b>, to yield supra-amphiphiles. These supra-amphiphiles self-assemble to form pH-responsive fluorescent vesicles, which have allowed us to capitalize on the aggregation-induced emission (AIE) effect for imaging-guided drug delivery systems. These systems exhibit efficient drug loading and pH-responsive delivery capabilities. Upon encapsulation of the anticancer drug doxorubicin (DOX), both the TPE and DOX chromophores undergo dual-fluorescence deactivation due to the energy transfer relay (ETR) effect. Under acidic conditions, the release of DOX interrupts the ETR effect, resulting in the fluorescence recovery of TPE fluorogens and DOX, allowing for real-time visual monitoring of the drug release process. Cytotoxicity experiments confirmed the low toxicity of the unloaded vectors to normal cells, while the DOX-loaded vectors were found to significantly enhance the anticancer activity of DOX against cancer cells <i>in vitro</i>. The AIE-featured supramolecular vesicles presented in this research hold great potential for imaging-guided drug delivery systems. Tetraphenylethylene ; Amphiphile ; Drug delivery ; Chemistry ; Doxorubicin ; Fluorescence ; Biophysics ; Aggregation-induced emission ; Vesicle ; Supramolecular chemistry ; Fluorescence-lifetime imaging microscopy ; Combinatorial chemistry ; Cytotoxicity ; Doxorubicin Hydrochloride ; Nanotechnology ; In vitro ; Materials science ; Biochemistry ; Membrane ; Organic chemistry ; Copolymer ; Molecule ; Biology Luminescence and Fluorescent Materials ; Molecular Sensors and Ion Detection ; Supramolecular Chemistry and Complexes
Authors: Xiujin Shi
Source: Theoretical and Natural Science (article, 2024-11-15)
Field: Chemistry — Organic Chemistry

Lung cancer drug development: From traditional chemotherapy to targeted and immunotherapies Abstract. Lung cancer remains one of the deadliest types of cancer in the world, with the number of deaths due to lung cancer increasing dramatically year after year. In the same period, the approach to the treatment of lung cancer has changed dramatically over the past few decades, from systemic chemotherapeutic drugs-platinum-based drugs in the beginning to a wide range of newer therapeutic approaches such as targeted therapies and immunotherapies at the present time. This article reviews the development of drug therapy for lung cancer. By comparing the differences in mechanism of action and clinical side effects between traditional chemotherapeutic drugs and targeted drugs, we aim to highlight the importance of the development of new targeted drugs and new therapeutic means. In addition, the article also analyses the development and achievements of novel drugs targeting NSCLC with MET-14 exon mutations, and looks into the possible future therapeutic strategies, but there are some research gaps in combination therapy. Through an analysis of the development of lung cancer drugs, this paper aims to provide a more comprehensive perspective to provide guidance for the development and treatment of lung cancer drugs in the future, but there are still a lot of different efficacies brought about by the combination of drugs that have not been resolved, and future research can focus on the direction of the combination of therapies. Lung cancer ; Medicine ; Drug ; Drug development ; Chemotherapy ; Immunotherapy ; Cancer ; Oncology ; Cancer chemotherapy ; Pharmacology ; Internal medicine Synthesis and biological activity ; Lung Cancer Treatments and Mutations ; Cancer therapeutics and mechanisms
Authors: TEJAS SANJAY SONAWANE | TANVI PAINGINKAR | RUCHIR BAVADIA | SG VASANTHARAJU | Muddukrishna Badamane Sathyanarayana | Gundawar Ravi
Source: International Journal of Applied Pharmaceutics (article, 2024-09-07)
Field: Chemistry — Spectroscopy

NAVIGATING NITROSAMINES: ORIGIN, DETECTING, ANALYSING AND REGULATING IMPURITIES IN PHARMACEUTICALS N-nitrosamines are carcinogenic impurities mostly found in groundwater, treated water, foods, beverages, and consumer products like processed meats, alcoholic beverages, cosmetics, and cigarette smoke. The recent discovery of N-nitrosamines in pharmaceutical products and subsequent recalls pose a significant health risk to patients. Nitrosamine impurities in drug products have appeared as a critical concern in pharmaceuticals prompting extensive scrutiny from regulatory agencies and stakeholders. To avoid carcinogenic and mutagenic effects in patients relying on these medications, authorities have established specific guidelines in risk assessment scenarios and proposed control acceptable limits for nitrosamine impurities in pharmaceuticals. This review provides an information on historical background of Nitrosamine impurities; its carcinogenic effect; the sources and formation of impurities; associated risks of nitrosamines in drug formulations; different analytical techniques for nitrosamine detection. It also gives an understanding of the general Quality Risk management (QRM) process, techniques for measuring nitrosamine impurities with control strategies as directed by the regulatory authorities and how to avoid them in pharmaceutical drug products. A brief review on recalls of drug classes including angiotensin II receptor antagonists, histamine-2 receptor antagonists, antimicrobial agents, and antidiabetic drugs by regulatory bodies due to its potential harm produced by nitrosamine have been discussed. Moreover, the regulatory landscape governing nitrosamine impurities are explored, encompassing recent guidelines from major regulatory bodies such as the United States Food and Drug Administration (USFDA), European Medicines Agency (EMA) and Health Canada (HC) in controlling/eliminating the nitrosamine impurities in pharmaceuticals. Impurity ; Chromatography ; Chemistry ; Biochemical engineering ; Environmental chemistry ; Engineering ; Organic chemistry Mass Spectrometry Techniques and Applications ; Advanced Chemical Sensor Technologies ; Analytical Chemistry and Chromatography
Authors: Xue Jiang | Ying Zhao | Jijun Zhao | Yanxia Wang | Yue Yang
Source: Research Square (preprint, 2024-03-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Realization of 2D Multiferroic with Strong Magnetoelectric Coupling by Intercalation: A First-principles High-throughput Prediction Multiferroics ; Antiferromagnetism ; Condensed matter physics ; Magnetism ; Ferroelectricity ; Materials science ; Ferromagnetism ; Tetragonal crystal system ; Physics ; Crystallography ; Dielectric ; Chemistry ; Crystal structure ; Optoelectronics Multiferroics and related materials ; 2D Materials and Applications ; Perovskite Materials and Applications
Authors: Asad Munir | Muhammad Fauzinizam Razali | Abdus Samad Mahmud | Chinwei Ng | Sana Zulfiqar
Source: JOURNAL OF MECHANICAL ENGINEERING AND SCIENCES (article, 2024-03-30)
Field: Materials Science — Materials Chemistry

Optimizing ageing conditions for commercial NiTi archwires: Insights from thermal phase transformation and tensile deformation analysis Superelastic nickel-titanium (NiTi) archwires are now commonly used as the standard archwire during the orthodontic alignment and levelling stage. They are preferred due to their ability to apply minimal force on teeth while allowing for a wide range of tooth movements. During orthodontic treatment, the orthodontist assesses the dimension and shape of the NiTi archwire to determine the amount and direction of force required to align misaligned teeth. The main contribution of this study is the parametric analysis and establishment of a set of optimal ageing temperatures and duration for the investigation of functionally graded nickel-titanium archwire using differential scanning calorimetry (DSC) and tensile deformation testing. The mechanical and thermal phase transformation behavior after ageing at six temperatures for duration of 15 minutes have been investigated using tensile deformation test and differential scanning calorimetry (DSC) test in this paper. Experimental results reveal that in thermal analysis as the ageing temperatures increase from 400 °C to 490 °C, the austenite finish temperature rises to a value between 9.53 °C and 35.48 °C, and subsequently decreases to 520 °C. The archwire specimen aged for temperature of 490 °C exhibited the austenite finish temperature of around 35.48 °C, and it is highest among the aged wire specimens closest to oral temperature. In tensile deformation, the ideal ageing temperature for orthodontic applications was determined to be 490 °C for 15 minutes, resulting in relatively low plateau slope 13.73 GPa with high superelatic ratio 12.04, and maximum plateau strain of 7 %. Nickel titanium ; Materials science ; Differential scanning calorimetry ; Austenite ; Ultimate tensile strength ; Tensile testing ; Deformation (meteorology) ; Composite material ; Metallurgy ; Plateau (mathematics) ; Shape-memory alloy ; Microstructure Shape Memory Alloy Transformations ; Titanium Alloys Microstructure and Properties
Authors: Uğur Erbaş | Cantekin Kaykılarlı | Taha Yasin Eken | Burak Küçükelyas | Mehmet Barış Tabakcioğlu
Source: Pamukkale University Journal of Engineering Sciences (article, 2024-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Electromagnetic shielding effectiveness performance of carbon fiber reinforced polymer (CFRP) composites with hematite and goethite in far-field Carbon fibers (CFs) are indispensable materials in our daily life. The excellent bearing capacity, remarkable dielectric property, ease of production, and corrosion resistance of CFRP composites distinguish them from all other options in addition to them, CFRPs may also shield from electromagnetic interference (EMI). In this study, two-layer CF reinforced epoxy composites reinforced with two different hematite (alpha- Fe2O3) and goethite (FeO(OH)) particle sizes of 50 nm and 45 μm (325 mesh) were produced using the manual lay-up method. Then, far field electromagnetic shielding effectiveness (SE) with 700 MHz - 6000 MHz range were examined. The maximum shielding effectiveness was determined to be at 5200 MHz with 39.28 dB for 5 wt.% FeO(OH), at 4700 MHz with 38.38 dB for 10 wt.% Fe2O3(325 mesh), at 3800 MHz with 37.15 dB for 15 wt.% Fe2O3(50 nm). Hematite ; Materials science ; Goethite ; Electromagnetic shielding ; Composite material ; Metallurgy ; Chemistry Electromagnetic wave absorption materials ; RFID technology advancements ; Internet of Things and Social Network Interactions
Authors: M. J. Taranchuk | Richard Braun
Source: arXiv (Cornell University) (preprint, 2024-04-25)
Field: Materials Science — Electronic, Optical and Magnetic Materials

On Modeling Tear Breakup Dynamics with a Nematic Lipid Layer One of the main roles of the lipid layer (LL) of the tear film (TF) is to help prevent evaporation of the aqueous layer (AL). The LL thickness, composition, and structure all contribute to its barrier function. It is believed that the lipid layer is primarily nonpolar with a layer of polar lipids at the LL/AL interface. There is evidence that the nonpolar region of the LL may have liquid crystalline characteristics. We investigate the structure and function of the LL via a model of the tear film with two layers, using extensional flow of a nematic liquid crystal for the LL and shear-dominated flow of a Newtonian AL. Evaporation is taken into account, and is affected by the LL thickness, internal arrangement of its rod-like molecules, and external conditions. We conduct a detailed parameter study with a focus on the evaporative resistance parameter, the Marangoni number, and primary liquid crystal parameters including the Leslie viscosities and director angle. This new model responds similarly to previous Newtonian models in some respects; however, incorporating internal structure via the orientation of the liquid crystal molecules affects both evaporation and flow. As a result, we see new effects on TF dynamics and breakup. Breakup ; Liquid crystal ; Dynamics (music) ; Layer (electronics) ; Mechanics ; Materials science ; Physics ; Optics ; Nanotechnology Liquid Crystal Research Advancements ; Ocular Surface and Contact Lens