Article
Chemistry, Physical
Jonathan F. Gebbia, Andres Henao Aristizabal, Philippe Negrier, David Aguila, Josep Lluis Tamarit, Luis Carlos Pardo
Summary: In this study, the dynamics of PCNB molecules were investigated using molecular dynamics simulations and X-ray diffraction experiments. The results reveal that the molecule undergoes fast and slow rotational movements due to the flexibility of the -NO2 group.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Thermodynamics
Marek Pyda, Marcin Skotnicki, Anna Czerniecka-Kubicka, Iwona Zarzyka
Summary: In this paper, the heat capacity of the liquid state above the glass transition temperature of poly(vinyl methyl ether) (PVME) was investigated. The experimental heat capacity was linked to molecular motions and calculated as the sum of vibrational, external, and conformational contributions. The results showed good agreement between computed and experimental data in the temperature range from 250 to 360 K.
THERMOCHIMICA ACTA
(2023)
Article
Mechanics
Mehrdad Negahban, Wenlong Li, Jean-Marc Saiter, Laurent Delbreilh, Kyle Strabala, Zheng Li
Summary: We propose a model to characterize the dilatational response of glassy polymers, incorporating thermal expansion, elastic back-stress, and viscosity. We evaluate the model using experiments on polycarbonate, considering elastic, thermal, and viscous properties. The model is examined under different thermal and mechanical loadings, crossing the glass transition.
JOURNAL OF RHEOLOGY
(2023)
Article
Physics, Multidisciplinary
Eran Maniv, Ryan A. Murphy, Shannon C. Haley, Spencer Doyle, Caolan John, Ariel Maniv, Sanath K. Ramakrishna, Yun-Long Tang, Peter Ercius, Ramamoorthy Ramesh, Arneil P. Reyes, Jeffrey R. Long, James G. Analytis
Summary: The study reveals a giant exchange bias within a disordered antiferromagnet, arising from a spin-glass phase. Tuning the relative strengths of the spin-glass and antiferromagnetic order parameters allows for tailoring the exchange bias.
Article
Materials Science, Ceramics
S. S. Kliavinek, L. N. Kolotova
Summary: The glass transition of supercooled Zr-Nb melt was studied by molecular dynamics modeling, with glass transition temperature determined using various criteria such as change of heat capacity, diffusion coefficient, and viscosity. It was found that the elastic modulus increases with the decrease of free volume in the structure, in accordance with the supposed model of deformation in amorphous alloys.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2021)
Article
Polymer Science
Vitaly Kocherbitov, Ivan Argatov
Summary: The study reveals that the sorption of vapors by glassy polymers differs from that by rubbery polymers or liquids and is not fully understood. A thermodynamic theory was developed to describe penetrant activity in the glassy state, explaining deviations from equilibrium values and sorption-desorption hysteresis. By considering heat capacity changes of both polymer and penetrant, the theory helps to understand the differences in sorption between equilibrium liquid, glass absorption, and desorption from glass.
Article
Chemistry, Physical
Mikhail Yagofarov, Andrey A. Sokolov, Boris N. Solomonov
Summary: This study investigates the relationship between the isochoric heat capacities of liquid and ideal gas phase organic non-electrolytes and their vaporization enthalpy at 298.15 K. The findings suggest that the difference of isobaric and isochoric heat capacities of liquid aromatic compounds is constant within a certain range and does not depend on the vaporization enthalpy. There is a direct proportionality between isochoric heat capacity change and the vaporization enthalpy for 84 compounds, indicating a strong correlation between the two.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Physics, Multidisciplinary
Semen S. Sologubov, Alexey V. Markin, Natalia N. Smirnova, Elena S. Chamkina, Irina Yu. Krasnova, Sergey A. Milenin, Olga A. Serenko, Zinaida B. Shifrina, Aziz M. Muzafarov
Summary: The molar heat capacity of a first-generation hybrid dendrimer with a carbosilane core/phenylene shell structure was measured for the first time and its thermodynamic properties were calculated in a temperature range of 6-600 K. The results were compared with literature data on some first-generation organosilicon and pyridylphenylene dendrimers.
Article
Chemistry, Physical
Ankita Das, Eran Rabani, Kunimasa Miyazaki, Upendra Harbola
Summary: In the moderate quantum regime, classical cage effects slow down dynamics, while tunneling leads to faster relaxation in the strong quantum regime. The glass transition critical density can be significantly higher in quantum liquids. A perturbative approach is used to study the dynamics in detail, showing an increase in relaxation time with density following a power-law relationship that is dependent on the level of quantumness.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Ove Andersson, Paulo H. B. Brant Carvalho, Ulrich Haussermann, Ying-Jui Hsu
Summary: The glass transitions (GTs) were studied in different samples and with different guest molecules. The results show that the GTs are associated with the water network and deuteration leads to an increase in the glass transition temperature.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Thermodynamics
Akihiko Toda
Summary: The kinetics of enthalpy relaxation in glass-state atactic polystyrene is investigated using temperature-modulated fast scanning calorimetry. The results show that the relaxation time in the nonequilibrium glass state depends on the actual temperature and the nonequilibrium structure indexed by the fictive temperature. The changes in dynamic heat capacity indicate the influence of the nonequilibrium structure, which can be expressed as an effective temperature.
THERMOCHIMICA ACTA
(2023)
Article
Materials Science, Multidisciplinary
M. C. Gordillo, R. Rodriguez-Garcia, J. Boronat
Summary: Using a diffusion Monte Carlo technique, the phase diagrams of 4He and H2 adsorbed on a (5,5) carbon nanotube were calculated. Both species undergo first-order solid-solid phase transitions with increasing adsorbate density in a single monolayer. The lowest-density solid phase of 4He exhibits supersolid behavior, while the lowest-density solid phase of H2 is normal. The nature of the second layer is also different for 4He and H2, with 4He forming a liquid layer and H2 forming a solid layer at their lowest stable densities.
Article
Engineering, Chemical
Nazam Sakib, Yung P. Koh, Sindee L. Simon
Summary: The absolute heat capacity of a matrix-free polystyrene grafted silica nanocomposite system was investigated using Flash DSC and compared to a neat polystyrene sample. The results showed that the heat capacity of the polymer in the nanocomposite was 8% lower than that of the neat polystyrene, and there was a 15% lower change in heat capacity at the glass transition temperature. Moreover, there was a 2 nm-thick immobile layer of polymer around the nanoparticles, and the glassy layer remained immobile up to 300 degrees C.
POLYMER ENGINEERING AND SCIENCE
(2022)
Article
Polymer Science
Seyyedeh Fatemeh Hosseini, Dariush Souri, Aminallah Nouri Emamzadeh
Summary: This research investigated the thermal properties of oxide glasses with varying MoO3 content using differential scanning calorimetry. It was found that glasses with 20% MoO3 exhibit the highest thermal stability and glass forming tendency, making them optimal for thermomechanical applications and in optical fibers. The study also analyzed the effects of heating rate on glass transition and crystallization temperature, as well as conducted structural investigations using FESEM, EDX and Map.
JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS
(2021)
Article
Materials Science, Ceramics
R. A. Konchakov, A. S. Makarov, G. V. Afonin, J. C. Qiao, M. G. Vasin, N. P. Kobelev, V. A. Khonik
Summary: The high-frequency shear modulus of different metallic glasses was measured and fluctuations in thermal energy near the glass transition were observed, suggesting characteristics of a continuous phase transition.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2023)
Article
Materials Science, Composites
Anup Poudel, Philip Walsh, James Kennedy, Ken Thomas, John G. Lyons, Austin Coffey
JOURNAL OF THERMOPLASTIC COMPOSITE MATERIALS
(2019)
Article
Engineering, Multidisciplinary
Anup Poudel, Nireeksha Karode, Peter McGorry, Philip Walsh, John G. Lyons, James Kennedy, Siobhan Matthews, Austin Coffey
COMPOSITES PART B-ENGINEERING
(2019)
Article
Chemistry, Multidisciplinary
Anup Poudel, Marc A. Fernandez, Syed A. M. Tofail, Manus J. P. Biggs
FRONTIERS IN CHEMISTRY
(2019)
Article
Plant Sciences
Alysha Chua, Laurence Fitzhenry, Cara T. Daly
FRONTIERS IN PLANT SCIENCE
(2019)
Article
Plant Sciences
Alysha Chua, Orla L. Sherwood, Laurence Fitzhenry, Carl K-Y Ng, Paul F. McCabe, Cara T. Daly
FRONTIERS IN PLANT SCIENCE
(2020)
Article
Materials Science, Biomaterials
Ghazal Tadayyon, Katarzyna Krukiewicz, James Britton, Aitor Larranaga, Catalina Vallejo-Giraldo, Marc Fernandez-Yague, Yina Guo, Gemma Orpella-Aceret, Lu Li, Anup Poudel, Manus J. P. Biggs
Summary: This study evaluated the physicomechanical, electrochemical, and active pressure sensing behavior of an electrically conductive and biodegradable PGSU composite reinforced with PEDOT:PSS functionalized CNTs. The incorporation of functionalized CNTs into the biodegradable elastomer resulted in enhanced mechanical strength, conductivity, and tailored matrix biodegradation. PGSU-CNT composites showed optimal sensitivity to applied 1% uniaxial tensile strains, with low cytotoxicity and supporting neuron adhesion, viability, and proliferation in vitro.
MATERIALS SCIENCE AND ENGINEERING C-MATERIALS FOR BIOLOGICAL APPLICATIONS
(2021)
Review
Ophthalmology
Dan Chau Thuy Nguyen, Joseph Dowling, Richie Ryan, Peter McLoughlin, Laurence Fitzhenry
Summary: Therapeutic contact lenses for ocular drug delivery have shown potential in enhancing ocular bioavailability, increasing patient compliance, and reducing side effects, but challenges remain in terms of drug stability and lens properties.
CONTACT LENS & ANTERIOR EYE
(2021)
Article
Pharmacology & Pharmacy
Sangeeta Kumari, Madhuri Dandamudi, Sweta Rani, Elke Behaeghel, Gautam Behl, David Kent, Niall J. O'Reilly, Orla O'Donovan, Peter McLoughlin, Laurence Fitzhenry
Summary: Dry eye disease (DED) is a chronic ocular surface disorder caused by tear film dysfunction, with standard treatment involving lubricants and topical steroids. Researchers have developed an innovative drug delivery system using dexamethasone-loaded NLC formulation as an eye drop for the treatment of DED. The formulation demonstrated high tolerability, internalization capacity, and anti-inflammatory effects in laboratory studies.
Article
Pharmacology & Pharmacy
Madhuri Dandamudi, Peter McLoughlin, Gautam Behl, Sweta Rani, Lee Coffey, Anuj Chauhan, David Kent, Laurence Fitzhenry
Summary: The study developed a nanoparticulate system for topically applied corticosteroids, aiming to reduce the treatment burden for patients and doctors. Surface-modified nanoparticles showed controlled drug release and improved bioavailability, making them potential candidates for treating acquired retinal vasculopathies.
Review
Pharmacology & Pharmacy
Ayah Mohammad Burhan, Butsabarat Klahan, Wayne Cummins, Vanessa Andres-Guerrero, Mark E. Byrne, Niall J. O'Reilly, Anuj Chauhan, Laurence Fitzhenry, Helen Hughes
Summary: This study presents an overview of posterior segment eye diseases, barriers to topical drug delivery, and the application of chitosan in ophthalmic drug delivery. It discusses how mucoadhesive formulations can help enhance drug delivery to the posterior eye segment.
Review
Pharmacology & Pharmacy
Saoirse Casey-Power, Richie Ryan, Gautam Behl, Peter McLoughlin, Mark E. Byrne, Laurence Fitzhenry
Summary: This review provides a comprehensive overview of the use of hyaluronic acid (HA) in ocular drug delivery, focusing on the preparation of HA-based nanoparticles through polyelectrolyte complexation. The physicochemical and biological properties of HA that make it suitable for ocular application are discussed.
Article
Nanoscience & Nanotechnology
Hannah Donnelly, Mark R. Sprott, Anup Poudel, Paul Campsie, Peter Childs, Stuart Reid, Manuel Salmeron-Sanchez, Manus Biggs, Matthew J. Dalby
Summary: There is a clinical demand for viable bone grafts, and tissue engineering strategies using mesenchymal stromal cells (MSCs) to create potential bone-graft materials can help fulfill this need. However, the long culture periods and cost associated with MSC osteogenesis in a clinical setting necessitate the investigation of strategies for optimizing cell production. In this study, a piezoelectric copolymer with a fibronectin network coating is used to enhance MSC adhesion and present growth factors, and electrical stimulation is applied to investigate the MSC response.
ACS APPLIED MATERIALS & INTERFACES
(2023)
