27 papers · ranked by Valyu relevance
Zbigniew H. Stachurski
Mechanical, optical, magnetic and electronic properties of amorphous materials hold great promise towards current and emergent technologies. We distinguish at least four categories of amorphous (glassy) materials: (i) metallic; (ii) thin films; (iii) organic and inorganic thermoplastics; and (iv) amorphous permanent…
J. K. Christie
Amorphous materials have no long-range order in their atomic structure. This makes much of the formalism for the study of crystalline materials irrelevant, and so elucidating their structure and properties is challenging. The use of computational methods is a powerful complement to experimental studies, and in this…
Yuanzheng Yue
It is known that both natural and synthetic solid materials can be classified into three categories: (i) crystalline solids, (ii) amorphous solids and (iii) crystalline-amorphous solids. Crystalline materials are also called ordered materials or crystals, since they feature long-range ordered structure, i.e. the…
Michael C. Rowe, Brendon J. Brewer
AMORPH utilizes a new Bayesian statistical approach to interpreting X-ray diffraction results of samples with both crystalline and amorphous components. AMORPH fits X-ray diffraction patterns with a mixture of narrow and wide components, simultaneously inferring all of the model parameters and quantifying their…
Anshul D. S. Parmar, Srikanth Sastry
A wide range of materials can exist in microscopically disordered solid forms, referred to as amorphous solids or glasses. Such materials – oxide glasses and metallic glasses, to polymer glasses, and soft solids such as colloidal glasses, emulsions and granular packings – are useful as structural materials in a variety…
Ana M. Belenguer
The pharmaceutical industry cares about reducing toxic side effects of drugs in oral formulation. The best solution is to reduce the drug dose. To do so, drugs are required to have high aqueous solubility to ensure good bioavailability. Amorphous drugs are much more water soluble than their crystalline counterparts…
Ann Newman, George Zografi
An increased interest in using amorphous solid forms in pharmaceutical applications to increase solubility, dissolution, and bioavailability has generated a need for better characterization of key properties, such as the glass transition (Tg) temperature. Although many laboratories measure and report this value, the…
Junjie Wu, Timothy J. Rupert
Amorphous solids exhibit structural short-range order despite lacking long-range crystalline order, with this structural descriptor found to be important for determining mechanical properties. Nanobeam electron diffraction offers a potential route for experimental characterization of structural short-range order, yet…
Shaho Abdalla, Andrew J. Archer, László Gránásy, Gyula I. Tóth
We investigate bulk thermodynamic and microscopic structural properties of amorphous solids in the framework of the phase-field crystal (PFC) model. These are metastable states with a non-uniform density distribution having no long-range order. From extensive numerical simulations we determine the distribution of free…
Angela F Harper, Steffen P Emge, Pieter C M M Magusin, Clare P Grey + 1 more
Advancing the next generation of materials for solid-state devices requires an understanding of their underlying electronic structure; yet the amorphous nature of many materials hinders progress in creating an atomic-level model. One such material is amorphous alumina, which is used to enhance performance in electronic…
Nicolas Castel, François‐Xavier Coudert
There is an increasing interest in the amorphous states of metal-organic frameworks (MOFs) and porous coordination polymers, which can be produced by pressure-induced amorphization, temperature-induced amorphization, melt-quenching, ball milling, irradiation, etc. They can exhibit useful physical and chemical…
Ludovic Berthier, M. D. Ediger
The simplest way to make glass is to cool a material from its liquid state quickly enough that nucleation and growth of a crystalline phase do not happen. When the transition to the crystal is avoided, particle motion inside the supercooled liquid slows dramatically with decreasing temperature. Glassblowers use that…
Luke D. DeLion, Sophia R. Dasaro, Mojhdeh Baghbanbashi, Dmitry Y. Zemlyanov + 1 more
Vodobatinib (VBN) is a weakly basic (pK_a_ ≈ 2.3), anticancer treatment with poor enteric solubility and low oral bioavailability. This study demonstrates how an emerging polymeric amorphization technique, slurry conversion, can yield amorphous drug-polymer salts with enhanced dissolution rates. The technique had not…
Miguel O. Jara, Zachary N. Warnken, Robert O. Williams
We developed an amorphous solid dispersion (ASD) of the poorly water-soluble molecule niclosamide that achieved more than a 2-fold increase in bioavailability. Notably, this niclosamide ASD formulation increased the apparent drug solubility about 60-fold relative to the crystalline material due to the generation of…
Nicolas Castel, Dune André, Connor Edwards, Jack D. Evans + 1 more
The detailed understanding of the microscopic structure of amorphous phases of metal-organic frameworks (MOFs) remains a widely open question: characterization of these systems is very difficult, both from the experimental and computational point of view. In molecular simulations, approaches have been proposed that…
Madhusmita Tripathy, Anand Srivastava, Srikanth Sastry, Madan Rao
We explore current ideas around the representation of a protein as an amorphous material, in turn represented by an abstract graph 𝒢 with edges weighted by elastic stiffnesses. By embedding this graph in physical space, we can map every graph to a spectrum of conformational fluctuations and responses (as a result of…
Teemu Tomberg, Ilona Hämäläinen, Clare Strachan, Bert van Veen
This study reports the application of in situ stimulated Raman scattering (SRS) microscopy for real-time chemically-specific imaging of dynamic phase phenomena in amorphous solid dispersions (ASD). Using binary ritonavir and poly(vinylpyrrolidone-vinyl acetate) films with different drug loadings (0-100% w/w) as model…
Aldona Minecka, Krzysztof Chmiel, Karolina Jurkiewicz, Barbara Hachuła + 8 more
'Barbara Hachuła' 'Rafał Łunio' 'Daniel Żakowiecki' 'Kinga Hyla' 'Bartłomiej Milanowski' 'Kajetan Koperwas' 'Kamil Kamiński' 'Marian Paluch' 'Ewa Kamińska'] In this paper, several experimental techniques [X-ray diffraction, differential scanning calorimetry (DSC), thermogravimetry, Fourier transform infrared…
Michael T. Ruggiero, Marcin Krynski, Eric Ofosu Kissi, Juraj Sibik + 11 more
The fundamental origins surrounding the dynamics of disordered solids near their characteristic glass transitions continue to be fiercely debated, even though a vast number of materials can form amorphous solids, including small-molecule organic, inorganic, covalent, metallic, and even large biological systems. The…
Wei‐Ting Yeh, Misaki Ozawa, Kunimasa Miyazaki, Takeshi Kawasaki + 1 more
'Ludovic Berthier'] We perform molecular dynamics simulations to investigate the effect of a glass preparation on its yielding transition under oscillatory shear. We use swap Monte Carlo to investigate a broad range of glass stabilities from poorly annealed to highly stable systems. We observe a qualitative change in…
Sumit Mukesh, Goutam Mukherjee, Ridhima Singh, Nathan Steenbuck + 4 more
The propensity of poorly water-soluble drugs to aggregate at supersaturation impedes their bioavailability. The emergence of supersaturated amorphous drug-salt-polymer systems provides a new approach to this problem. However, the effects of polymers on drug-drug interactions in aqueous phase are largely unexplored and…
Michael I. Ojovan, Dmitri V. Louzguine-Luzgin, George Wardeh, Michele Bacciocchi
'Michele Bacciocchi'] We utilise displacement analysis of Cu-atoms between the chemical bond-centred Voronoi polyhedrons to reveal structural changes at the glass transition. We confirm that the disordered congruent bond lattice of Cu loses its rigidity above the glass transition temperature (Tg) in line with…
Authors not listed
The amorphous/crystalline (A/C) assembly in molecular solids has a direct bearing on their attributes and applications, including mechanical, pharmaceutical, electronic and photophysical. However, a precise understanding of the molecular features and interactions that govern such assemblies has rarely been realized.…
Talia A. Shmool, J. Axel Zeitler
The mechanical properties of an amorphous copolymer are directly related to the dynamic processes occurring at the molecular level. Poly lactic-co-glycolic acid (PLGA) is a biodegradable co-polymer, and in this work we investigate the dynamics of PLGA and its glass transition behaviour by performing variable…
Chengchen Wu, Janeth Catalina Manjarrez-González, Muntaqa Choudhury, Noor Shamkhi + 3 more
We combine Lattice Structured Illumination Microscopy (diSIM with ∼60 nm resolution), Lattice Light-sheet microscopy and Fluorescence Recovery After Photobleaching (FRAP) to explore 53BP1 dynamics in Retinal Pigment Epithelial cells. 53BP1 forms liquid condensates during double-strand DNA repair, long-range DNA…
Christopher DelRe, Boyce Chang, Ivan Jayapurna, Aaron Hall + 3 more
Embedding catalysts inside of plastics affords accelerated chemical modification with programmable latency and pathways. Nanoscopically embedded enzymes can lead to near complete degradation of polyesters via chain-end mediated processive depolymerization. The overall degradation rate and pathways have a strong…
Madeline Harper, Uma Nudurupati, Riley Workman, Taras Lakoba + 2 more
Using amylin(20-29) as a model system, we demonstrate that experimental constraints measured by Raman spectroscopy can be used to determine the molecular structure of amyloid fibrils. We employ polarized Raman spectroscopy measurements and the conformationally-sensitive Amide III3 mode to determine the distributions of…