RECON is an algorithm for the rapid reconstruction of molecular charge densities and charge density-based electronic properties of molecules, using atomic charge density fragments precomputed from ab initio wave functions. The method is based on Bader's quantum theory of Atoms in Molecules. A library of atomic charge density fragments has been built in a form that allows for the rapid retrieval of the fragments and molecular assembly.
The rapid detection of pathogens and other microbial contaminants in food and biological samples is critical for ensuring the safety of consumers. Traditional methods to detect foodborne bacteria often rely on time-consuming growth in culture media, followed by isolation, biochemical identification, and sometimes serology. The enzyme-linked immunosorbent assay (ELISA) is the most prevalent antibody assay format used for pathogen detection in foods.
Spinal Cord Injury (SCI) can result in catastrophic loss of function. In the US, 450,000 people live with SCI. Ongoing neuroscience research focuses on ways to improve nervous tissue regeneration, including development of innovative biomaterials. Implantable scaffolds composed of aligned polymer fibers have shown considerable promise in directing regenerating axons in vitro and in vivo. Highly aligned polymer fibers are necessary for neural tissue engineering applications to ensure that axonal extension occurs efficiently through a regenerating environment.
Detecting differences at the cellular level is an ongoing problem which, if successfully addressed, could help solve several prevalent ailments, including cancers and prenatal diseases. Normal tissue function requires appropriate cell positioning and directional motion. This property, known as chirality, can be altered by genetic and environmental factors, leading to, for example, birth defects and tumor formation. Current methods to diagnose cancer are based on biomarkers, imaging, and analysis of tissue specimens.
Standard interfacial polymerization and phase inversion based-membranes are complex, sensitive to small changes, susceptible to residual chlorine, and have rough surfaces enabling unfavorable adsorption. There is an urgent need to improve synthetic membrane filtration performance for systems which recover biofuels in energy production and desalinize sea and brackish water for potable use. This technology includes a new class of tunable, selective, synthetic membranes and process of making thereof, which outperform commercially available membranes.
The cross-section of an X-ray phase shift image is a thousand times greater than that of X-ray attenuation in soft tissue over the diagnostic energy range implying phase imaging can achieve a much higher signal-to-noise ratio and substantially lower radiation dose than attenuation-based X-ray imaging. Grating interferometry is a state of the art X-ray imaging approach, which can simultaneously acquire information of X-ray phase-contrast, dark-field, and linear attenuation. This imaging modality can reveal subtle texture of tissues.
Antibiotic resistance is increasing at an alarming rate, especially in the case of M. tuberculosis. Alternatives to traditional antibiotics are urgently needed to combat these resistant bacteria. Disrupting bacterial, but not mammalian, outer-membrane integrity with peptides is one such strategy to destroy toxic bacteria in a highly selective manner. Design strategies to develop potent, stable antimicrobial peptides stemming from a fundamental understanding of their mechanism of cell disruption are urgently needed.
Time of flight PET (TOF-PET) is an advance over traditional PET that uses the time difference in detection of the two photon events. TOF information provides better localization of the annihilation event along the line formed by each detector pair, resulting in an overall improvement in signal to noise ratio (SNR) of the reconstructed image. This technology uses a direct estimation of the sinogram only from TOF PET data.
Computed Tomography (CT) is an important tool in diagnostic imaging. It plays a key role in diagnosis and intervention. Many advanced CT systems use wide detector arrays, multiple sources, andor very fast rotation speed, for important clinical applications (e.g., coronary artery and whole organ perfusion imaging). As a result, modern CT scanners are expensive and are typically used by major hospitals and clinics in developed countries. Over the past decades, CT systems or methods have been proposed assuming linear translation-based scanning.
Hollow gold nanoparticles, also known as gold nanocages, are effective vehicles for the transport and administration of therapeutic agents, bioactive compounds, biomolecular reagents, biocatalysts, and other molecular compounds of interest. However, better control of the bioavailability of gold nanocages content is needed. The patent describes a gold nanocage with pores, charged ligand molecules covalently bound to internal surfaces of the gold nanocage, and payload molecules electrostatically adsorbed onto the charged ligand molecules.