![Solving the Schrödinger equation computationally using the Lanczos algorithm](/rails/active_storage/representations/proxy/eyJfcmFpbHMiOnsibWVzc2FnZSI6IkJBaHBBbE1PIiwiZXhwIjpudWxsLCJwdXIiOiJibG9iX2lkIn19--4c60a732b9c498022d0c48909ae267d468270b31/eyJfcmFpbHMiOnsibWVzc2FnZSI6IkJBaDdCem9MWm05eWJXRjBTU0lJY0c1bkJqb0dSVlE2QzNKbGMybDZaVWtpRFRZd01IZzJNREErQmpzR1ZBPT0iLCJleHAiOm51bGwsInB1ciI6InZhcmlhdGlvbiJ9fQ==--33b2b080106a274a4ca568f8742d366d42f20c14/feature.png)
The authors use the Lanczos algorithm to computationally solve the Schrodinger equation for 2D potentials with a Python program
Read More...Solving the Schrödinger equation computationally using the Lanczos algorithm
The authors use the Lanczos algorithm to computationally solve the Schrodinger equation for 2D potentials with a Python program
Read More...A novel bioreactor system to purify contaminated runoff water
In this study, the authors engineer a cost-effective and bio-friendly water purification system using limestone, denitrifying bacteria, and sulfate-reducing bacteria. They evaluated its efficacy with samples from Eastern PA industrial sites.
Read More...Intra and interspecies control of bacterial growth through extracellular extracts
The study discusses the relationship between bacterial species and the human gut microbiome, emphasizing the role of quorum sensing molecules in bacterial communication and its implications for health. Authors investigated the impact of bacterial supernatants from Escherichia coli (E. coli) on the growth of new E. coli and Enterobacter aerogenes (E. aerogenes) cultures.
Read More...Determining degree of dissociation through conductivity
The authors looked at how molarity impacts the degree to which ionic compounds dissociate in solution. They found that lower molarities led to decreased conductivity of solutions in a manner that did not follow the theoretical predictions.
Read More...Strain-selective in vitro and in silico structure activity relationship (SAR) of N-acyl β-lactam broad spectrum antibiotics
In this study, the authors investigate the antibacterial efficacy of penicillin G and its analogs amoxicillin, carbenicillin, piperacillin, cloxacillin, and ampicillin, against four species of bacteria. Results showed that all six penicillin-type antibiotics inhibit Staphylococcus epidermidis, Escherichia coli, and Neisseria sicca with varying degrees of efficacy but exhibited no inhibition against Bacillus cereus. Penicillin G had the greatest broad-spectrum antibacterial activity with a high radius of inhibition against S. epidermidis, E. coli, and N. sicca.
Read More...High-throughput virtual screening of novel dihydropyrimidine monastrol analogs reveals robust structure-activity relationship to kinesin Eg5 binding thermodynamics
As cancer continues to take millions of lives worldwide, the need to create effective therapeutics for the disease persists. The kinesin Eg5 assembly motor protein is a promising target for cancer therapeutics as inhibition of this protein leads to cell cycle arrest. Monastrol, a small dihydropyrimidine-based molecule capable of inhibiting the kinesin Eg5 function, has attracted the attention of medicinal chemists with its potency, affinity, and specificity to the highly targeted loop5/α2/α3 allosteric binding pocket. In this work, we employed high-throughput virtual screening (HTVS) to identify potential small molecule Eg5 inhibitors from a designed set of novel dihydropyrimidine analogs structurally similar to monastrol.
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The authors test the usefulness of zinc oxide microparticles relative to zinc oxide nanoparticles as antibacterial agents.
Read More...Taft linear free-energy relationships in the biocatalytic hydrolysis of sterically hindered nitrophenyl ester substrates
This study applies Taft linear free-energy relationships to study kinetic trends in the enzymatic hydrolysis of sterically hindered substrates.
Read More...Estimation of cytokines in PHA-activated mononuclear cells isolated from human peripheral and cord blood
In this study, the authors investigated the time-dependent cytokine secretion ability of phyto-hemagglutinin (PHA)-activated T cells derived from human peripheral (PB) and cord blood (CB). They hypothesized that the anti-inflammatory cytokine, IL-10, and pro-inflammatory cytokine, TNFα, levels would be higher in PHA-activated T cells obtained from PB as compared to the levels obtained from CB and would decrease over time. Upon PHA-activation, the IL-10 levels were relatively high while the TNFα levels decreased, making these findings applicable in therapeutic treatments e.g., rheumatoid arthritis, psoriasis, and organ transplantation.
Read More...Analyzing the effects of multiple adhesives on elastic collisions and energy loss in a Newton’s Cradle
The energy conservation in a system of objects in collision depends on the elasticity of the objects and environmental factors such as air resistance. One system that relies heavily on elasticity is the Newton’s Cradle. We aimed to determine the extent to which these adhesives serve to mitigate or worsen the chaotic movements and elastic collisions.
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