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Kinetic Monitoring and Fourier-Transform Infrared (FTIR) Spectroscopy of the Green Oxidation of (-)-Menthol to (-)-Menthone

Surapaneni et al. | Aug 06, 2020

Kinetic Monitoring and Fourier-Transform Infrared (FTIR) Spectroscopy of the Green Oxidation of (-)-Menthol to (-)-Menthone

In an effort to reduce the production of hazardous substances, green chemistry aims to make chemical processes more sustainable. One way to do so is changing solvents in chemical reactions. Here, authors assessed different “green” solvents on the oxidation of (-)-menthol to (-)-menthone using Fourier-transform infrared (FTIR) spectroscopy, optimizing the solvent system for this reaction.

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Impact of carbon number and atom number on cc-pVTZ Hartree-Fock Energy and program runtime of alkanes

Pan et al. | Mar 06, 2024

Impact of carbon number and atom number on cc-pVTZ Hartree-Fock Energy and program runtime of alkanes
Image credit: The authors

It's time-consuming to complete the calculations that are used to study nuclear reactions and energy. To uncover which computational chemistry tools are useful for this challenge, Pan, Vaiyakarnam, Li, and McMahan investigated whether the Python-based Simulations of Chemistry Framework’s Hartree-Fock (PySCF) method is an efficient and accurate way to assess alkane molecules.

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Breaking the Ice: A Scientific Take on the Ice Melting Abilities of Household Salts

Sehgal et al. | Dec 04, 2017

Breaking the Ice: A Scientific Take on the Ice Melting Abilities of Household Salts

The use of salt to melt ice is a common and important practice to keep roadways safe during winter months. However, various subtypes of salt differ in their chemical and physical properties, as well as their environmental impact. In this study, the authors measure the effectiveness of different salts at disrupting ice structures and identify calcium chloride as the most effective.

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Beeing sustainable: Honey as a bioindicator for pollution

Donnellan et al. | Oct 06, 2021

Beeing sustainable: Honey as a bioindicator for pollution

In this study, Donnellan and colleagues investigated how environmental pollution may be affecting honey samples from Chicago apiaries. They found no significant correlation between heavy metal concentration in honey to distance from local industries, suggesting a minimal effect of proximity to industrial pollution on honey contamination.

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Effects of various alkaline carbonic solutions on the growth of the freshwater algae Chlorophyceae

Jani et al. | Aug 11, 2023

Effects of various alkaline carbonic solutions on the growth of the freshwater algae Chlorophyceae
Image credit: Jordan Whitfield

Modern day fossil fuels are prone to polluting our environment, which can provide major habitat loss to many animals in our ecosystems. Algae-based biofuels have become an increasingly popular alternative to fossil fuels because of their sustainability, effectiveness, and environmentally-friendly nature. To encourage algae growth and solidify its role as an emerging biofuel, we tested basic (in terms of pH) solutions on pond water to determine which solution is most efficient in inducing the growth of algae.

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Error mitigation of quantum teleportation on IBM quantum computers

Chen et al. | May 15, 2023

Error mitigation of quantum teleportation on IBM quantum computers

Quantum computers can perform computational tasks beyond the capability of classical computers, such as simulating quantum systems in materials science and chemistry. Quantum teleportation is the transfer of quantum information across distances, relying on entangled states generated by quantum computing. We sought to mitigate the error of quantum teleportation which was simulated on IBM cloud quantum computers.

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The relationship between macroinvertebrates, water quality, and the health of Stevens Creek

Li et al. | Aug 18, 2021

The relationship between macroinvertebrates, water quality, and the health of Stevens Creek

Stevens Creek, which flows through Santa Clara County in California, provides a crucial habitat for federally designated threatened steelhead trout, with a portion of the trout’s diet being dependent on the presence and abundance of macroinvertebrates that inhabit the creek. In this article, the authors investigate how the water chemistry within the creek was associated with the abundance and diversity of macroinvertebrates, and subsequently the creek’s health. They conduct qualitative analysis of macroinvertebrates and water quality to obtain a general understanding of the health of Stevens Creek.

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Modeling Hartree-Fock approximations of the Schrödinger Equation for multielectron atoms from Helium to Xenon using STO-nG basis sets

Gangal et al. | Oct 05, 2023

Modeling Hartree-Fock approximations of the Schrödinger Equation for multielectron atoms from Helium to Xenon using STO-nG basis sets

The energy of an atom is extremely useful in nuclear physics and reaction mechanism pathway determination but is challenging to compute. This work aimed to synthesize regression models for Pople Gaussian expansions of Slater-type Orbitals (STO-nG) atomic energy vs. atomic number scatter plots to allow for easy approximation of atomic energies without using computational chemistry methods. The data indicated that of the regressions, sinusoidal regressions most aptly modeled the scatter plots.

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