70 research outputs found
The Electronic Heat Capacity of a Copper?3 Per Cent Zinc Alloy
No full textRecent measurements on a copper-1 per cent. cadmium alloy (Rayne 1956) have shown that its electronic heat capacity differs considerably from that of pure copper. For the alloy</jats:p
A G4MP2 theoretical study on the gas phase enthalpies of formation for various polycyclic aromatic hydrocarbons (PAHs) and other C~10~ through C~20~ unsaturated hydrocarbons
No full textGas phase enthalpies of formation at 298.15 and 1 atm (Δ~f~H~(g),298K~) were calculated using the atomization approach at the G4MP2 composite method level of theory for 86 polyaromatic hydrocarbons (PAHs) and other C~10~ through C~20~ unsaturated hydrocarbons. Where available, good agreement with prior experimental data and/or high level theoretical estimates was obtained. Linear regressions between semiempirical MNDO, MNDO-d, AM1, PM3, RM1, and PM6 estimated Δ~f~H~(g),298K~ and the corresponding G4MP2 values were employed to obtain G4MP2 corrected semiempirical Δ~f~H~(g),298K~ for a suite of 156 C~11~ through C~42~ unsaturated hydrocarbons and PAHs
Visual communication in mapping the life and afterlife of Nicholaus Maniacutius
No full textThis project is a faculty-student research collaboration with Dr. Marie-Therese Champagne and mentored by Prof. Thomas Asmuth. The faculty-student group consists of multidisciplinary students from the Kugelman Honors Program and faculty stemming from the College of Arts, Social Sciences, and Humanities. Respectfully with Prof. Thomas Asmuth from the art department and Dr. Marie-Thérèse Champagne from the history department. The project's research director and author. The students include Rayne Henry, Lucas Alderfer and Isabella Cameron.
The research is a component of Champagne's research of the text, Ad incorrupta pontificum nomina conservanda by Nicolaus Maniacutius, a 12th-century Cistercian scholar from Rome. The text is devoted to preserving the 'proper' naming and lineage of Catholic popes. Ad incorrupta is an important work by Maniacutius; in other writings, he condemns the brutalization of texts and history by faulty scribal transcriptions. Champagne has painstakingly spent years locating surviving copies of Ad incorrupta revealing that the manuscript is located in multiple sites across Europe. The text was reproduced by hand for many institutions in the later Middle Ages, indicating the significance and popularity of the subject
Benchmarking the SPARC software program for estimating solubilities of naphthalene and anthracene in organic solvents
No full textThe SPARC software program was benchmarked for calculating the solubilities of two representative polyaromatic hydrocarbons (PAHs), naphthalene and anthracene, in a range of organic solvents at various temperatures. Although SPARC was able to reasonably approximate the solubilities of naphthalene in some organic solvents, gross errors were obtained for other solvents. For anthracene, poor prediction performance was observed in all solvents considered. Overall, the results suggest that SPARC is currently not suitable for accurately predicting the solubilities of representative PAHs relevant for the petroleum sector in various organic solvents
Structures, enthalpies of formation, and ionization energies for the parent and binary mixed carbon, silicon, nitrogen, and phosphorus cubane derivatives: A G4MP2 theoretical study
No full textGas phase standard state (298.15 K, 1 atm) structures, enthalpies of formation, and ionization energies (IEs) were calculated at the G4MP2 composite method level of theory for the parent and binary mixed carbon, silicon, nitrogen, and phosphorus cubane derivatives. Increasing nitrogen content increases the enthalpies of formation for the carbon-nitrogen, nitrogen-phosphorus, and silicon-nitrogen binary cubanes, with the opposite enthalpies of formation trend for increasing phosphorus content within the carbon-phosphorus, nitrogen-phosphorus, and silicon-phosphorus derivatives. Varying carbon/silicon content in the carbon-silicon cubanes results in no general trends for enthalpies of formation. Isomerization enthalpies within the homolog groups having more than one isomer vary widely with atomic composition and substitution patterns. Increasing nitrogen content of the carbon-nitrogen and nitrogen-phosphorus derivatives increases the IE, increasing silicon content in the carbon-silicon cubanes and phosphorus content of the carbon-phosphorus cubanes decreases the IE, while no IE clear trends are evident based on relative atomic content for the silicon-nitrogen and silicon-phosphorus compounds. The binary mixed carbon, silicon, nitrogen, and phosphorus cubane derivatives are predicted to display potentially tunable thermodynamic stability and redox behavior depending on the atom identities and relative positions
Correction: Turn-on fluorescent glucose transport bioprobe enables wash-free real-time monitoring of glucose uptake activity in live cells and small organisms
No full textCorrection for “Turn-on fluorescent glucose transport bioprobe enables wash-free real-time monitoring of glucose uptake activity in live cells and small organisms” by Monica S. Hensley et al., RSC Chem. Biol., 2025, 6, 987–995, https://doi.org/10.1039/D4CB00239C.
The authors regret that two contributors, Micaela Rayne Geborkoff and Professor Dr Thomas Werner, were inadvertently omitted from the original author list of this article. Both individuals made significant contributions to the research reported.
Micaela Rayne Geborkoff was involved in the design, planning, and execution of the Drosophila experiments, specifically in the growth and treatment of fruit fly larvae. Professor Dr Thomas Werner provided laboratory resources and supervision, and played a key role in the experimental design and execution of the in vivo work, particularly contributing to the results presented in Fig. 7
Performance of the M062X density functional against the ISOL set of benchmark isomerization energies for large organic molecules
No full textGas phase standard state (298.15 K, 1 atm) isomerization energies were calculated using the M062X functional with the QZVP, 6-311++G(d,p), 6-311++G(2d,2p), and cc-pVTZ basis sets against the 24 reactions in the ISOL set of benchmark isomerization energies for large organic molecules. The M062X functional appears to offer comparable isomerization energy prediction performance to the best performing currently available dispersion corrected functionals against this benchmark dataset
The Heat Capacity of Copper Below 4?2 °K
No full textThe heat capacity of copper has been measured below 4?2 �K with a calorimeter using a mechanical heat switch. The effects of changes in the chemical and physical state of the copper have been investigated with a view to understanding discrepancies between the results of previous workers.</jats:p
Visually communicating the life and afterlife of Nicolaus Maniacutius through the medieval reproduction of his text, Ad incorrup
No full textThis research project originated as a faculty-student research collaboration with Dr. Marie--Thèrése Champagne. The research is a component of Champagne's book project, tracing the circulation of one text throughout Europe over about 150 years in the High Middle Ages. The text, Ad incorrupta pontificium nomina conservanda, was written by Nichlaus Maniacutius, a 12th century Cistercian scholar from Rome. The text is devoted to preserving the 'proper' naming and lineage of the Catholic popes. Dr. Champagne has spent years locating surviving copies of Ad incorrupta, revealing that the manuscripts are multiple sites across Europe.
Last spring, a small group and I began this project, attempting to reflect the, then sixteen, now twenty versions of Maniacutius's text through legend symbols and an accurate contour map of Europe to be used on an ArcGIS story map
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