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Articles 1 - 30 of 82
Full-Text Articles in Physical Sciences and Mathematics
On The Exact Helium Wave Function Expansion, Ii, An Exponential Modulated Form, Carl W. David
On The Exact Helium Wave Function Expansion, Ii, An Exponential Modulated Form, Carl W. David
Chemistry Education Materials
A 11S wave function’s expansion for 2 electron atoms and ions is proposed employing an appropriate exponential factor and Fock’s logarithmic terms. The leading coefficient’s are presented.
Quantitative Analysis Of The Proteomic Selectivity Of Acidic Reductive Alkylation Of Peptides, Connor Jewell
Quantitative Analysis Of The Proteomic Selectivity Of Acidic Reductive Alkylation Of Peptides, Connor Jewell
Honors Scholar Theses
Proteome quantification is a complicated process which takes on many methods, usually involving peptide derivatization and complex mass spectral analysis. Scores of techniques have been utilized to address issues of incomplete quantification. The implementation of IPTL labeling, or isobaric peptide terminal labeling, is a recent addition to the literature, which exploits the supposedly selective labeling of N-termini of tryptic peptides from the C-termini of lysine residues due to differences in basicity. This method has been shown to improve quantitation by reducing spectral complexity and provide more accurate and reproducible results on peptide abundance. Investigations into the selectivity of terminal derivatization …
Modeling Accuracy Matters: Aligning Molecular Dynamics With 2d Nmr Derived Noe Restraints, Milan Patel
Modeling Accuracy Matters: Aligning Molecular Dynamics With 2d Nmr Derived Noe Restraints, Milan Patel
Honors Scholar Theses
Among structural biology techniques, Nuclear Magnetic Resonance (NMR) provides a holistic view of structure that is close to protein structure in situ. Namely, NMR imaging allows for the solution state of the protein to be observed, derived from Nuclear Overhauser Effect restraints (NOEs). NOEs are a distance range in which hydrogen pairs are observed to stay within range of, and therefore experimental data which computational models can be compared against. To that end, we investigated the effects of adding the NOE restraints as distance restraints in Molecular Dynamics (MD) simulations on the 24 residue HP24stab derived villin headpiece subdomain to …
Wrack Lines Volume 22, Number 2, Fall-Winter 2022-2023, Nancy C. Balcom, Juliana Barrett, Judy Benson, Ben Crnic, Sto Len
Wrack Lines Volume 22, Number 2, Fall-Winter 2022-2023, Nancy C. Balcom, Juliana Barrett, Judy Benson, Ben Crnic, Sto Len
Wrack Lines
With the theme, "Looking Ahead: People and Projects Shaping the Future," the Fall-Winter 2022-2023 leads with the first in what will be a series of articles about offshore wind development impacting Connecticut. That is followed by the inspiring story of how a dying forest was replanted for climate resilience. Next, a profile of longtime marine educator Tim Visel tells about his lasting impact on Connecticut schools and students. Lastly, the complex challenge of dealing with Contaminants of Emerging Concern is examined, with descriptions of how Sea Grant is involved and the particularly troublesome group of substances called PFAS.
On The Exact Helium Wave Function Expansion, Carl W. David
On The Exact Helium Wave Function Expansion, Carl W. David
Chemistry Education Materials
A 1S wave function’s expansion for 2 electron atoms and ions is obtained and the leading coefficients are reported.
The Phase Diagram Of A Non-Ideal Mixture’S P − V − X 2-Component Gas=Liquid Representation, Including Azeotropes, Carl W. David
The Phase Diagram Of A Non-Ideal Mixture’S P − V − X 2-Component Gas=Liquid Representation, Including Azeotropes, Carl W. David
Chemistry Education Materials
The liquid=vapor two phase p−v−x diagram is constructed for non-ideal solutions including azeotropes.
The Van Der Waals Mixture Construct Of A P-X Two-Component Gas=Liquid Phase Diagram, Carl W. David
The Van Der Waals Mixture Construct Of A P-X Two-Component Gas=Liquid Phase Diagram, Carl W. David
Chemistry Education Materials
The van der Waals model, when applied to a mixture, is used to construct tie-line points on a liquid=vapor two phase p-x diagram.
Reeling In New Antibiotics: Synthesis And Antimicrobial Susceptibility Testing Of Zinc-Binding Clavanins From Styela Clava (Sea Squirt), Eduardo Badillo-Colberg
Reeling In New Antibiotics: Synthesis And Antimicrobial Susceptibility Testing Of Zinc-Binding Clavanins From Styela Clava (Sea Squirt), Eduardo Badillo-Colberg
Honors Scholar Theses
Clavanins have been a quite rarely studied antimicrobial peptide (AMP) family. Though the data in the few studies published on the matter and in theoretical experimental data presented by the Wang lab in their peptide library creation [14], in that the members of this family could potentially be quite effective novel antimicrobial candidates. Among those that have been targets of studies, Clavanin A has been at the forefront of this endeavor of finding effective novel antimicrobial peptides[14]. In these aforementioned studies, Clavanin A has been shown to be quite effective against many different bacterial strains, which begs the question as …
H-Atom Ladder Operator Revisited, Carl W. David
H-Atom Ladder Operator Revisited, Carl W. David
Chemistry Education Materials
An error laden note (Am. J. Phys., 34, 984,(1966)) concerning the ladder operator solution to the hydrogen atom electronic energy levels is corrected.
Toxicity Analysis Of 2’-Deoxyguanosine-N2-6-Aminopyrene And 2’-Deoxyguanosine-N2-8-Aminopyrene In Escherichia Coli, Emily Janeiro
Toxicity Analysis Of 2’-Deoxyguanosine-N2-6-Aminopyrene And 2’-Deoxyguanosine-N2-8-Aminopyrene In Escherichia Coli, Emily Janeiro
Honors Scholar Theses
Cancer is a disease that stems from genomic errors that are not corrected properly by cellular repair mechanisms. Errors are more likely to form when organisms are subjected to DNA damage by mutagenic compounds. 1-Nitropyrene, a nitrated polycyclic aromatic hydrocarbon (nitro-PAH), has been shown to be a potent mutagen that causes cancer. Nitro-PAHs can arise from diesel exhaust products in the environment. Out of all nitro-PAHs, 1-nitropyrene is found in largest quantities in the environment. This poses a great need to study its effects biochemically in order to address its toxicity in DNA. Other nitropyrene derivatives, including 1,6-dinitropyrene and 1,8-dinitropyrene, …
The Van Der Waals Fluid’S Liquid Vapor Coexistence Locus, Using Maxima/Gnuplot, Carl W. David
The Van Der Waals Fluid’S Liquid Vapor Coexistence Locus, Using Maxima/Gnuplot, Carl W. David
Chemistry Education Materials
The Maxima/Gnuplot code for plotting the van der Waals locus of liquid and vapor molar volumes as a function of pressure and temperature (all reduced) is presented.
Heat And Work, The First Law Of Thermodynamics From The Boltzmann Pov, Carl W. David
Heat And Work, The First Law Of Thermodynamics From The Boltzmann Pov, Carl W. David
Chemistry Education Materials
The First Law of Thermodynamics is discussed in terms of the Boltzmann distribution.
Spontaneity, Carl W. David
Spontaneity, Carl W. David
Chemistry Education Materials
An attempt is made to better understand thermodynamic spontaneity.
The Legendre Transformation For Beginning Thermodynamics Students, Carl W. David
The Legendre Transformation For Beginning Thermodynamics Students, Carl W. David
Chemistry Education Materials
The Legendre Transform, as traditionally taught in introductory Physical Chemistry classes, can be better understood with some simple examples, which are discussed herein.
Infra-Red Microwave Spectra, Overtones, Degeneracy And Thermal Populations All In One Diagram, Carl W. David
Infra-Red Microwave Spectra, Overtones, Degeneracy And Thermal Populations All In One Diagram, Carl W. David
Chemistry Education Materials
An old drawing, which had an error in it, is re-presented (corrected) for understanding the relationships in diatomic vibrational-rotational interactions at the introductory level.
The Commutator Of The Runge Lenz Vector With Other Operators Of The H-Atoms Physics Using Maxima, Carl W. David
The Commutator Of The Runge Lenz Vector With Other Operators Of The H-Atoms Physics Using Maxima, Carl W. David
Chemistry Education Materials
Commutators of components of the Runge-Lenz vector and constants of the motion and ladder operators for the H-atom problem are evaluated using brute force calculus and Maxima.
Errata For Manuscript #34, Carl W. David, Jan Siroky
Errata For Manuscript #34, Carl W. David, Jan Siroky
Chemistry Education Materials
An error in manuscript 34 of this collection concerning the Laplacian in spherical polar coordinates is corrected.
The Van Der Waals Fluid's Liquid Vapor Coexistence Locus, Carl W. David
The Van Der Waals Fluid's Liquid Vapor Coexistence Locus, Carl W. David
Chemistry Education Materials
The liquid vapor coexistence locus is plotted from the analytical solution to the Maxwell construction for the van der Waals fluid.
Avoiding The Cubic Equation In Finding The Van Der Waals Fluid's Vapor Pressures, Carl W. David
Avoiding The Cubic Equation In Finding The Van Der Waals Fluid's Vapor Pressures, Carl W. David
Chemistry Education Materials
The van der Waals coexistence curve of liquid and vapor volumes as functions of the temperature (all in reduced coordinates) as well as the correspponding vapor pressures at these temperatures, is obtained using SageMath, a symbolic calculus/algebra computer programming language.The lack of correspondence of the coexistence locus’ analytical form as obtained herein and those of Lekner remains disconcerting.
Revisiting The Fenceplot For The Maxwell Construction Of A Van Der Waals Fluid, Carl W. David
Revisiting The Fenceplot For The Maxwell Construction Of A Van Der Waals Fluid, Carl W. David
Chemistry Education Materials
An earlier published plot intended to better explain the Maxwell construction of the vapor pressure construct for van der Waals fluids is improved using Inkscape.
Verwiebe's "3-D" Ice Phase Diagram Reworked, Carl W. David
Verwiebe's "3-D" Ice Phase Diagram Reworked, Carl W. David
Chemistry Education Materials
The two dimensional phase diagrams of the various forms of ice are difficult to read and understand. A ``3D'' versions appearing ~80 years ago helps understanding of the phases and their inter-conversion into other phases.
Is The Maxwell Construction Correct In Predicting The Van Der Waals Fluid's Vapor Pressure?, Carl W. David
Is The Maxwell Construction Correct In Predicting The Van Der Waals Fluid's Vapor Pressure?, Carl W. David
Chemistry Education Materials
The Maxwell construction yields a pressure value which traditionally been associated with the vapor pressure. Here, the question is answered whether or not the two phases represented by the construct are indeed in equilibrium.
Fugacity Examples 2: The Fugacity Of A “Hard-Sphere” Semi-Ideal Gas And The Van Der Waals Gas, Carl W. David
Fugacity Examples 2: The Fugacity Of A “Hard-Sphere” Semi-Ideal Gas And The Van Der Waals Gas, Carl W. David
Chemistry Education Materials
The fugacity of the van der Waals gas is obtained after a review of the concept itself.
Errata For Tensor Of Moment Of Inertia (52) Manuscript, Carl W. David
Errata For Tensor Of Moment Of Inertia (52) Manuscript, Carl W. David
Chemistry Education Materials
An error in the manuscript (52) of this series is noted
Plotting The Van Der Waals Fluid In Pseudo-3d And The Maxwell Construction, Carl W. David
Plotting The Van Der Waals Fluid In Pseudo-3d And The Maxwell Construction, Carl W. David
Chemistry Education Materials
The van der Waals (from his thesis of 1873) equation is a cubic in the molar volume. Plotting the equation in pseudo 3 dimensions is quite simple to do, but including tie lines is quite difficult. Employing the solutions to the cubic van der Waals equation, the tie lines are readily available and can be easily incorporated into the aforementioned 3D plots.
Methodology Development In Green Chemistry: Oxoammonium Salt Oxidations And Fluoroform Incorporation, Rebecca J. Wiles
Methodology Development In Green Chemistry: Oxoammonium Salt Oxidations And Fluoroform Incorporation, Rebecca J. Wiles
University Scholar Projects
Central to the advancement of small molecule synthesis is the ability to develop methodologies that reimagine well known chemistry in a new, environmentally friendly manner. In this thesis two central themes emerge: oxoammonium salt oxidations and trifluoromethyl incorporation using fluoroform gas. Several projects have been developed surrounding oxoammonium salt chemistry, which are featured by their mild conditions, ease of use, and the metal-free, recyclable nature of the oxidant. Trifluoromethylation using fluoroform gas finds its utility in the use of a potent greenhouse gas waste product as a benchtop reagent.
Green Chemistry As A Tool For Understanding The Toxic Substances Control Act: A Lecture Module For Undergraduate Students, Molly R. Blessing
Green Chemistry As A Tool For Understanding The Toxic Substances Control Act: A Lecture Module For Undergraduate Students, Molly R. Blessing
Honors Scholar Theses
The Toxic Substances Control Act (TSCA) is the central form of chemical regulation existent in the United States today, yet scientists are often unaware or uncertain of its provisions. Violations of TSCA by unknowing chemists set industry and government unnecessarily at odds. A lecture on TSCA was developed for undergraduate students that uses the concept of green chemistry to promote interest and incentivize learning. Green chemistry methods are cleaner and less wasteful than traditional chemical ones, and many companies using them are at the forefront of technological innovation. The lecture explains both green chemistry and TSCA, includes company case studies, …
Methodology Development In Green Chemistry: Oxoammonium Salt Oxidations And Fluoroform Incorporation, Rebecca J. Wiles
Methodology Development In Green Chemistry: Oxoammonium Salt Oxidations And Fluoroform Incorporation, Rebecca J. Wiles
Honors Scholar Theses
Central to the advancement of small molecule synthesis is the ability to develop methodologies that reimagine well known chemistry in a new, environmentally friendly manner. In this thesis two central themes emerge: oxoammonium salt oxidations and trifluoromethyl incorporation using fluoroform gas. Several projects have been developed surrounding oxoammonium salt chemistry, which are featured by their mild conditions, ease of use, and the metal-free, recyclable nature of the oxidant. Trifluoromethylation using fluoroform gas finds its utility in the use of a potent greenhouse gas waste product as a benchtop reagent.
Synthesis, Characterization, And Catalytic Applications Of Porous Transition-Metal Oxide Systems For The Conversion Of Biomass, Anton Gudz
Honors Scholar Theses
The development of innovative strategies and environmentally-friendly resources for the sustainable production of fuels and chemicals from renewable materials has recently received much interest in the scientific world. Among such resources, biomass has enormous potential as a raw material for generation of green fine chemicals to replace the petroleum feedstocks currently in place. Biomass derived carbohydrates can be converted into such valuable platform chemicals as levulinates, 5-hydroxymethyl furfural (HMF), and lactates. In order to catalyze the biomass conversion process, porous transition-metal oxide catalytic systems have been developed in this study. High catalytic activities and potential for reusability of such systems …
The Van Der Waals Equation As A Cubic, Carl W. David
The Van Der Waals Equation As A Cubic, Carl W. David
Chemistry Education Materials
The van der Waals (from his thesis of 1873) equation is a cubic in the molar volume. Since this is the first equation of state studied in chemistry more complicated than the ideal gas equation, it is noteworthy that the solution of this cubic is rarely if ever addressed. When (lowering the temperature) the two imaginary roots coalesce with the real root of the van der Waals equation we have the critical point. At Kelvin temperatures below Tc. the equation has three real roots; we explore obtaining those roots to aid in the Maxwell construction required to obtain the vapor …