Digital Commons Network^™

Data From: Boron-Made N2: Realization Of A Bb Triple Bond In The B2al3- Cluster, Alexander I. Boldyrev, Nikita Fedik

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Project reports B2Al3- cluster, which mimics triple bond N2 molecule.

Data From: Aromatic Character Of [Au13]5+ And [Mau12]4+/6+(M = Pd, Pt) Cores In Ligand Protected Gold Nanoclusters – Interplay Between Spherical And Planar Sigma-Aromatics, Alexander I. Boldyrev, Nikita Fedik

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Project reports the aromaticity assessment and interconversion in newly reported Au clusters.

Pregnancy And Substance Use, Elise Withers, Krista Thompson, Emily Hamilton, Maren Wright Voss

All Current Publications

The use of alcohol and other harmful substances, such as cocaine, opioids, and marijuana during pregnancy has increased over the last decades (Sebastiani et al., 2018). Using these substances can be very harmful to the unborn baby and mother (Viteri et al., 2015). This fact sheet covers (1) the consequences of substance use and (2) the current recommendations for substance use during pregnancy.

Data From: Reply To The Comment On “Realization Of Lewis Basic Sodium Anion In The Nabh3- Cluster”, Alexander I. Boldyrev, Nikita Fedik

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Project provides additional discussion on NaBH3- cluster and answers questions raised in the Comment.

Creation, Destruction, And The Ethics Of “Murderabilia.”, Rachel Robinson-Greene

Languages, Philosophy, and Communication Studies Faculty Publications

On March 30th 1981, 25-year-old John Hinckley Jr. attempted to assassinate President Ronald Regan. He was convinced that doing so would earn him the affection of the young woman with whom he was obsessed — the 19-year-old actress Jodie Foster, who had recently starred in the film Taxi Driver. Hinckley was successful at shooting the president in the chest, and in the process he also shot Press Secretary James Brady in the head, Secret Security Agent Timothy McCarthy in the side, and District of Columbia police officer Thomas Delahanty in the neck. Hinckley was found not guilty by reason of …

Tree Establishment On Post-Mining Waste Soils: Species, Density, And Mixture Effects, Degi Harja Asmara, Suzanne Allaire, Meine Van Noordwijk, Damase P. Khasa

Aspen Bibliography

Tree establishment to restore degraded boreal post-mining lands is challenged by low soil productivity, a harsh microclimate, and potentially high contaminant levels. The use of mixed vegetation can facilitate the microclimate but increase competition for soil resources. A statistical accounting of plant–plant interactions and adaptation to multispecies conditions is hard to achieve in field experiments; trials under controlled conditions can distinguish effects of planting density and species interactions in the early stages of plant establishment. A greenhouse trial was established in containers (“mesocosms”) with waste rock or fine tailings from gold mines. Pregerminated (1-week-old) seedlings (Alnus viridis subsp. crispa …

Plant-Soil Feedbacks Help Explain Biodiversity-Productivity Relationships, Leslie E. Forero, Andrew Kulmatiski, Josephine Grenzer, Jeanette M. Norton

Wildland Resources Student Research

Species-rich plant communities can produce twice as much aboveground biomass as monocultures, but the mechanisms remain unresolved. We tested whether plant-soil feedbacks (PSFs) can help explain these biodiversity-productivity relationships. Using a 16-species, factorial field experiment we found that plants created soils that changed subsequent plant growth by 27% and that this effect increased over time. When incorporated into simulation models, these PSFs improved predictions of plant community growth and explained 14% of overyielding. Here we show quantitative, field-based evidence that diversity maintains productivity by suppressing plant disease. Though this effect alone was modest, it helps constrain the role of factors, …

Plant Biodiversity In Residential Yards Is Influenced By People's Preferences For Variety But Limited By Their Income, Allison Blanchette, Tara L.E. Trammell, Diane E. Pataki, Joanna Endter-Wada, Meghan L. Avolio

Environment and Society Faculty Publications

Residential yards are a unique component of the urban environment and harbor high cultivated plant biodiversity; however, why and how people create yards with so many plant species is not well understood. To investigate this pattern, we studied the relationships between residents’ preferences, income, and yard plant biodiversity in the Salt Lake Valley, Utah, USA where most of the urban vegetation is intentionally cultivated. We conducted in-person interviews, distributed written surveys, and inventoried the biodiversity (i.e., genus and species richness) of ornamental herbaceous flowering plants and lawn plants in residential yards located in neighborhoods across income levels. We found that …

An Open Web-Based Module Developed To Advance Data-Driven Hydrologic Process Learning, Belize A. Lane, Irene Garousi-Nejad, Melissa A. Gallagher, David G. Tarboton, Emad Habib

Civil and Environmental Engineering Faculty Publications

The era of ‘big data’ promises to provide new hydrologic insights, and open web-based platforms are being developed and adopted by the hydrologic science community to harness these datasets and data services. This shift accompanies advances in hydrology education and the growth of web-based hydrology learning modules, but their capacity to utilize emerging open platforms and data services to enhance student learning through data-driven activities remains largely untapped. Given that generic equations may not easily translate into local or regional solutions, teaching students to explore how well models or equations work in particular settings or to answer specific problems using …

The Format That Time Forgot!!! The Return Of The Microcards, Jen P. Kirk, Mel Desart, Laura Sare, Sinai Wood

Library Faculty & Staff Presentations

Hidden away in the darkest recesses of some libraries you will find... Wait! Don't! Don't open that microcard drawer!!

Seriously, it feels that way when you walk by those long-neglected microcards. Very few cataloging records exist so discoverability is close to zero, and if there are records how do you read the cards? Wouldn't it be great if you could bring that microcard back to life so the content could be used? Good news! A collaborative open-access effort to do so is underway. After two successful pilot projects, working with roughly 2700 Atomic Energy Commission (AEC) reports on microcard, the …

Data From: A Sandwich-Type Cluster Containing Ge@Pd3 Planar Fragment Flanked By Aromatic Nonagermanide Caps, Alexander I. Boldyrev, Nikolay Tkachenko

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Sandwich-type clusters with the planar fragment containing a heterometallic sheet have remained elusive. In this work, we introduce the [K(2,2,2-crypt)]4{(Ge9)2[η6-Ge(PdPPh3)3]} complex that contains a heterometallic sandwich fragment. The title compound is structurally characterized by means of single-crystal X-ray diffraction, which reveals the presence of an unusual heteroatomic metal planar fragment Ge@Pd3. The planar fragment contains a rare formal zerovalent germanium core and a peculiar bonding mode of sp2-Ge@(PdPPh3)3 trigonal planar structure, whereas the nonagermanide fragments act as capping ligands. The chemical bonding pattern of the planar fragment consists of three 2c-2e Pd-Ge σ-bonds attaching Pd atoms to the core Ge …

Data From: Chemical Bonding Analysis Of Excited States Using The Adaptive Natural Density Partitioning Method, Alexander I. Boldyrev, Nikolay Tkachenko

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A novel approach to chemical bond analysis for excited states has been developed. Using an extended adaptive natural density partitioning method (AdNDP) as implemented in AdNDP 2.0 code, we obtained chemically intuitive bonding patterns for the excited states of H2O, B5+, and C2H4+ molecules. The deformation pathway in the excited states could be easily predicted based on the analysis of the chemical bond pattern. We expect that this new method of chemical bonding analysis would be very helpful for photochemistry, photoelectron spectroscopy, electron spectroscopy and other chemical applications that involved excited states.

Data From: Novel Strongly Correlated Europium Superhydrides, Alexander I. Boldyrev, Nikolay Tkachenko

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We conducted a joint experimental–theoretical investigation of the high-pressure chemistry of europium polyhydrides at pressures of 86–130 GPa. We discovered several novel magnetic Eu superhydrides stabilized by anharmonic effects: cubic EuH9, hexagonal EuH9, and an unexpected cubic (Pm3n) clathrate phase, Eu8H46. Monte Carlo simulations indicate that cubic EuH9 has antiferromagnetic ordering with TN of up to 24 K, whereas hexagonal EuH9 and Pm3n-Eu8H46 possess ferromagnetic ordering with TC = 137 and 336 K, respectively. The electron–phonon interaction is weak in all studied europium hydrides, and their magnetic ordering excludes s-wave superconductivity, except, perhaps, for distorted pseudohexagonal EuH9. The equations of …

Identification And Management Of Scotch Thistle (Onopordum Acanthium L.) In Pastures, Rangelands, And Non-Crop Settings, Cody Zesiger, Jacob Hadfield, Kalen Taylor, Corey Ransom

All Current Publications

Scotch thistle (Onopordum acanthium) is an invasive species native to Eurasia. It was likely introduced into North America during the late 19th century (Young & Evans, 1969). Due to the plant’s size and prickles, a stand can damage pasture productivity, ruin campsites, or make trails nearly impassable. The thistle also outcompetes desirable plants and greatly reduces forage use by large animals. Since not all thistles are related or alike, it is essential to correctly identify Scotch thistle before making management decisions. This fact sheet provides information about identification, lifecycle and distribution, and management.

Identifying And Managing Dyer's Woad (Isatis Tinctoria) In Pastures, Rangelands, And Non-Crop Settings, Cody Zesiger, Jacob Hadfield, Corey Ransom

All Current Publications

Dyer's woad (Isatis tinctoria) was introduced into Utah during the mid-nineteenth century as a source of indigo dye. The plant escaped cultivation and has spread across rangelands, foothills, and other sites throughout the Intermountain West. This fact sheet provides information about identifying dyer's woad and its lifecycle, distribution, and management in pastures, rangelands, and non-crop settings. It includes information about using appropriate herbicides to control dyer's woad and how to apply them.

Data From: Stability, Electronic, And Optical Properties Of Two-Dimensional Phosphoborane, Alexander I. Boldyrev, Nikolay Tkachenko

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The structure and properties of two-dimensional phosphoborane sheets were computationally investigated using Density Functional Theory calculations. The calculated phonon spectrum and band structure point to dynamic stability and allowed characterization of the predicted two-dimensional material as a direct-gap semiconductor with a band gap of ~1.5 eV. The calculation of the optical properties showed that the two-dimensional material has a relatively small absorptivity coefficient. The parameters of the mechanical properties characterize the two-dimensional phosphoborane as a relatively soft material, similar to the monolayer of MoS2. Assessment of thermal stability by the method of molecular dynamics indicates sufficient stability of the predicted …

Data From: Superoctahedral Two-Dimensional Metallic Boron With Peculiar Magnetic Properties, Alexander I. Boldyrev, Nikolay Tkachenko

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Among the diversity of new materials, two-dimensional crystal structures have been attracting significant attention from the broad scientific community due to their promising applications in nanoscience. In this study we predict a novel two-dimensional ferromagnetic boron material, which has been exhaustively studied with DFT methods. The relaxed structure of the 2D-B6 monolayer consists of slightly flattened octahedral units connected with 2c-2e B–B σ-bonds. The calculated phonon spectrum and ab initio molecular dynamics simulations reveal the thermal and dynamical stability of the designed material. The calculation of the mechanical properties indicate a relatively high Young's modulus of 149 N m−1. Moreover, …

Data From: Spherical Aromaticity Of All-Metal [Bi@In8bi12]3−/5− Clusters, Alexander I. Boldyrev, Nikolay Tkachenko

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The chemical bonding of Zintl clusters is still an evolving and hot topic in modern chemistry. In this paper we synthesized a novel [K([2.2.2]crypt)]4[In8Bi13] complex in a condensed phase. The quantum chemical calculations and X-ray data revealed that the compound consists of the 1:1 mixture of [Bi@In8Bi12]3− and [Bi@In8Bi12]5− clusters. To the date, those clusters are the largest binary clusters composed of In and Bi elements. Herein, we introduce a spherical aromatic description of chemical bonding for such clusters. We show through AdNDP, ELF, and induced magnetic field and quantitative NICS analyzes that both clusters are spherically aromatic which explains …

Data From: Computational Prediction Of The Low-Temperature Ferromagnetic Semiconducting 2d Sin Monolayer, Alexander I. Boldyrev, Nikolay Tkachenko

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Since the discovery of graphene, 2D materials have captured the minds of scientists because of their attractive and unique electronic properties. In particular, magnetic 2D materials have become a subject of extensive discussions today. Using density functional theory calculations, it is shown that 2D SiN sheet (built out of nonmetallic main group atoms) is a ferromagnetic semiconducting material with a magnetic moment 1 μB per unit cell and an indirect bandgap of 1.55 eV. Calculated phonon spectrum and conducted ab initio molecular dynamics simulation reveal thermal and dynamical stability of the designed material. It is shown that the ferromagnetic state …

Spatial And Temporal Variation Of Epigaeic Beetle Assemblages (Coleoptera, Carabidae, Staphylinidae) In Aspen-Dominated Mixedwood Forests Across North-Central Alberta, H. E. James Hammond, Sergio García-Tejero, Greg R. Pohl, David W. Langor, John R. Spence

Aspen Bibliography

Epigaeic beetle assemblages were surveyed using continuous pitfall trapping during the summers of 1992 and 1993 in six widely geographically distributed locations in Alberta’s aspen-mixedwood forests prior to initial forest harvest. Species composition and turnover (β-diversity) were evaluated on several spatial scales ranging from Natural Regions (distance between samples 120–420 km) to pitfall traps (40–60 m). A total of 19,885 ground beetles (Carabidae) representing 40 species and 12,669 rove beetles (non-Aleocharinae Staphylinidae) representing 78 species was collected. Beetle catch, species richness, and diversity differed significantly among the six locations, as did the identity of dominant species. Beetle species composition differed …

Dataset For: Multiple Local Σ-Aromaticity Of Nonagermanide Clusters, Alexander I. Boldyrev, Nikolay Tkachenko

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Nonagermanide clusters are widely used in inorganic synthesis and are actively studied by experimentalists and theoreticians. However, chemical bonding of such versatile species is still not completely understood. In our work we deciphered a bonding pattern for various experimentally obtained nonagermanide species. We localized the electron density via the AdNDP algorithm for the model structures ([Ge9]4−, [Ge9{P(NH2)2}3]−, Cu[Ge9{P(NH2)2}3] and Cu(NHC)[Ge9{P(NH2)2}3]) and obtained a simple and chemically intuitive bonding pattern which can explain the variety of active sites and the existence of both D3h and C4v geometries for such clusters. Moreover, the [Ge9]4− core is found to be a unique example …

Data From: Dibridged, Monobridged, Vinylidene-Like, And Linear Structures For The Alkaline Earth Dihydrides Be2h2, Mg2h2, Ca2h2, Sr2h2, And Ba2h2. Proposals For Observations, Alexander I. Boldyrev, Nikolay Tkachenko

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This research reports a search for peculiar monobridged structures of the E2H2 molecules (E = Be, Mg, Ca, Sr, Ba). For Be2H2 and Mg2H2, the monobridged geometry is not an equilibrium but rather a transition state between the vinylidene-like structure and the global minimum HE–EH linear geometry. However, for Ca2H2, Sr2H2, and Ba2H2, this situation changes significantly; the linear structure is no longer the global minimum but lies higher in energy than two other equilibria, the dibridged and monobridged structures. The planar dibridged structures of both Sr2H2 and Ba2H2 should be observable via IR spectroscopy. Although the remarkable monobridged structures …

Effects Of Cognitive Restructuring And Defusion For Coping With Difficult Thoughts In A Predominantly White Female College Student Sample, Jennifer Krafft, Korena S. Klimczak, Michael E. Levin

Psychology Student Research

Background: Understanding how cognitive processes are naturally used by untrained individuals in the moment to cope with difficult thoughts may help inform effective and efficient interventions.

Methods: This study investigated self-reported naturalistic use of two evidence-based processes, cognitive restructuring and cognitive defusion, in an untrained, predominantly White female college student sample (n = 194) through ecological momentary assessments over seven days.

Results: Cognitive restructuring and defusion had a large positive relationship. Both processes were also positively associated with increased momentary use of suppression and distraction. Only momentary defusion was associated with decreased rumination and negative affect at the same timepoint, …

Data For: Record Low Ionization Potentials Of Alkali Metal Complexes With Crown Ethers And Cryptands, Alexander I. Boldyrev, Nikolay Tkachenko

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Electronic properties of series of alkali metals complexes with crown ethers and cryptands were studied via DFT hybrid functionals. For [M([2.2.2]crypt)] (M=Li, Na, K) extremely low (1.70–1.52 eV) adiabatic ionization potentials were found. Such low values of ionization energies are significantly lower than those of alkali metal atoms. Thus, the investigated complexes can be defined as superalkalis. As a result, our investigation opens up new directions in the designing of chemical species with record low ionization potentials and extends the explanation of the ability of the cryptates and alkali crown ether complexes to stabilize multiple charged Zintl ions.

Advancing Transparency And Impact Of Research: Initiating Crosstalk Between Indigenous Research And Mainstream “Open Science”, P. Priscilla Lui, Monica C. Skewes, Sarah Gobrial, David Rollock

Journal of Indigenous Research

To answer questions about human psychology, psychological science needs to yield credible findings. Because of their goals of understanding people’s lived experiences and advocating for the needs of the Native communities, Indigenous scholars tend to use community-based participatory research (CBPR) or approach science from a constructivist framework. The primary goal of mainstream psychological science is to uncover generalizable facts about human functioning. Approached from a postpositivist framework, mainstream psychological scholars tend to assume the possibility of identifying researcher biases and achieving objective science. Recently, many psychological findings failed to replicate in new samples. The replication crisis has raised concerns about …

Data From: Structure And Bonding In [Sb@In8sb12]3− And [Sb@In8sb12]5−, Alexander I. Boldyrev, Nikolay Tkachenko

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We report the characterization of the compound [K([2.2.2]crypt)]4[In8Sb13], which proves to contain a 1:1 mixture of [Sb@In8Sb12]3− and [Sb@In8Sb12]5−. The tri-anion displays perfect Th symmetry, the first completely inorganic molecule to do so, and contains eight equivalent In3+ centers in a cube. The gas-phase potential energy surface of the penta-anion has eight equivalent minima where the extra pair of electrons is localized on one In+ center, and these minima are linked by low-lying transition states where the electron pair is delocalized over two adjacent centers. The best fit to the electron density is obtained from a model where the structure …

Data From: [Sn8]6−-Bridged Mixed-Valence Zni/Znii In {[K2znsn8(Znmes)]2}4− Inverse Sandwich-Type Cluster Supported By A Zni−Zni Bond, Alexander I. Boldyrev, Nikolay Tkachenko

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Since [Sn8]6− was discovered from the solid-state phase in 2000, its solution chemistry has been elusive due to the high charges and chemical activity. Herein, we report the synthesis and characterization of an inverse sandwich-type cluster dimer {[K2ZnSn8(ZnMes)]2}4− (1 a), in which the highly charged [Sn8]6− is captured by mixed-valence ZnI/ZnII to form the dimer {closo-[Zn2Sn8]}2 moieties bridged by a Zn-Zn bond. Such Zn-Sn cluster not only exhibits a novel example of mixed-valence ZnI/ZnII for stabilizing highly active anion species, but also indicates the [Sn8]6− cluster can act as a novel bridging ligand, like arene, with a η4:η4-fashion. Theoretical calculations …

Data From: All-Metal Σ-Antiaromaticity In Dimeric Cluster Anion {[Cuge9mes]2}4−, Alexander I. Boldyrev, Nikolay Tkachenko

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In this work, we report a dimeric cluster anion, {[CuGe9Mes]2}4−, which was isolated as the [K(2,2,2-crypt)]+ salt and characterized by using single-crystal X-ray diffraction and ESI mass spectroscopy. The title cluster represents the first locally σ-antiaromatic compound in the solid state, as well as the first heteroatomic antiaromatic compound.

Low-Density Aspen Seedling Establishment Is Widespread Following Recent Wildfires In The Western United States, Mark R. Kreider, Larissa L. Yocom

Wildland Resources Faculty Publications

Sexual regeneration is increasingly recognized as an important regeneration pathway for aspen in the western United States, a region previously thought to be too dry for seedling establishment except for during unusually wet periods. Because of this historical assumption, information on aspen seedling establishment and factors influencing its occurrence is limited and frequently anecdotal. We conducted a systematic field survey of 15 recent fire footprints that burned in 2018 in the western United States to quantify how common aspen seedling establishment is following fire and to identify factors associated with establishment. We found aspen seedling establishment in 12 of 15 …

Data From: Σ-Aromaticity-Induced Stabilization Of Heterometallic Supertetrahedral Clusters [Zn6ge16]4− And [Cd6ge16]4−, Alexander I. Boldyrev, Nikolay Tkachenko

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In this work, the largest heterometallic supertetrahedral clusters, [Zn6Ge16]4− and [Cd6Ge16]4−, were directly self-assembled through highly-charged [Ge4]4− units and transition metal cations, in which 3-center–2-electron σ bonding in Ge2Zn or Ge2Cd triangles plays a vital role in the stabilization of the whole structure. The cluster structures have an open framework with a large central cavity of diameter 4.6 Å for Zn and 5.0 Å for Cd, respectively. Time-dependent HRESI-MS spectra show that the larger clusters grow from smaller components with a single [Ge4]4− and ZnMes2 units. Calculations performed at the DFT level indicate a very large HOMO–LUMO energy gap in …