Особливості реалізації графічного конвеєру при візуалізації тривимірних моделей приміщень університету

В більшості систем комп‘ютерної графіки застосовується графічний конвеєр – логічна група послідовно виконуваних обчислень (етапів), які в результаті дають синтезовану сцену на екрані комп‘ютера. Серед основних – етапи геометричних перетворень та візуалізації. Результат виконання кожного з цих етапів впливає на кінцевий вигляд синтезованої сцени, тому їх коректне завершення є необхідною умовою отримання якісного зображення

Rational Synthesis of Chiral Metal–Organic Frameworks from Preformed Rodlike Secondary Building Units

The lack of rational design methodologies to obtain chiral rod-based MOFs is a current synthetic limitation that hampers further expansion of MOF chemistry. Here we report a metalloligand design strategy consisting of the use, for the first time, of preformed 1D rodlike SBUs (<b>1</b>) for the rational preparation of a chiral 3D MOF (<b>2</b>) exhibiting a rare <b>eta</b> net topology. The encoded chiral information on the enantiopure ligand is efficiently transmitted first to the preformed helical 1D building block and, in a second stage, to the resulting chiral 3D MOF. These results open new routes for the rational design of chiral rod-based MOFs, expanding the scope of these unique porous materials

Double Interpenetration in a Chiral Three-Dimensional Magnet with a (10,3)‑a Structure

A unique chiral three-dimensional magnet with an overall racemic double-interpenetrated (10,3)-a structure of the formula [(<i>S</i>)-(1-PhEt)­Me₃N]₄[Mn₄Cu₆(Et₂pma)₁₂]­(DMSO)₃]·3DMSO·5H₂O (<b>1</b>; Et₂pma = <i>N</i>-2,6-diethylphenyloxamate) has been synthesized by the self-assembly of a mononuclear copper­(II) complex acting as a metalloligand toward Mn^II ions in the presence of a chiral cationic auxiliary, constituting the first oxamato-based chiral coordination polymer exhibiting long-range magnetic ordering

Intermolecular Binding Modes in a Novel [1 + 1] Condensation 1<i>H</i>‑Pyrazole Azamacrocycle: A Solution and Solid State Study with Evidence for CO₂ Fixation

The synthesis of a novel cyclophane (<b>L1</b>) consisting of a 1<i>H</i>-pyrazole moiety linked through methylene groups to a 1,5,9,13-tetraazadecane chain is described. As far as we know, this is one of the first reported syntheses of a [1 + 1] condensation 1<i>H</i>-pyrazole azamacrocyclic ligand. The crystal structures of the complexes [Cu₂(H­(H_–1<b>L1</b>))­(H_–1<b>L1</b>)]­(ClO₄)₃·3.75H₂O (<b>1</b>) and ([Cu₂(H­(H_–1<b>L1</b>))_0.5(H_–1<b>L1</b>)_1.5]₂­(ClO₄)₃Br₂·4.2H₂O (<b>2</b>) show that Cu²⁺ coordination leads to formation of 2:2 Cu²⁺:L dinuclear dimeric complexes in which the 1<i>H</i>-pyrazole units lose a proton behaving as bis­(monodentate) bridging ligands. Unlike previously reported complexes of [2 + 2] pyrazole azamacrocycles, the pyrazolate units in <b>1</b> are pointing outward from the macrocyclic cavity to bind the Cu²⁺ ions. Inner coordination with formation of 1:1 Cu²⁺:L complexes is however observed in [1 + 1] pyridine azamacrocycles as shown by the crystal structure here presented of the complex [Cu<b>L2</b>]­(ClO₄)₂ (<b>3</b>). Crystals of [Cu₃(H_–1<b>L1</b>)₂(CO₃)­(H₂O)]­(ClO₄)₂·8H₂O (<b>4</b>) grown by evaporating aqueous solution at pH 9 containing Cu²⁺ and <b>L1</b> in 3:2 molar ratio show the presence of a further Cu²⁺ coordinated to the two free amine groups found in structures <b>1</b> and <b>2</b>. The metal ion fills its coordination sphere capturing atmospheric CO₂ as a η¹,η²-bidentate carbonate anion placed in the equatorial position and an axial water molecule. pH-metric data, UV–vis spectroscopic data, EPR measurements, and HR-ESI-MS data support that the outer coordination mode with formation of 2:2 dinuclear dimeric and 3:2 trinuclear complexes is preserved in aqueous solution

Intermolecular Binding Modes in a Novel [1 + 1] Condensation 1<i>H</i>‑Pyrazole Azamacrocycle: A Solution and Solid State Study with Evidence for CO₂ Fixation

The synthesis of a novel cyclophane (<b>L1</b>) consisting of a 1<i>H</i>-pyrazole moiety linked through methylene groups to a 1,5,9,13-tetraazadecane chain is described. As far as we know, this is one of the first reported syntheses of a [1 + 1] condensation 1<i>H</i>-pyrazole azamacrocyclic ligand. The crystal structures of the complexes [Cu₂(H­(H_–1<b>L1</b>))­(H_–1<b>L1</b>)]­(ClO₄)₃·3.75H₂O (<b>1</b>) and ([Cu₂(H­(H_–1<b>L1</b>))_0.5(H_–1<b>L1</b>)_1.5]₂­(ClO₄)₃Br₂·4.2H₂O (<b>2</b>) show that Cu²⁺ coordination leads to formation of 2:2 Cu²⁺:L dinuclear dimeric complexes in which the 1<i>H</i>-pyrazole units lose a proton behaving as bis­(monodentate) bridging ligands. Unlike previously reported complexes of [2 + 2] pyrazole azamacrocycles, the pyrazolate units in <b>1</b> are pointing outward from the macrocyclic cavity to bind the Cu²⁺ ions. Inner coordination with formation of 1:1 Cu²⁺:L complexes is however observed in [1 + 1] pyridine azamacrocycles as shown by the crystal structure here presented of the complex [Cu<b>L2</b>]­(ClO₄)₂ (<b>3</b>). Crystals of [Cu₃(H_–1<b>L1</b>)₂(CO₃)­(H₂O)]­(ClO₄)₂·8H₂O (<b>4</b>) grown by evaporating aqueous solution at pH 9 containing Cu²⁺ and <b>L1</b> in 3:2 molar ratio show the presence of a further Cu²⁺ coordinated to the two free amine groups found in structures <b>1</b> and <b>2</b>. The metal ion fills its coordination sphere capturing atmospheric CO₂ as a η¹,η²-bidentate carbonate anion placed in the equatorial position and an axial water molecule. pH-metric data, UV–vis spectroscopic data, EPR measurements, and HR-ESI-MS data support that the outer coordination mode with formation of 2:2 dinuclear dimeric and 3:2 trinuclear complexes is preserved in aqueous solution

Analysis of Mexican Spotted Owl Diet in the Canyonlands of Southern Utah

While diets of Mexican Spotted Owls within forested habitat have been studied, little research has been published on the diet of owls that occupy canyon habitats (see Willey In Press). Since the Mexican Spotted Owl is federally listed as a threatened species, it is important to identify primary prey of Utah’s canyon dwelling owls to better understand their dietary needs (U.S. Fish and Wildlife Service 1993). We hope that the findings from this research can better inform state and federal managers on spotted owl prey use and aid in future management of small mammal populations in canyon habitats. We intend to compare our results with the findings of Willey (In Press) to determine whether any differences in diet exist. We will determine the time of day owls were foraging. A complete list of prey species will be compiled and the mean dietary composition will be computed for each owl territory. Mean biomass and frequency of prey captured at each site will also be calculated. Lastly, the evenness of the owl’s diet between study areas will be compared using the Simpson’s Index. Understanding the Mexican spotted owl’s prey base in canyon habitats will provide insights into potential population limiting factors

Selective Gold Recovery and Catalysis in a Highly Flexible Methionine-Decorated Metal–Organic Framework

A novel chiral 3D bioMOF exhibiting functional channels with thio-alkyl chains derived from the natural amino acid l-methionine (<b>1</b>) has been rationally prepared. The well-known strong affinity of gold for sulfur derivatives, together with the extremely high flexibility of the thioether “arms” decorating the channels, account for a selective capture of gold­(III) and gold­(I) salts in the presence of other metal cations typically found in electronic wastes. The X-ray single-crystal structures of the different gold adsorbates <b>Au</b>^<b>III</b><b>@1</b> and <b>Au</b>^<b>I</b><b>@1</b> suggest that the selective metal capture occurs in a metal ion recognition process somehow mimicking what happens in biological systems and protein receptors. Both <b>Au</b>^<b>III</b><b>@1</b> and <b>Au</b>^<b>I</b><b>@1</b> display high activity as heterogeneous catalyst for the hydroalkoxylation of alkynes, further expanding the application of these novel hybrid materials

Cation Exchange in Dynamic 3D Porous Magnets: Improvement of the Physical Properties

We report two novel three-dimensional porous coordination polymers (PCPs) of formulas Li₄{Mn₄[Cu₂(Me₃mpba)₂]₃}·68H₂O (<b>2</b>) and K₄{Mn₄[Cu₂(Me₃mpba)₂]₃}·69H₂O (<b>3</b>) obtainedvia alkali cation exchange in a single-crystal to single-crystal processfrom the earlier reported anionic manganese­(II)–copper­(II) PCP of formula Na₄{Mn₄[Cu₂(Me₃mpba)₂]₃}·60H₂O (<b>1</b>) [Me₃mpba^4– = <i>N,N</i>′-2,4,6-trimethyl-1,3-phenylenebis­(oxamate)]. This postsynthetic process succeeds where the direct synthesis in solution from the corresponding building blocks fails and affords significantly more robust PCPs with enhanced magnetic properties [long-range 3D magnetic ordering temperatures for the dehydrated phases (<b>1</b>′–<b>3</b>′) of 2.0 (<b>1</b>′), 12.0 (<b>2</b>′), and 20.0 K (<b>3</b>′)]. Changes in the adsorptive properties upon postsynthetic exchange suggest that the nature, electrostatic properties, mobility, and location of the cations within the framework are crucial for the enhanced structural stability. Overall, these results further confirm the potential of postsynthetic methods (including cation exchange) to obtain PCPs with novel or enhanced physical properties while maintaining unaltered their open-framework structures

Cation Exchange in Dynamic 3D Porous Magnets: Improvement of the Physical Properties

We report two novel three-dimensional porous coordination polymers (PCPs) of formulas Li₄{Mn₄[Cu₂(Me₃mpba)₂]₃}·68H₂O (<b>2</b>) and K₄{Mn₄[Cu₂(Me₃mpba)₂]₃}·69H₂O (<b>3</b>) obtainedvia alkali cation exchange in a single-crystal to single-crystal processfrom the earlier reported anionic manganese­(II)–copper­(II) PCP of formula Na₄{Mn₄[Cu₂(Me₃mpba)₂]₃}·60H₂O (<b>1</b>) [Me₃mpba^4– = <i>N,N</i>′-2,4,6-trimethyl-1,3-phenylenebis­(oxamate)]. This postsynthetic process succeeds where the direct synthesis in solution from the corresponding building blocks fails and affords significantly more robust PCPs with enhanced magnetic properties [long-range 3D magnetic ordering temperatures for the dehydrated phases (<b>1</b>′–<b>3</b>′) of 2.0 (<b>1</b>′), 12.0 (<b>2</b>′), and 20.0 K (<b>3</b>′)]. Changes in the adsorptive properties upon postsynthetic exchange suggest that the nature, electrostatic properties, mobility, and location of the cations within the framework are crucial for the enhanced structural stability. Overall, these results further confirm the potential of postsynthetic methods (including cation exchange) to obtain PCPs with novel or enhanced physical properties while maintaining unaltered their open-framework structures

Solid-State Aggregation of Metallacyclophane-Based Mn^IICu^II One-Dimensional Ladders

Two distinct one-dimensional (<b>1</b>) and two-dimensional (<b>2</b>) mixed-metal–organic polymers have been synthesized by using the “complex-as-ligand” strategy. The structure of <b>1</b> consists of isolated ladderlike Mn^II₂Cu^II₂ chains separated from each other by neutral Mn^II₂ dimers, whereas <b>2</b> possesses an overall corrugated layer structure built from additional coordinative interactions between adjacent Mn^II₂Cu^II₂ ladders. Interestingly, <b>1</b> and <b>2</b> show overall ferri- and antiferromagnetic behavior, respectively, as a result of their distinct crystalline aggregation in the solid state