Louisville Tile Distributors recently promoted Tina Boyle to the position of Chief Operating Officer. She shares perspective on her career path and leadership roles for women in business.

The new ovens at the Sunland Park location are state-of-the-art six-truck, dual-purpose ovens, meaning that they have the capability of both smoking and sous vide cooking.

The newly acquired Cooper Street Bakery will operate independently from the Cooper Street Snacks brand but will play a crucial role in supporting the company’s expanding product lines.

Mohawk Industries has announced key leadership changes as Chris Wellborn prepares to retire from his position as President and Chief Operating Officer in February 2024. Paul De Cock, currently serving as President of Flooring North America, will succeed Wellborn in the role. Ken Walma, an experienced manufacturing executive from Madison Air, will join Mohawk this month and take over De Cock's position as head of Flooring North America on February 1.

The collection is organized into palettes, profiles and sizes that make it easy to achieve a coordinated look across flooring, treads, risers, wall base and more. 

Laticrete’s Ben Lampi offers advice on pairing color and finishes to take a tile installation to the next level. 

Over-cooking caused by temperature variation across the belt is a challenge for food manufacturers due to its detrimental impact on yield and product quality. The latest industrial cooking technology has the potential to transform the mass production of roasted, breaded and smoked products.

We are looking for a talented and creative Open Source Coordinator who will support the Open Source Software organization.  The ideal candidate will bring strong detail oriented execution and organizational skills to help drive the impact of Arm in the Open Source community.

 About the role

• The position reports to the Director Open Source Communities. The position has working relationships with, but not limited: Software Engineering groups, Global Event Teams, Enterprise Marketing, Legal, Procurement, Finance, Business Line Groups, IT, as well as external service providers.
• Responsible for coordinating activities within the Open Source Office and supporting various aspects of events (including industry trade shows, special events and conferences) and multifaceted projects.
• Some knowledge in project management is highly beneficial
• Working with globally dispersed teams, engaging engineering leads to drive Arm’s Open Source presence at a variety of events from large commercial to grass root community

by Courtney Vaughn

The Mercury provides news and fun every single day—but your help is essential. If you believe Portland benefits from smart, local journalism and arts coverage, please consider making a small monthly contribution, because without you, there is no us. Thanks for your support!

Good morning and happy election day, Portland! Obviously, drop off that ballot if you haven't yet. If you need a replacement, the county elections office can help you. If you're not sure who to vote for, here's our handy dandy election guide, which even includes a cheat sheet for you to refer to when filling out your ballot. If you’re monitoring results, let us keep you company on our live election night blog, and if you need to commiserate with others, or share a joke and a drink to ease the stress, join us in person at Mississippi Studios tonight for our free election night party!

In Local News: 

• Speaking of the election, voter turnout so far in Multnomah County is a little low. The number of ballots returned by Monday hovered below 46 percent. In the last presidential election, more than 73 percent of Multnomah County ballots were returned the day before the election. Some have speculated that Portland’s new ranked choice voting system and the sheer number of City Council candidates is slowing voters down, or dissuading them from filling out their ballot. BUT, people were a lot less busy in 2020, and if RCV is the culprit, why is Clackamas County–which isn’t using ranked voting– also seeing just 50 percent turnout by Monday? Similarly, Washington County’s elections office reports only 47 percent of ballots were returned by Monday. Maybe voters procrastinated, or maybe they’re just waiting to drop off their ballots in broad daylight, when there’s less likelihood of a ballot box getting blown up by some nut job. 

Turnout in Multnomah County as of November 4, 1 days before the election.

Current: 46% of accepted ballots (50% with returned ballots)
2020: 73%
2004-2020 average: 65%
2004-2016 average: 63% pic.twitter.com/xVyPxKjebo

— John Horvick (@horvick) November 5, 2024

• In other local election news, a few buildings downtown have boarded up their windows in preparation for potential election night protests. Portland police have been hyping up the potential for election-related violence for months now, creating a bit of hysteria that’s got some major companies spooked. At least one online flier inviting anarchist protest has circulated, but it’s unrelated to any particular candidate or party and more directed at general disdain for the state of the country.

Both local and national law enforcement teams are on standby in Portland ahead of Election Day, but many businesses are taking matters into their own hands… boarding up their windows and doors. @fox12oregon pic.twitter.com/0kmbAWAIvb

— Mckenzie Richmond (@kenziestuvland) November 4, 2024

• Portland City Council seems primed to overturn the city’s agreement with Multnomah County on managing homelessness. As we reported a few weeks ago, City Commissioners Rene Gonzalez, Mingus Mapps and Dan Ryan have all signaled support for dissolving the intergovernmental agreement that lays out which functions each government agency handles, in an effort to collaborate and tag-team the region’s most critical issue. The three stooges allege Multnomah County hasn’t kept up its end of the bargain, and they’ve got professional shit stirrer and County Commissioner Sharon Meieran egging them on. This week, Portland City Council will vote on whether to end the agreement. Jessica Vega Pederson, chair of the county’s Board of Commissioners, has called out the plan to kill the agreement as short-sighted, misinformed, chickenshit, and harmful to unhoused Portlanders who need a bevy of resources and services.

Regional executive leaders are united supporting a collaborative approach to addressing homelessness, and pushing back on this political stunt that includes no plan.

“The three commissioners did not provide any alternative plan”https://t.co/KFIkThGrNo

— Jessica Vega Pederson (@jvegapederson) October 18, 2024

• Here’s a bright spot: Portland’s own Rose City Rollers took home a fifth world championship title over the weekend. The league’s all-star roller derby team, Wheels of Justice, overtook St. Louis’ Arch Rival Roller Derby in the final game of a three-day tournament at the Veterans Memorial Coliseum. Due to the international repercussions of the pandemic, this year’s Women’s Flat Track Derby Association Global Championships were the first since 2019. Keep your eyes peeled for more of our coverage. Rose City Rollers all-star team Wheels of Justice celebrates after a championship 
  win Sunday, Nov. 3.  courtney vaughn Gov. Tina Kotek (center) rallies the crowd Saturday, Nov. 2 at the 2024 Women's Flat
  Track Derby Association Global Championships. To the left, Kim "Rocket Mean" Stegeman (left) holds the championship Hydra trophy.   courtney vaughn

In National/World News:

• Attorneys for Elon Musk basically admitted that Musk’s election lottery scheme was more of a plot to boost the Republican party. When faced with charges of running an illegal election lottery, where he promised to pick a daily winner at random for a $1 million prize in an effort to get people registered to vote, attorneys said Musk never intended to use a lottery system to choose a winner. He instead planned to vet and select the right person to essentially be a cheerleader for Trump and the Republican party. Huh. Money can buy rocket ships and high-dollar attorneys, but it can’t buy intellect.

@lizzza

I’ll be with B

♬ original sound - Liza Koshy

• Quincy Jones, the musician and producer behind Michael Jackson’s Thriller who also worked with Frank Sinatra and was awarded 27 Grammys during his lifetime, died at 91. Jones died at home with family in Los Angeles. He was set to receive an honorary Academy Award later this month.

RIP to Quincy Jones. Do yourselves a solid and watch the documentary “Quincy” by his daughter, Rashida Jones. https://t.co/6nIE8VzPoz https://t.co/lOzgNCmFyZ

— GullahMuseumSC (@GullahSc) November 4, 2024

• Your black plastic spatula is slowly poisoning you. Recent reporting in The Atlantic reveals that many black plastic kitchen utensils are likely being made from recycled electronic waste, and leaching toxic chemicals into your food. The discovery was noted by a biochemist in 2018, who asserted that the high amount of flame retardants in black plastic products like spatulas signals the items were probably manufactured with recycled electronic parts used in computers and TVs. Because plastic is prone to leaching chemicals when it’s heated, researchers theorize it’s likely that black plastic cookware is releasing harmful compounds into cooking oil and hot foods. Might also be time to rethink all the plastic carryout containers used to store and reheat hot foods. ☣️????

• One last bit of election-related news, promise! ICYMI: Donald Trump pretended to blow a microphone during a campaign stop last week. Trump was pissed about the mic malfunctioning and his instinct was to mime a raunchy, suggestive movement with his hand and mouth. Keep this man away from children (and the White House). Hawk tuah!

@sbsnews_au

Donald Trump motions over an empty microphone stand after battling technical issues at a campaign rally.

♬ original sound - SBS News

November opens on cloudy and rainy notes.

Expect lingering cloud cover into Sunday night, with northwesterly winds picking up. A dry cold front will pass through, causing temperatures to dip slightly on Monday. After that, a pleasant warming trend is expected through the end of the work week.

Chilly high pressure has settled in behind the weekend system. High temperatures will be cooler Monday and Tuesday, but near normal. The next chance of rain develops Wednesday. 

Molson Coors says move will consolidate operations at company’s main Milwaukee Brewery in early 2025.

With the release of Skillet's latest album, "Revolution," lead singer John Cooper is more impassioned than ever, sounding an alarm over what he sees as a pivotal moment in America’s history. 

This week on After The Score, Thomas Bradley talks to a reporter with Columbus Business First about Cooper Stadium and the Smart City grant. How are the two related? How can they both help shape the future of transportation?

Yevgeny Prigozhin, the founder of private military company Wagner, was killed in a plane crash on August 23. His Embraer ERJ-135BJ Legacy 600 plane crashed in the Tver region. Prigozhin was 62. Prigozhin was born in 1961 in Leningrad. He lost his father in his early childhood, and was raised by his mother and stepfather. Yevgeny Prigozhin received his first criminal record when he was 18, the second and third one followed soon afterwards. After he was released from prison, Prigozhin decided to open his own business. He and his stepfather started selling hotdogs in Leningrad.

Not that long ago, the Teikovo missile unit (Guards Order of Kutuzov missile division) took mobile ground-based Yars missile systems for exercises. The manoeuvres included marches at a distance of up to 100 kilometers, dispersal and change of positions, organization of combat security and camouflage. The goal of the exercises was to improve the training and coherence of personnel of the Strategic Missile Forces.

This Earth Day, Brother International Europe is celebrating 15 years since first joining forces with the rainforest conservation charity, becoming their longest-serving commercial partner.

[International] :
South Korea, the United States and Japan are reportedly coordinating plans for a trilateral summit on the sidelines of the Asia-Pacific Economic Cooperation(APEC) summit, set for this week in Peru. Quoting a Japanese government official, Japan’s Kyodo News said Monday that coordination is underway to hold ...

[more...]

Learn about coolant leak causes and solutions. Expert insights for identifying, diagnosing, and fixing coolant leaks.

The hydro­thermal synthesis and structural characterization of four novel 3D pillared-layer metal–organic frameworks are studied, revealing how the malleability of copper coordination geometries drives diverse supramolecular isomerism. The findings provide new insights into designing advanced hybrid materials with tailored properties, emphasizing the significant role of reaction conditions and metal ion flexibility in determining network topologies.

A method to optimize the thermal deformation of an indirectly cryo-cooled silicon crystal monochromator exposed to intense X-rays at a low-emittance diffraction-limited synchrotron radiation source is presented. The thermal-induced slope error of the monochromator crystal has been studied as a function of heat transfer efficiency, crystal temperature distribution and beam footprint size. A partial cooling method is proposed, which flattens the crystal surface profile within the beam footprint by modifying the cooling contact area to optimize the crystal peak temperature. The optimal temperature varies with different photon energies, which is investigated, and a proper cooling strategy is obtained to fulfil the thermal distortion requirements over the entire photon energy range. At an absorbed power up to 300 W with a maximum power density of 44.8 W mm−2 normal incidence beam from an in-vacuum undulator, the crystal thermal distortion does not exceed 0.3 µrad at 8.33 keV. This method will provide references for the monochromator design on diffraction-limited synchrotron radiation or free-electron laser light sources.

Hard X-ray absorption spectroscopy is a valuable in situ probe for non-destructive diagnostics of metal sites. The low-energy interval of a spectrum (XANES) contains information about the metal oxidation state, ligand type, symmetry and distances in the first coordination shell but shows almost no dependency on the bridged metal–metal bond length. The higher-energy interval (EXAFS), on the contrary, is more sensitive to the coordination numbers and can decouple the contribution from distances in different coordination shells. Supervised machine-learning methods can combine information from different intervals of a spectrum; however, computational approaches for the near-edge region of the spectrum and higher energies are different. This work aims to keep all benefits of XANES and extend its sensitivity towards the interatomic distances in the first and second coordination shells. Using a binuclear bridged copper complex as a case study and cross-validation analysis as a quantitative tool it is shown that the first 170 eV above the edge are already sufficient to balance the contributions of Cu–O/N scattering and Cu–Cu scattering. As a more general outcome this work highlights the trivial but often overlooked importance of using `longer' energy intervals of XANES for structural refinement and machine-learning predictions. The first 200 eV above the absorption edge still do not require parametrization of Debye–Waller damping and can be calculated within full multiple scattering or finite difference approximations with only moderately increased computational costs.

Maximizing the performance of crystal monochromators is a key aspect in the design of beamline optics for diffraction-limited synchrotron sources. Temperature and deformation of cryo-cooled crystals, illuminated by high-power beams of X-rays, can be estimated with a purely analytical model. The analysis is based on the thermal properties of cryo-cooled silicon crystals and the cooling geometry. Deformation amplitudes can be obtained, quickly and reliably. In this article the concept of threshold power conditions is introduced and defined analytically. The contribution of parameters such as liquid-nitro­gen cooling efficiency, thermal contact conductance and interface contact area of the crystal with the cooling base is evaluated. The optimal crystal illumination and the base temperature are inferred, which help minimize the optics deformation. The model has been examined using finite-element analysis studies performed for several beamlines of the Diamond-II upgrade.

The coordination of hydro­tris­[3-(2-furyl)pyrazol-1-yl]borate (Tp2-Fu, C21H16BN6O3) to lan­tha­nide(III) ions is achieved for the first time with the com­plex [Ln(Tp2-Fu)2](BPh4)·xCH2Cl2 (1-Ln has Ln = Ce and x = 2; 1-Dy has Ln = Dy and x = 1). This was accom­plished via both hydrous (Ln = Ce) and anhydrous methods (Ln = Dy). When isolating the dysprosium analogue, the filtrate produced a second crop of crystals which were revealed to be the 1,2-borotropic-shifted product [Dy(κ4-Tp2-Fu)(κ5-Tp2-Fu*)](BPh4) (2) {Tp2-Fu* = hydro­bis­[3-(2-furyl)pyrazol-1-yl][5-(2-furyl)pyrazol-1-yl]borate}. We con­clude that the pres­ence of a strong Lewis acid and a sterically crowded coordination environment are contributing factors for the 1,2-borotropic shifting of scorpionate ligands in conjunction with the size of the conical angle with the scorpionate ligand.

Three structurally diverse 5-phenyl­tetra­zolato (Tz) Ti, Zr, and Ta com­plexes, namely, (C2H8N)[Ti2(C7H5N4)5(C2H6N)4]·1.45C6H6 or (Me2NH2)[Ti2(NMe2)4(2,3-μ-Tz)3(2-η1-Tz)2]·1.45C6H6, (1·1.45C6H6), [Zr2(C7H5N4)6(C2H6N)2(C2H7N)2]·1.12C6H6·0.382CH2Cl2 or [Zr2(Me2NH)2(NMe2)2(2,3-μ-Tz)3(2-η1-Tz)2(1,2-η2-Tz)]·1.12C6H6·0.38CH2Cl2 (2·1.12C6H6·0.38CH2Cl2), and (C2H8N)2[Ta2(C7H5N4)8(C2H6N)2O]·0.25C7H8 or (Me2NH2)2[Ta2(NMe2)2(2,3-μ-Tz)2(2-η1-Tz)6O]·0.25C7H8 (3·0.25C7H8), where TzH is 5-phenyl-1H-tetra­zole, have been synthesized and structurally characterized. All three com­plexes are dinuclear; the Ti center in 1 is six-coordinate, whereas the Zr and Ta atoms in 2 and 3 are seven-coordinate. The coordination environments of the Ti centers in 1 are similar, and so are the ligations of the Ta centers in 3. In contrast, the two Zr centers in 2 bear a different number of ligands, one of which is a bidentate η2-5-phenyl­tetra­zolato ligand that has not been observed previously for d-block elements. The di­methyl­amido ligand, present in the starting materials, remained un­changed, or was converted to di­methyl­amine and di­methyl­ammonium during the synthesis. Di­methyl­amine coordinates as a neutral ligand, whereas di­methyl­ammonium is retained as a hy­dro­gen-bonded entity bridging Tz ligands.

The crystal structures of two coordination com­pounds, (acetato-κO)(2,2'-bi­py­ri­dine-κ2N,N')(1,10-phenanthroline-κ2N,N')copper(II) acetate hexa­hydrate, [Cu(C2H3O2)(C10H8N2)(C12H8N2)](C2H3O2)·6H2O or [Cu(bipy)(phen)Ac]Ac·6H2O, and (acetato-κO)bis­(2,2'-bi­py­ri­dine-κ2N,N')copper(II) acetate–acetic acid–water (1/1/3), [Cu(C2H3O2)(C10H8N2)2](C2H3O2)·C2H4O2·3H2O or [Cu(bipy)2Ac]Ac·HAc·3H2O, are reported and com­pared with the previously published structure of [Cu(phen)2Ac]Ac·7H2O (phen is 1,10-phenanthroline, bipy for 2,2'-bi­py­ri­dine, ac is acetate and Hac is acetic acid). The geometry around the metal centre is penta­coordinated, but highly distorted in all three cases. The coordination number and the geometric distortion are both discussed in detail, and all com­plexes belong to the space group Poverline{1}. The analysis of the geometric parameters and the Hirshfeld surface properties dnorm and curvedness provide information about the metal–ligand inter­actions in these com­plexes and allow com­parison with similar systems.

Metalloproteins are ubiquitous in all living organisms and take part in a very wide range of biological processes. For this reason, their experimental characterization is crucial to obtain improved knowledge of their structure and biological functions. The three-dimensional structure represents highly relevant information since it provides insight into the interaction between the metal ion(s) and the protein fold. Such interactions determine the chemical reactivity of the bound metal. The available PDB structures can contain errors due to experimental factors such as poor resolution and radiation damage. A lack of use of distance restraints during the refinement and validation process also impacts the structure quality. Here, the aim was to obtain a thorough overview of the distribution of the distances between metal ions and their donor atoms through the statistical analysis of a data set based on more than 115 000 metal-binding sites in proteins. This analysis not only produced reference data that can be used by experimentalists to support the structure-determination process, for example as refinement restraints, but also resulted in an improved insight into how protein coordination occurs for different metals and the nature of their binding interactions. In particular, the features of carboxylate coordination were inspected, which is the only type of interaction that is commonly present for nearly all metals.

Advances in structural biology have relied heavily on synchrotron cryo-crystallography and cryogenic electron microscopy to elucidate biological processes and for drug discovery. However, disparities between cryogenic and room-temperature (RT) crystal structures pose challenges. Here, Cryo2RT, a high-throughput RT data-collection method from cryo-cooled crystals that leverages the cryo-crystallography workflow, is introduced. Tested on endothiapepsin crystals with four soaked fragments, thaumatin and SARS-CoV-2 3CLpro, Cryo2RT reveals unique ligand-binding poses, offers a comparable throughput to cryo-crystallography and eases the exploration of structural dynamics at various temperatures.

Stimulated by informal conversations at the XVII International Small Angle Scattering (SAS) conference (Traverse City, 2017), an international team of experts undertook a round-robin exercise to produce a large dataset from proteins under standard solution conditions. These data were used to generate consensus SAS profiles for xylose isomerase, urate oxidase, xylanase, lysozyme and ribonuclease A. Here, we apply a new protocol using maximum likelihood with a larger number of the contributed datasets to generate improved consensus profiles. We investigate the fits of these profiles to predicted profiles from atomic coordinates that incorporate different models to account for the contribution to the scattering of water molecules of hydration surrounding proteins in solution. Programs using an implicit, shell-type hydration layer generally optimize fits to experimental data with the aid of two parameters that adjust the volume of the bulk solvent excluded by the protein and the contrast of the hydration layer. For these models, we found the error-weighted residual differences between the model and the experiment generally reflected the subsidiary maxima and minima in the consensus profiles that are determined by the size of the protein plus the hydration layer. By comparison, all-atom solute and solvent molecular dynamics (MD) simulations are without the benefit of adjustable parameters and, nonetheless, they yielded at least equally good fits with residual differences that are less reflective of the structure in the consensus profile. Further, where MD simulations accounted for the precise solvent composition of the experiment, specifically the inclusion of ions, the modelled radius of gyration values were significantly closer to the experiment. The power of adjustable parameters to mask real differences between a model and the structure present in solution is demonstrated by the results for the conformationally dynamic ribonuclease A and calculations with pseudo-experimental data. This study shows that, while methods invoking an implicit hydration layer have the unequivocal advantage of speed, care is needed to understand the influence of the adjustable parameters. All-atom solute and solvent MD simulations are slower but are less susceptible to false positives, and can account for thermal fluctuations in atomic positions, and more accurately represent the water molecules of hydration that contribute to the scattering profile.

Three solid solutions of [CH3NH3]CoxNi1−x(HCOO)3, with x = 0.25 (1), x = 0.50 (2) and x = 0.75 (3), were synthesized and their nuclear structures and magnetic properties were characterized using single-crystal neutron diffraction and magnetization measurements. At room temperature, all three compounds crystallize in the Pnma orthorhombic space group, akin to the cobalt and nickel end series members. On cooling, each compound undergoes a distinct series of structural transitions to modulated structures. Compound 1 exhibits a phase transition to a modulated structure analogous to the pure Ni compound [Cañadillas-Delgado, L., Mazzuca, L., Fabelo, O., Rodríguez-Carvajal, J. & Petricek, V. (2020). Inorg. Chem. 59, 17896–17905], whereas compound 3 maintains the behaviour observed in the pure Co compound reported previously [Canadillas-Delgado, L., Mazzuca, L., Fabelo, O., Rodriguez-Velamazan, J. A. & Rodriguez-Carvajal, J. (2019). IUCrJ, 6, 105–115], although in both cases the temperatures at which the phase transitions occur differ slightly from the pure phases. Monochromatic neutron diffraction measurements showed that the structural evolution of 2 diverges from that of either parent compound, with competing hydrogen bond interactions that drive the modulation throughout the series, producing a unique sequence of phases. It involves two modulated phases below 96 (3) and 59 (3) K, with different q vectors, similar to the pure Co compound (with modulated phases below 128 and 96 K); however, it maintains the modulated phase below magnetic order [at 22.5 (7) K], resembling the pure Ni compound (which presents magnetic order below 34 K), resulting in an improper modulated magnetic structure. Despite these large-scale structural changes, magnetometry data reveal that the bulk magnetic properties of these solid solutions form a linear continuum between the end members. Notably, doping of the metal site in these solid solutions allows for tuning of bulk magnetic properties, including magnetic ordering temperature, transition temperatures and the nature of nuclear phase transitions, through adjustment of metal ratios.

The title complex, [ZnCl(C12H15N3O2)2][ZnCl3(CH3CN)], was synthesized and its structure was fully characterized through single-crystal X-ray diffraction analysis. The complex crystallizes in the ortho­rhom­bic system, space group Pbca (61), with a central zinc atom coordinating one chlorine atom and two pyrrolidinyl-4-meth­oxy­phenyl azoformamide ligands in a bidentate manner, utilizing both the nitro­gen and oxygen atoms in a 1,3-heterodiene (N=N—C=O) motif for coordinative bonding, yielding an overall positively (+1) charged complex. The complex is accompanied by a [(CH3CN)ZnCl3]− counter-ion. The crystal data show that the harder oxygen atoms in the heterodiene zinc chelate form bonding inter­actions with distances of 2.002 (3) and 2.012 (3) Å, while nitro­gen atoms are coordinated by the central zinc cation with bond lengths of 2.207 (3) and 2.211 (3) Å. To gain further insight into the inter­molecular inter­actions within the crystal, Hirshfeld surface analysis was performed, along with the calculation of two-dimensional fingerprint plots. This analysis revealed that H⋯H (39.9%), Cl⋯H/H⋯Cl (28.2%) and C⋯H/H⋯C (7.2%) inter­actions are dominant. This unique crystal structure sheds light on arrangement and bonding inter­actions with azo­formamide ligands, and their unique qualities over similar semicarbazone and azo­thio­formamide structures.

The synthetic availability of mol­ecular water oxidation catalysts containing high-valent ions of 3d metals in the active site is a prerequisite to enabling photo- and electrochemical water splitting on a large scale. Herein, the synthesis and crystal structure of di­ammonium {μ-1,3,4,7,8,10,12,13,16,17,19,22-dodeca­aza­tetra­cyclo­[8.8.4.13,17.18,12]tetra­cosane-5,6,14,15,20,21-hexa­onato}ferrate(IV) acetic acid tris­olvate, (NH4)2[FeIV(C12H12N12O6)]·3CH3COOH or (NH4)2[FeIV(L–6H)]·3CH3COOH is reported. The FeIV ion is encapsulated by the macropolycyclic ligand, which can be described as a dodeca-aza-quadricyclic cage with two capping tri­aza­cyclo­hexane fragments making three five- and six six-membered alternating chelate rings with the central FeIV ion. The local coord­ination environment of FeIV is formed by six deprotonated hydrazide nitro­gen atoms, which stabilize the unusual oxidation state. The FeIV ion lies on a twofold rotation axis (multiplicity 4, Wyckoff letter e) of the space group C2/c. Its coordination geometry is inter­mediate between a trigonal prism (distortion angle φ = 0°) and an anti­prism (φ = 60°) with φ = 31.1°. The Fe—N bond lengths lie in the range 1.9376 (13)–1.9617 (13) Å, as expected for tetra­valent iron. Structure analysis revealed that three acetic acid mol­ecules additionally co-crystallize per one iron(IV) complex, and one of them is positionally disordered over four positions. In the crystal structure, the ammonium cations, complex dianions and acetic acid mol­ecules are inter­connected by an intricate system of hydrogen bonds, mainly via the oxamide oxygen atoms acting as acceptors.

The asymmetric unit of the title compound, catena-poly[[[aqua­bis­(pyridine-κN)cadmium(II)]-μ2-4,4'-(1H-1,2,4-triazole-3,5-di­yl)dibenzoato-κ4O,O':O'',O'''] 4.5-hydrate], {[Cd(C16H9N3O4)(C5H5N)2(H2O)]·4.5H2O}n or {[Cd(bct)(py)2(H2O)]·4.5H2O}n (I), consists of a Cd2+ cation coordinated to one bct2– carboxyl­ate dianion, two mol­ecules of pyridine and a water mol­ecule as well as four and a half water mol­ecules of crystallization. The metal ion in I possesses a penta­gonal–bipyramidal environment with the four O atoms of the two bidentately coordinated carboxyl­ate groups and the N atom of a pyridine mol­ecule forming the O4N equatorial plane, while the N atom of another pyridine ligand and the O atom of the water mol­ecule occupy the axial positions. The bct2– bridging ligand connects two metal ions via its carb­oxy­lic groups, resulting in the formation of a parallel linear polymeric chain running along the [1overline{1}1] direction. The coordinated water mol­ecule of one chain forms a strong O—H⋯O hydrogen bond with the carboxyl­ate O atom of a neighboring chain, leading to the formation of double chains with a closest distance of 5.425 (7) Å between the cadmium ions belonging to different chains. Aromatic π–π stacking inter­actions between the benzene fragments of the anions as well as between the coordinated pyridine mol­ecules belonging to different chains results in the formation of sheets oriented parallel to the (overline{1}01) plane. As a result of hydrogen-bonding inter­actions involving the water mol­ecules of crystallization, the sheets are joined together in a three-dimensional network.

The reaction of Co(NCS)2 with 4-methyl­pyridine N-oxide (C6H7NO) leads to the formation of two compounds, namely, tetra­kis­(4-methyl­pyridine N-oxide-κO)bis­(thio­cyanato-κN)cobalt(II), [Co(NCS)2(C6H7NO)4] (1), and tris­(4-methyl­pyridine N-oxide-κO)bis­(thio­cyanato-κN)cobalt(II), [Co(NCS)2(C6H7NO)3] (2). The asymmetric unit of 1 consists of one CoII cation located on a centre of inversion, as well as one thio­cyanate anion and two 4-methyl­pyridine N-oxide coligands in general positions. The CoII cations are octa­hedrally coordinated by two terminal N-bonding thio­cyanate anions in trans positions and four 4-methyl­pyridine N-oxide ligands. In the extended structure, these complexes are linked by C—H⋯O and C—H⋯S inter­actions. In compound 2, two crystallographically independent complexes are present, which occupy general positions. In each of these complexes, the CoII cations are coordinated in a trigonal–bipyramidal manner by two terminal N-bonding thio­cyanate anions in axial positions and by three 4-methyl­pyridine N-oxide ligands in equatorial positions. In the crystal, these complex mol­ecules are linked by C—H⋯S inter­actions. For compound 2, a nonmerohedral twin refinement was performed. Powder X-ray diffraction (PXRD) reveals that 2 was nearly obtained as a pure phase, which is not possible for compound 1. Differential thermoanalysis and thermogravimetry data (DTA–TG) show that compound 2 start to decompose at about 518 K.

A new lanthanide coordination polymer, poly[[tri­aqua­bis­(μ4-phthalato)(μ3-pyridine-2,5-di­carboxyl­ato)dipraseodymium] monohydrate], {[Pr2(C7H3NO4)2(C8H4O4)(H2O)3]·H2O}n or {[Pr2(phth)2(pydc)(H2O)3]·H2O}n, (pydc2− = pyridine-2,5-di­carboxyl­ate and phth2− = phthalate) was synthesized and characterized, revealing the structure to be an assembly of di-periodic {Pr2(pydc)(phth)2(H2O)3}n layers. Each layer is built up by edge-sharing {Pr2N2O14} and {Pr2O16} dimers, which are connected through a new coordin­ation mode of pydc2− and phth2−. These layers are stabilized by inter­nal hydrogen bonds and π–π inter­actions. In addition, a three-dimensional supra­molecular framework is built by inter­layer hydrogen-bonding inter­actions involving the non-coordinated water mol­ecule. Thermogravimetric analysis shows that the title compound is thermally stable up to 400°C.

Lanthanide-containing materials are of inter­est in the field of crystal engin­eering because of their unique properties and distinct structure types. In this context, a new samarium–sodium heterometallic coordination polymer, poly[tetra­kis­(μ2-2-formyl-6-meth­oxy­phenolato)samarium(III)sodium(I)], {[SmNa(C8H7O3)4]·solvent}n (Sm-1), was synthesized and crystallized via slow evaporation from a mixture of ethanol and aceto­nitrile. The compound features alternating SmIII and NaI ions, which are linked by ortho-vanillin (o-vanillin) ligands to form a mono-periodic chain-like coordination polymer. The chains propagate along the [001] direction. Residual electron density of disordered solvent mol­ecules in the void space could not be reasonably modeled, thus the SQUEEZE function was applied. The structural, vibrational, and optical properties are reported.

A CuII coordination polymer, catena-poly[[[aqua­copper(II)]-bis­(μ-4-amino­benz­o­ato)-κ2N:O;κ2O:N] monohydrate], {[Cu(pABA)2(H2O)]·H2O}n (pABA = p-amino­benzoate, C7H4NO2−), was synthesized and characterized. It exhibits a one-dimensional chain structure extended into a three-dimensional supra­molecular assembly through hydrogen bonds and π–π inter­actions. While the twinned crystal shows a metrically ortho­rhom­bic lattice and an apparent space group Pbcm, the true symmetry is monoclinic (space group P2/c), with disordered Cu atoms and mixed roles of water mol­ecules (aqua ligand/crystallization water). The luminescence spectrum of the complex shows an emission at 345 nm, cf. 349 nm for pABAH.

The complex, tri­chlorido­(1,4,11-tri­aza-8-azonia­tetra­cyclo­[6.6.2.04,16.011,15]hexa­decane 1-oxide-κO)zinc(II) monohydrate, [ZnCl3(C12H23N4O)]·H2O, (I), has monoclinic symmetry (space group P21/n) at 120 K. The zinc(II) center adopts a slightly distorted tetra­hedral coordination geometry and is coordinated by three chlorine atoms and the oxygen atom of the oxidized tertiary amine of the tetra­cycle. The amine nitro­gen atom, inside the ligand cleft, is protonated and forms a hydrogen bond to the oxygen of the amine oxide. Additional hydrogen-bonding inter­actions involve the protonated amine, the water solvate oxygen atom, and one of the chloro ligands.

The title compound, [Co(C3H4N2)(C30H30N10)](BF4)2, is a five-coordinate CoII complex based on the neutral ligands tris­[(1-benzyl­triazol-4-yl)meth­yl]amine (tbta) and imidazole. It exhibits a distorted trigonal bipyramidal geometry in which the equatorial positions are occupied by the three N-atom donors from the triazole rings of the tripodal tbta ligand. The apical amine N-atom donor of tbta and the N-atom donor of the imidazole ligand occupy the axial positions of the coordination sphere. Two tetra­fluoro­borate anions provide charge balance in the crystal.

The reaction of lithium hexa­methyl­disilyl­amide, [Li{N(Si(CH3)3)2}] (LiHMDS), with 4,4-dimethyl-2-phenyl-2-oxazoline (Phox, C11H13NO) in hexane produced colourless crystals of bis­(4,4-dimethyl-2-phenyl-2-oxazoline-κN)(hexa­methyl­disilyl­amido-κN)lithium, [Li(C6H18NSi2)(C11H13NO)2] or [Li{N(Si(CH3)3)2}(Phox)2] in high yield (89%). Despite the 1:1 proportion of the starting materials in the reaction mixture, the product formed with a 1:2 amide:oxazoline ratio. In the unit cell of the C2/c space group, the neutral mol­ecules lie on twofold rotation axes coinciding with the Li—N(amide) bonds. The lithium(I) centre adopts a trigonal–planar coordination geometry with three nitro­gen donor atoms, one from the HMDS anion and two from the oxazolines. All ligands are monodentate. In the phenyl­oxazoline units, the dihedral angle defined by the five-membered heterocyclic rings is 35.81 (5)°, while the phenyl substituents are approximately face-to-face, separated by 3.908 (5) Å. In the amide, the methyl groups assume a nearly eclipsed arrangement to minimize steric repulsion with the analogous substituents on the oxazoline rings. The non-covalent inter­actions in the solid-state structure of [Li{N(Si(CH3)3)2}(Phox)2] were assessed by Hirshfeld surface analysis and fingerprint plots. This new compound is attractive for catalysis due to its unique structural features.

The reaction of CoBr2, KNCSe and 2-methyl­pyridine N-oxide (C6H7NO) in ethanol leads to the formation of crystals of [Co(NCSe)2(C6H7NO)3] (1) and [Co(NCSe)2(C6H7NO)4] (2) from the same reaction mixture. The asymmetric unit of 1 is built up of one CoII cation, two NCSe− iso­seleno­cyanate anions and three 2-methyl­pyridine N-oxide coligands, with all atoms located on general positions. The asymmetric unit of 2 consists of two cobalt cations, four iso­seleno­canate anions and eight 2-methyl­pyridine N-oxide coligands in general positions, because two crystallographically independent complexes are present. In compound 1, the CoII cations are fivefold coordinated to two terminally N-bonded anionic ligands and three 2-methyl­pyridine N-oxide coligands within a slightly distorted trigonal–bipyramidal coordination, forming discrete complexes with the O atoms occupying the equatorial sites. In compound 2, each of the two complexes is coordinated to two terminally N-bonded iso­seleno­cyanate anions and four 2-methyl­pyridine N-oxide coligands within a slightly distorted cis-CoN2O4 octa­hedral coordination geometry. In the crystal structures of 1 and 2, the complexes are linked by weak C—H⋯Se and C—H⋯O contacts. Powder X-ray diffraction reveals that neither of the two compounds were obtained as a pure crystalline phase.

The title compound, [Ni(NCS)2(C6H7N)2]n, was prepared by the reaction of Ni(NCS)2 with 4-methyl­pyridine in water. Its asymmetric unit consists of two crystallographically independent NiII cations, of which one is located on a twofold rotational axis whereas the second occupies a center of inversion, two independent thio­cyanate anions and two independent 4-methyl­pyridine co­ligands in general positions. Each NiII cation is octa­hedrally coordinated by two 4-methyl­pyridine coligands as well as two N- and two S-bonded thio­cyanate anions. One of the cations shows an all-trans, the other a cis–cis–trans configuration. The metal centers are linked by pairs of μ-1,3-bridging thio­cyanate anions into [101] chains. X-ray powder diffraction shows that a pure crystalline phase has been obtained and thermogravimetry coupled to differential thermoanalysis reveals that the title compound loses half of the 4-methyl­pyridine coligands and transforms into Ni(NCS)2(C6H7N). Nearly pure samples of this compound can be obtained by thermal annealing and a Rietveld refinement demonstrated that it is isotypic to its recently reported Cd analog [Neumann et al., (2020). CrystEngComm. 22, 184–194] In its crystal structure, the metal cations are linked by one μ-1,3(N,S)- and one μ-1,3,3(N,S,S)-bridging thio­cyanate anion into single chains that condense via the μ-1,3,3(N,S,S)-bridging anionic ligands into double chains.

Through numerical optimization of cooling lengths and cooling groove positions for the first reflection mirror of a free-electron laser [OK?], the root mean square of the height error of the mirror's thermal deformation was minimized. The optimized mirror design effectively mitigated stray light and enhanced the peak intensity of the focus spot at the sample, thereby enhancing the optical performance of the high-heat-load mirror under high repetition rates at beamline FEL-II of the SHINE facility.

In crystallographic texture analysis, ensuring that sample directions are preserved from experiment to the resulting orientation distribution is crucial to obtain physical meaning from diffraction data. This work details a procedure to ensure instrument and sample coordinates are consistent when analyzing diffraction data with a Rietveld refinement using the texture analysis software MAUD. A quartz crystal is measured on the HIPPO diffractometer at Los Alamos National Laboratory for this purpose. The methods described here can be applied to any diffraction instrument measuring orientation distributions in polycrystalline materials.

X-ray scattering has become a major tool in the structural characterization of nanoscale materials. Thanks to the widely available experimental and computational atomic models, coordinate-based X-ray scattering simulation has played a crucial role in data interpretation in the past two decades. However, simulation of real-space pair distance distribution functions (PDDFs) from small- and wide-angle X-ray scattering, SAXS/WAXS, has been relatively less exploited. This study presents a comparison of PDDF simulation methods, which are applied to molecular structures that range in size from β-cyclo­dextrin [1 kDa molecular weight (MW), 66 non-hydrogen atoms] to the satellite tobacco mosaic virus capsid (1.1 MDa MW, 81 960 non-hydrogen atoms). The results demonstrate the power of interpretation of experimental SAXS/WAXS from the real-space view, particularly by providing a more intuitive method for understanding of partial structure contributions. Furthermore, the computational efficiency of PDDF simulation algorithms makes them attractive as approaches for the analysis of large nanoscale materials and biological assemblies. The simulation methods demonstrated in this article have been implemented in stand-alone software, SolX 3.0, which is available to download from https://12idb.xray.aps.anl.gov/solx.html.

The two most abundant CaCO3 polymorphs, calcite and aragonite, are universally recognized for the richness of their morphology to which different twins make relevant contributions. The epitaxial transformation calcite ↔ aragonite has long been debated. While the twinning has been thoroughly treated, the homo-epitaxy occurring within each of these minerals has, inexplicably, been overlooked to date, both experimentally and theoretically. Twinning can be deceptive to the point where it can be mistaken for homo-epitaxy, thus making the proposed growth mechanism in the crystal aggregate wrong. Within the present work, the first aim is a theoretical investigation of the homo-epitaxies among the three {10.4}-cleavage, {01.2}-steep and {01.8}-flat rhombohedra of calcite. Accordingly, the specific adhesion energies were calculated between facing crystal forms, unequivocally showing that the {01.2}/{01.8} homo-epitaxy competes with the generation of both {01.2} and {01.8} contact twins. Secondly, the calculation of the specific adhesion energy was extended to consider homo-epitaxy for the {10.4} rhombohedron. The two-dimensional geometric lattice coincidence has been tried for the {00.1} pinacoidal form as well.

SEOUL, South Korea (AP) — The United States and China, the world's two biggest carbon polluters, agreed to cooperate to curb climate change with urgency, just days before President Joe Biden hosts a virtual summit of world leaders to discuss the issue.

The agreement was reached by U.S. special envoy for climate John Kerry and his Chinese counterpart Xie Zhenhua during two days of talks in Shanghai last week, according to a joint statement.

The two countries "are committed to cooperating with each other and with other countries to tackle the climate crisis, which must be addressed with the seriousness and urgency that it demands," the statement said.

China is the world's biggest carbon emitter, followed by the United States. The two countries pump out nearly half of the fossil fuel fumes that are warming the planet's atmosphere. Their cooperation is key to a success of global efforts to curb climate change, but frayed ties over human rights, trade and China's territorial claims to Taiwan and the South China Sea have been threatening to undermine such efforts.

Meeting with reporters in Seoul on Sunday, Kerry said the language in the statement is "strong" and that the two countries agreed on "critical elements on where we have to go." But the former secretary of state said, "I learned in diplomacy that you don't put your back on the words, you put on actions. We all need to see what happens."

Noting that China is the world's biggest coal user, Kerry said he and Chinese officials had a lot of discussions on how to accelerate a global energy transition. "I have never shied away from expressing our views shared by many, many people that it is imperative to reduce coal, everywhere," he said.

Biden has invited 40 world leaders, including Chinese President Xi Jinping, to the April 22-23 summit. The U.S. and other countries are expected to announce more ambitious national targets for cutting carbon emissions ahead of or at the meeting, along with pledging financial help for climate efforts by less wealthy nations.

It's unclear how much Kerry's China visit would promote U.S.-China cooperation on climate issues.

While Kerry was still in Shanghai, Chinese Vice Foreign Minister Le Yucheng signaled Friday that China is unlikely to make any new pledges at next week's summit.

"For a big country with 1.4 billion people, these goals are not easily delivered," Le said during an interview with The Associated Press in Beijing. "Some countries are asking China to achieve the goals earlier. I am afraid this is not very realistic."

During a video meeting with German and French leaders Friday, Xi said that climate change "should not become a geopolitical chip, a target for attacking other countries or an excuse for trade barriers," the official Xinhua News Agency reported.

On whether Xi would join the summit, Le said "the Chinese side is actively studying the matter."

The joint statement said the two countries "look forward to" next week's summit. Kerry said Sunday that "we very much hope that (Xi) will take part" in the summit but it's up to China to make that decision.

Biden, who has said that fighting global warming is among his highest priorities, had the United States rejoin the historic 2015 Paris climate accord in the first hours of his presidency, undoing the U.S. withdrawal ordered by predecessor Donald Trump.

Major emitters of greenhouse gases are preparing for the next U.N. climate summit taking place in Glasgow, U.K., in November. The summit aims to relaunch global efforts to keep rising global temperatures to below 1.5 degrees Celsius (2.7 degrees Fahrenheit) as agreed in the Paris accord.

According to the U.S.-China statement, the two countries would enhance "their respective actions and cooperating in multilateral processes, including the United Nations Framework Convention on Climate Change and the Paris Agreement."

It said both countries also intend to develop their respective long-term strategies before the Glasgow conference and take "appropriate actions to maximize international investment and finance in support of" the energy transition in developing countries.

Xi announced last year that China would be carbon-neutral by 2060 and aims to reach a peak in its emissions by 2030. In March, China's Communist Party pledged to reduce carbon emissions per unit of economic output by 18% over the next five years, in line with its goal for the previous five-year period. But environmentalists say China needs to do more.

Biden has pledged the U.S. will switch to an emissions-free power sector within 14 years, and have an entirely emissions-free economy by 2050. Kerry is also pushing other nations to commit to carbon neutrality by then.

This content is from Southern California Public Radio. View the original story at SCPR.org.

The Challenge is part of Small Steps to Health and Wealth�, a national Cooperative Extension program developed to motivate Americans to take action to simultaneously improve their health and personal finances. SSHW was built around a framework of 25 research-based behavior change strategies. The Challenge was originally developed in a �paper and pencil� format with printed worksheets and is now available online.

Jeff Carpenter, who will begin new duties as Cooperative Extension Director on September 1, 2010, will oversee delivery of services to meet the Extension mission of sustaining agriculture and forestry, protecting the environment, maintaining viable communities, developing responsible youth and developing strong, healthy and safe families.