The title SiIV complex, C16H21NO3Si, is built up by a tridentate dinegative Schiff base ligand bound to a sila­cyclo­hexane unit. The coordination geometry of the penta­coordinated SiIV atom is a distorted trigonal bipyramid. The presence of the sila­cyclo­hexane ring in the complex leads to an unusual coordination geometry of the SiIV atom with the N atom from the Schiff base ligand and an alkyl-C atom in apical positions of the trigonal bipyramid. There is a disorder of the methyl group at the imine bond with two orientations resolved for the H atoms [major orientation = 0.55 (3)]. In the crystal, C—H⋯O inter­actions are found within corrugated layers of mol­ecules parallel to the ab plane.

The mol­ecule of the title NCNHCS pincer N-heterocyclic carbene palladium(II) complex, [PdBr(C21H25N3S)]Br, exhibits a slightly distorted square-planar coordination at the palladium(II) atom, with the five-membered chelate ring nearly planar. The six-membered chelate ring adopts an envelope conformation. Upon chelation, the sulfur atom becomes a stereogenic centre with an RS configuration induced by the chiral carbon of the precursor imidazolium salt. There are intra­molecular C—H⋯Br—Pd hydrogen bonds in the structure. The two inter­stitial Br atoms, as the counter-anion of the structure, are both located on crystallographic twofold axes and are connected to the complex cations via C—H⋯·Br hydrogen bonds.

The title compound, [RuGa2Cl6(C7H8)(CO)2] or [(CO)2(GaCl2)(η6-toluene)Ru]+[GaCl4]−, was isolated from the reaction of Ga2Cl4 with di­phenyl­silanediol in toluene, followed by the addition of Ru3(CO)12. The compound contains a ruthenium–gallium metal–metal bond with a length of 2.4575 (2) Å.

The crystal structure of 1,4-bis­(neopent­yloxy)pillar[5]arene, C95H140N2O10 (TbuP), featuring two encapsulated pyridine mol­ecules, reveals significant host–guest inter­actions. Inter­estingly, the pyridine guests are positioned near the neopent­yloxy substituents instead of the electron-rich aromatic core of the pillar[5]arene. This spatial arrangement suggests a preference for the pyridine mol­ecules to engage with the aliphatic regions of the host. Detailed analysis of the structural characteristics of this host–guest system (TbuP·2Py), as well as its packing pattern within the crystal network, is presented and discussed.

To identify starting points for therapeutics targeting SARS-CoV-2, the Paul Scherrer Institute and Idorsia decided to collaboratively perform an X-ray crystallographic fragment screen against its main protease. Fragment-based screening was carried out using crystals with a pronounced open conformation of the substrate-binding pocket. Of 631 soaked fragments, a total of 29 hits bound either in the active site (24 hits), a remote binding pocket (three hits) or at crystal-packing interfaces (two hits). Notably, two fragments with a pose that was sterically incompatible with a more occluded crystal form were identified. Two isatin-based electrophilic fragments bound covalently to the catalytic cysteine residue. The structures also revealed a surprisingly strong influence of the crystal form on the binding pose of three published fragments used as positive controls, with implications for fragment screening by crystallography.

Cryo-electron tomography (cryo-ET) enables molecular-resolution 3D imaging of complex biological specimens such as viral particles, cellular sections and, in some cases, whole cells. This enables the structural characterization of molecules in their near-native environments, without the need for purification or separation, thereby preserving biological information such as conformational states and spatial relationships between different molecular species. Subtomogram averaging is an image-processing workflow that allows users to leverage cryo-ET data to identify and localize target molecules, determine high-resolution structures of repeating molecular species and classify different conformational states. Here, STOPGAP, an open-source package for subtomogram averaging that is designed to provide users with fine control over each of these steps, is described. In providing detailed descriptions of the image-processing algorithms that STOPGAP uses, this manuscript is also intended to serve as a technical resource to users as well as for further community-driven software development.

Molecular structures can be determined in vitro and in situ with cryo-electron microscopy (cryo-EM). Specimen preparation is a major obstacle in cryo-EM. Typical sample preparation is orders of magnitude slower than biological processes. Time-resolved cryo-EM (TR-cryo-EM) can capture short-lived states. Here, Cryo-EM sample preparation with light-activated molecules (C-SPAM) is presented, an open-source, photochemistry-coupled device for TR-cryo-EM that enables millisecond resolution and tunable timescales across broad biological applications.

At room temperature, the title salt, C7H10NO+·Cl−, is ortho­rhom­bic, space group Pbca with Z' = 1, as previously reported [Zhao (2009). Acta Cryst. E65, o2378]. Between 250 and 200 K, there is a solid-state phase transition to a twinned monoclinic P21/c structure with Z' = 2. We report the high temperature structure at 250 K and the low-temperature structure at 100 K. In the low-temperature structure, the –NH3 hydrogen atoms are ordered and this group has a different orientation in each independent mol­ecule, in keeping with optimizing N—H⋯Cl hydrogen bonding, some of which are bifurcated: these hydrogen bonds have N⋯Cl distances in the range 3.1201 (8)–3.4047 (8) Å. In the single cation of the high-temperature structure, the NH hydrogen atoms are disordered into the average of the two low-temperature positions and the N⋯Cl hydrogen bond distances are in the range 3.1570 (15)–3.3323 (18) Å. At both temperatures, the meth­oxy group is nearly coplanar with the rest of the mol­ecule, with the C—C—O—C torsion angles being −7.0 (2)° at 250 K and −6.94 (12) and −9.35 (12)° at 100 K. In the extended ortho­rhom­bic structure, (001) hydrogen-bonded sheets occur; in the monoclinic structure, the sheets propagate in the (010) plane.

Syntheses of the acyclic amidinium salts, morpholino­formamidinium hexa­fluorido­phosphate [OC4H8N—CH=NH2]PF6 or C5H11N2O+·PF6−, 1, and pyrrolidinoformamidinium hexa­fluorido­phosphate [C4H8N—CH= NH2]PF6 or C5H11N2+·PF6−, 2, were carried out by heating either morpholine or pyrrolidine with triethyl orthoformate and ammonium hexa­fluorido­phosphate. Crystals of 1 obtained directly from the reaction mixture contain one cation and one anion in the asymmetric unit. The structure involves cations linked in chains parallel to the b axis by N—H⋯O hydrogen bonds in space group Pbca, with glide-related chains pointing in opposite directions. Crystals of 1 obtained by recrystallization from ethanol, however, showed a similar unit cell and the same basic structure, but unexpectedly, there was positional disorder [occupancy ratio 0.639 (4):0.361 (4)] in one of the cation chains, which lowered the crystal symmetry to the non-centrosymmetric space group Pca21, with two cations and anions in the asymmetric unit. In the pyrrolidino compound, 2, cations and anions are ordered and are stacked separately, with zigzag N—H⋯F hydrogen-bonding between stacks, forming ribbons parallel to (101), extended along the b-axis direction. Slight differences in the delocalized C=N distances between the two cations may reflect the inductive effect of the oxygen atom in the morpholino compound.

The title com­pound, C13H11NO, adopts an E configuration about the C=C double bond. The pyrrole ring is inclined to the phenyl ring at an angle of 44.94 (8)°. In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds, forming ribbons parallel to (020) in zigzag C(7) chains along the a axis. These ribbons are connected via C—H⋯π inter­actions, forming a three-dimensional network. No significant π–π inter­actions are observed.

Two compounds, (S)-8-{[(tert-butyl­dimethyl­sil­yl)­oxy]meth­yl}-1-[(2,2,4,6,7-penta­methyl-2,3-di­hydro­benzo­furan-5-yl)sulfon­yl]-1,3,4,6,7,8-hexa­hydro-2H-pyrimido[1,2-a]pyrimidin-1-ium tri­fluoro­methane­sulfonate, C27H46N3O4SSi+·CF3O3S−, (1) and (S)-8-(iodo­meth­yl)-1-tosyl-1,3,4,6,7,8-hexa­hydro-2H-pyrimido[1,2-a]pyrimidin-1-ium iodide, C15H21IN3O2S+·I−, (2), have been synthesized and characterized. They are bicyclic guanidinium salts and were synthesized from N-(tert-but­oxy­carbon­yl)-l-me­thio­nine (Boc-l-Met-OH). The guanidine is protected by a 2,2,4,6,7-penta­methyl­dihydro­benzo­furan-5-sulfonyl (Pbf, 1) or a tosyl (2) group. In the crystals of both compounds, the guanidinium group is almost planar and the N–H forms an intra­molecular hydrogen bond in a six-membered ring to the oxygen atom of the sulfonamide protecting group.

The neutral organosilicon(IV) complex, (C6F5)2Si(OPO)2 (OPO = 1-oxopyridin-2-one, C5H4NO2), was synthesized from (C6F5)2Si(OCH3)2 and 2 equiv. of 1-hy­droxy­pyridin-2-one in tetra­hydro­furan (THF). Single crystals grown from the diffusion of n-pentane into a THF solution were identified as a THF hemisolvate and an n-pentane hemisolvate, (C6F5)2Si(OPO)2·0.5THF·0.5C5H12 (1). p-Tol­yl2Si(OPO)2 (2) and mesit­yl2Si(OPO)2 (3) crystallized directly from reaction mixtures of 2 equiv. of Me3Si(OPO) with p-tol­yl2SiCl2 and mesit­yl2SiCl2, respectively, in aceto­nitrile. The oxygen-bonded carbon and nitro­gen atoms of the OPO ligands in 1, 2, and 3 were modeled as disordered indicating co-crystallization of up to three possible diastereomers in each. Solution NMR studies support the presence of exclusively the all-cis isomer in 1 and multiple isomers in 2. Poor solubility of 3 limited its characterization in solution.

The asymmetric unit of the title compound, 2C31H28N2O4S·C2H6O, contains a parent mol­ecule and a half mol­ecule of ethanol solvent. The main compound stabilizes its mol­ecular conformation by forming a ring with an R12(7) motif with the ethanol solvent mol­ecule. In the crystal, mol­ecules are connected by C—H⋯O and O—H⋯O hydrogen bonds, forming a three-dimensional network. In addition, C—H⋯π inter­actions also strengthen the mol­ecular packing.

Treatment of 3-(3,4-di­hydroxy­phen­yl)propenoic acid (caffeic acid or 3,4-di­hydroxy­cinnamic acid) with the alkali hydroxides MOH (M = Li, Na) in aqueous solution led to the formation of poly[aqua­[μ-3-(3,4-di­hydroxy­phen­yl)propenoato]lithium], [Li(C9H7O4)(H2O)]n, 1, and poly[aqua­[μ-3-(3,4-di­hydroxy­phen­yl)propenoato]sodium], [Na(C9H7O4)(H2O)]n, 2. The crystal structure of 1 consists of a lithium cation that is coordinated nearly tetra­hedrally by three carboxyl­ate oxygen atoms and a water mol­ecule. The carboxyl­ate groups adopt a μ3-κ3O:O':O' coordination mode that leads to a chain-like catenation of Li cations and carboxyl­ate units parallel to the b axis. Moreover, the lithium carboxyl­ate chains are connected by hydrogen bonds between water mol­ecules attached to lithium and catechol OH groups. The crystal structure of 2 shows a sevenfold coordination of the sodium cation by one water mol­ecule, two monodentately binding carboxyl­ate groups and four oxygen atoms from two catechol groups. The coordination polyhedra are linked by face- and edge-sharing into chains extending parallel to the b axis. The chains are inter­linked by the bridging 3-(3,4-di­hydroxy­phen­yl)propenoate units and by inter­molecular hydrogen bonds to form the tri-periodic network.

Carb­oxy­hydrazides are widely used in medicinal chemistry because of their medicinal properties and many drugs have been developed containing this functional group. A suitable inter­mediate to obtain potential hydrazide drug candidates is the title compound 5-hy­droxy­penta­nehydrazide, C5H12N2O2 (1). The aliphatic compound can react both via the hydroxyl and hydrazide moieties forming derivatives, which can inhibit Mycobacterium tuberculosis catalase-peroxidase (KatG) and consequently causes death of the pathogen. In this work, the hydrazide was obtained via a reaction of a lactone with hydrazine hydrate. The colourless prismatic single crystals belong to the ortho­rhom­bic space group Pca21. Regarding supra­molecular inter­actions, the compound shows classic medium to strong inter­molecular hydrogen bonds involving the hydroxyl and hydrazide groups. Besides, the three-dimensional packing also shows weak H⋯H and C⋯H contacts, as investigated by Hirshfeld surface analysis (HS) and fingerprint plots (FP).

The title compound (C14H23N3S, common name: cis-jasmone 4-ethyl­thio­semicarbazone) was synthesized by the equimolar reaction of cis-jasmone and 4-ethyl­thio­semicarbazide in ethanol facilitated by acid catalysis. There is one crystallographically independent mol­ecule in the asymmetric unit, which shows disorder of the terminal ethyl group of the jasmone carbon chain [site-occupancy ratio = 0.911 (5):0.089 (5)]. The thio­semicarbazone entity [N—N—C(=S)—N] is approximately planar, with the maximum deviation of the mean plane through the N/N/C/S/N atoms being 0.0331 (8) Å, while the maximum deviation of the mean plane through the five-membered ring of the jasmone fragment amounts to −0.0337 (8) Å. The dihedral angle between the two planes is 4.98 (7)°. The mol­ecule is not planar due to this structural feature and the sp3-hybridized atoms of the jasmone carbon chain. Additionally, one H⋯N intra­molecular inter­action is observed, with graph-set motif S(5). In the crystal, the mol­ecules are connected through pairs of H⋯S inter­actions with R22(8) and R21(7) graph-set motifs into centrosymmetric dimers. The dimers are further connected by H⋯N inter­actions with graph-set motif R22(12), which are related by an inversion centre, forming a mono-periodic hydrogen-bonded ribbon parallel to the b-axis. The crystal structure and the supra­molecular assembly of the title compound are compared with four known cis-jasmone thio­semicarbazone derivatives (two crystalline modifications of the non-substituted form, the 4-methyl and the 4-phenyl derivatives). A Hirshfeld surface analysis indicates that the major contributions for the crystal cohesion are from H⋯H (70.7%), H⋯S/S⋯H (13.5%), H⋯C/C⋯H (8.8%), and H⋯N/N⋯H (6.6%) inter­faces (only the disordered atoms with the highest s.o.f. were considered for the evaluation).

The asymmetric unit of the title compound, C25H18N6·H2O, comproses two mol­ecules (I and II), together with a water mol­ecule. The terminal phenyl groups attached to the methyl groups of the mol­ecules I and II do not overlap completely, but are approximately perpendicular. In the crystal, the mol­ecules are connected by N—H⋯N, C—H⋯N, O—H⋯N and N—H⋯O hydrogen bonds with each other directly and through water mol­ecules, forming layers parallel to the (001) plane. C—H⋯π inter­actions between these layers ensure the cohesion of the crystal structure. A Hirshfeld surface analysis indicates that H⋯H (39.1% for mol­ecule I; 40.0% for mol­ecule II), C⋯H/H⋯C (26.6% for mol­ecule I and 25.8% for mol­ecule II) and N⋯H/H⋯N (24.3% for mol­ecules I and II) inter­actions are the most important contributors to the crystal packing.

The title copper(II) complex, [Cu(C18H19N3O3)(C3H4N2)], consists of a tridentate ligand synthesized from l-leucine and azo­benzene-salicyl­aldehyde. One imidazole mol­ecule is additionally coordinated to the copper(II) ion in the equatorial plane. The crystal structure features N—H⋯O hydrogen bonds. A Hirshfeld surface analysis indicates that the most important contributions to the packing are from H⋯H (52.0%) and C⋯H/H⋯C (17.9%) contacts.

In the title compound, C24H21NO3S, the cyclopentene ring adopts an envelope conformation. In the crystal, mol­ecules are linked by C—H⋯π inter­actions, forming ribbons along the a axis. Inter­molecular C—H⋯O hydrogen bonds connect these ribbons to each other, forming layers parallel to the (0overline{1}1) plane. The mol­ecular packing is strengthened by van der Waals inter­actions between the layers. The inter­molecular contacts were qu­anti­fied using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing the relative contributions of the contacts to the crystal packing to be H⋯H 46.0%, C⋯H/H⋯C 21.1%, O⋯H/H⋯O 20.6% and S⋯H/H⋯S 9.0%.

The reaction of copper(II) oxalate and hexa­methyl­ene­tetra­mine in a deep eutectic solvent made of urea and choline chloride produced crystals of penta­amine­copper(II) dichloride–urea (1/1), [Cu(NH3)5]Cl2·CO(NH2)2, which was characterized by single-crystal X-ray diffraction. The complex contains discrete penta­amine­copper(II) units in a square-based pyramidal geometry. The overall structure of the multi-component crystal is dictated by hydrogen bonding between urea mol­ecules and amine H atoms with chloride anions.

This title compound, C20H26O2, was isolated from the benzene fraction of the stem bark of Staudtia kamerunensis Warb. (Myristicaceae) using column chromatography techniques over silica gel. The compound was fully characterized by single-crystal X-ray diffraction, one and two-dimensional NMR spectroscopy, IR and MS spectrometry. The compound has two fused cyclo­hexane rings attached to a benzene ring, with a carb­oxy­lic acid on C-4. This cyclo­hexene ring has a chair conformation while the other adopts a half-chair conformation. The benzene ring is substituted with a propenyl moiety. The structure is characterized by inter­molecular O—H⋯O hydrogen bonds, two C—H⋯O intra­molecular hydrogen bonds and two C—H⋯π inter­actions. The mol­ecular structure confirms previous studies carried out by spectroscopic techniques.

In the title compound, C14H14O4, the dihedral angle between the coumarin ring system (r.m.s deviation = 0.016 Å) and the penta­noate ring is 36.26 (8)°. A short intra­molecular C—H⋯O contact of 2.40 Å is observed. Hirshfeld surface analysis reveals that 46.1% of the inter­molecular inter­actions are from H⋯H contacts, 28.6% are from H⋯O/O⋯H contacts and 14.7% are from H⋯C/C⋯H.

The dinuclear mol­ecule of the title compound, [Mo2(C9H13)2(CO)6] or [Mo(tBuCp)(CO)3]2 where tBu and Cp are tert-butyl and cyclo­penta­dienyl, is centrosymmetric and is characterized by an Mo—Mo bond length of 3.2323 (3) Å. Imposed by inversion symmetry, the tBuCp and the carbonyl ligands are in a transoid arrangement to each other. In the crystal, inter­molecular C—H⋯O contacts lead to the formation of layers parallel to the bc plane.

This study presents the synthesis, characterization and Hirshfeld surface analysis of the title mononuclear complex, [PdCl2(C12H14N4)]·C3H7NO. The compound crystalizes in the P21/c space group of the monoclinic system. The asymmetric unit contains one neutral complex Pd(HLc-Pe)Cl2 [HLc-Pe is 2-(3-cyclo­pentyl-1,2,4-triazol-5-yl)pyridine] and one mol­ecule of DMF as a solvate. The Pd atom has a square-planar coordination. In the crystal, mol­ecules are linked by inter­molecular N—H⋯O and C—H⋯N hydrogen bonds, forming layers parallel to the bc plane. A Hirshfeld surface analysis showed that the H⋯H contacts dominate the crystal packing with a contribution of 41.4%. The contribution of the N⋯H/H⋯N and H⋯O/O⋯H inter­actions is somewhat smaller, amounting to 12.4% and 5%, respectively.

The mol­ecule of the title compound, [Ni(C5H7O2)2(C8H9N3)(H2O)]·C2H5OH, has triclinic (Poverline{1}) symmetry. This compound is of inter­est for its anti­microbial properties. The asymmetric unit comprises two independent complex mol­ecules, which are linked by N—H⋯O and O—H⋯O hydrogen bonds along [111]. Hirshfeld surface analysis indicates that 71.7% of inter­mol­ecular inter­actions come from H⋯H contacts, 17.7% from C⋯H/H⋯C contacts and 7.6% from O⋯H/H⋯O contacts, with the remaining contribution coming from N⋯H/H⋯N, C⋯N/N⋯C, C⋯C and O⋯O contacts.

The title hydrated mol­ecular salt, C19H15N4+·Cl−·2.5H2O, has two tri­phenyl­tetra­zolium cations, two chloride anions and five water mol­ecules in the asymmetric unit. The cations differ in the conformations of the phenyl rings with respect to the heterocyclic core, most notably for the C-bonded phenyl ring, for which the N—C—C—C torsion angles differ by 36.4 (3)°. This is likely a result of one cation accepting an O—H⋯N hydrogen bond from a water mol­ecule [O⋯N = 3.1605 (15) Å], while the other cation accepts no hydrogen bonds. In the extended structure, the water mol­ecules are involved in centrosymmetric (H2O)2Cl2 rings as well as (H2O)4 chains. An unusual O—H⋯π inter­action and weak C—H⋯O and C—H⋯Cl hydrogen bonds are also observed.

In the title compound, (C5H7N2)5[TeV9O28], the tellurium and vanadium atoms are statistically disordered over two of the ten metal-atom sites in the [TeV9O28]5– heteropolyanion. The anions stack along [100] and are extended into a three-dimensional supra­molecular network through N—H⋯O and weak C—H⋯O hydrogen bonds involving the self-assembled 2-amino­pyridinium penta­mers, which are linked by C—H⋯π and π–π stacking inter­actions. The most important contributions to the Hirshfeld surface arise from O⋯H/H⋯O (54.8%), H⋯H (17.8%) and C⋯H/H⋯C (13.4%) contacts.

Recently, we introduced the liquid application method for time-resolved analyses (LAMA). The time-consuming cleaning cycles required for the substrate solution exchange and storage of the sensitive droplet-dispenser nozzles present practical challenges. In this work, a dispenser cleaning system for the semi-automated cleaning of the piezo-actuator-driven picolitre-droplet dispensers required for LAMA is introduced to streamline typical workflows.

BioXTAS RAW is a free open-source program for reduction, analysis and modelling of biological small-angle scattering data. Here, the new developments in RAW version 2 are described. These include improved data reduction using pyFAI; updated automated Guinier fitting and Dmax finding algorithms; automated series (e.g. size-exclusion chromatography coupled small-angle X-ray scattering or SEC-SAXS) buffer- and sample-region finding algorithms; linear and integral baseline correction for series; deconvolution of series data using regularized alternating least squares (REGALS); creation of electron-density reconstructions using electron density via solution scattering (DENSS); a comparison window showing residuals, ratios and statistical comparisons between profiles; and generation of PDF reports with summary plots and tables for all analysis. Furthermore, there is now a RAW API, which can be used without the graphical user interface (GUI), providing full access to all of the functionality found in the GUI. In addition to these new capabilities, RAW has undergone significant technical updates, such as adding Python 3 compatibility, and has entirely new documentation available both online and in the program.

In antiquity, Pb was a common element added in the production of large bronze artifacts, especially large statues, to impart fluidity to the casting process. As Pb does not form a solid solution with pure Cu or with the Sn–Cu alloy phases, it is normally observed in the metal matrix as globular droplets embedded within or in interstitial positions among the crystals of Sn-bronze (normally the α phase) as the last crystallizing phase during the cooling process of the Cu–Sn–Pb ternary melt. The disequilibrium Sn content of the Pb droplets has recently been suggested as a viable parameter to detect modern materials [Shilstein, Berner, Feldman, Shalev & Rosenberg (2019). STAR Sci. Tech. Archaeol. Res. 5, 29–35]. The application assumes a time-dependent process, with a timescale of hundreds of years, estimated on the basis of the diffusion coefficient of Sn in Pb over a length of a few micrometres [Oberschmidt, Kim & Gupta (1982). J. Appl. Phys. 53, 5672–5677]. Therefore, Pb inclusions in recent Sn-bronze artifacts are actually a metastable solid solution of Pb–Sn containing ∼3% atomic Sn. In contrast, in ancient artifacts, unmixing processes and diffusion of Sn from the micro- and nano-inclusions of Pb to the matrix occur, resulting in the Pb inclusions containing a substantially lower or negligible amount of Sn. The Sn content in the Pb inclusions relies on accurate measurement of the lattice parameter of the phase in the Pb–Sn solid solution, since for low Sn values it closely follows Vegard's law. Here, several new measurements on modern and ancient samples are presented and discussed in order to verify the applicability of the method to the detection of modern artwork pretending to be ancient.

This article presents a web-based framework to build a database without in-depth programming knowledge given a set of CIF dictionaries and a collection of CIFs. The framework consists of two main elements: the public site that displays the information contained in the CIFs in an ordered manner, and the restricted administrative site which defines how that information is stored, processed and, eventually, displayed. Thus, the web application allows users to easily explore, filter and access the data, download the original CIFs, and visualize the structures via JSmol. The modulated structures open database B-IncStrDB, the official International Union of Crystallography repository for this type of material and available through the Bilbao Crystallographic Server, has been re-implemented following the proposed framework.

Off-Ramp's Rosalie Atkinson, her dad, and her dad's mustache circa quite a few facial hair fads ago. (Credit: Rosalie Atkinson); Credit:

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Father's Day is coming quick! But before you run to Walgreen's Sunday morning to find they are sold out of touching cards for the father figure in your life, let us help you curate a fun day out with dad.

Thinking about significant-figure holidays, there seems to be more of a method for planning Mother's Day surprises. You get the breakfast-in-bed together quietly for mom or grandma or aunt, etc., wake her up early on a Sunday, she quickly scrambles to hide the fact that she decided to sleep pantsless, then you present her with some poorly made waffles and juice which she will inevitably spill on her white sheets.

But what about your father-figure? A card? Yes. Maybe a golf ball? Okay. A mug you Amazon Prime'd to him in a last-ditch effort that says "Captain Dad?" Don't do that. It might be weird to ask the men in our life, "What the hell do you want?" under the veil of Father's Day, so to spare you we've compiled some ideas.

Idea #1: Take your father to get pampered! Spa days are are not gender-specific and when was the last time someone even looked at your dad's feet? Hollywood salon Hammer & Nails focuses on men's cuticle care. Treat your dad to a MANi-pedi, and he'll also enjoy a glass of bourbon, a personal flatscreen TV with noise-cancelling headphones, all while relaxing in an over-sized leather chair. Although Hammer & Nails targets men, women are also welcome. 8257 Melrose Ave, Los Angeles, CA 90046.

Idea #2: Take in a tasting. Greenbar Distillery is LA's first spirit distillery since the Prohibition was repealed in 1933. They boast the "World's largest portfolio of organic spirits." Take a tour, pose with their gigantic copper stills and whiskey barrels, sign up for a class, or just taste some of their 16 spirits and five bitters. Their tours are reserved for Saturday so consider this a pregame to your other Father's Day plans. 2459 E 8th St, Los Angeles, California, 90021.

Idea #3: Younger kids? Let's play! Sunday, the Autry Museum of the American West is opening a new exhibit about the history of play. Experience the next generation of toys and games, but also see how they differ across generations and cultures. The exhibit is very interactive and the museum is in beautiful Griffith Park, so there are plenty of hiking trails, picnic spots, or viewpoints to snap some pictures with your man/men.  234 Museum Drive, Los Angeles, CA 90065 .

Idea #4: The Abbey's annual Father's Day Brunch. For the past six years, The Abbey in West Hollywood has hosted a brunch in celebration of LGBT families or those considering starting one. There will be a breakfast buffet from 9am-1pm and attendees can get more info about fostering opportunities. $18 per person. 692 N Robertson Blvd, West Hollywood, CA 90069 .

Much love to all the dads, uncles, grandpas, friends, and men nurturing other people!

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

Saudi Arabia-based fintech infrastructure platform Lean Technologies has raised USD 67.5 million in a Series B funding round to scale its Pay-by-Bank and Open Banking offerings.

USGS groundwater and surface water monitoring data contributed to the Pennsylvania Department of Environmental Protection's (PaDEP) November 1, 2024, declarations of drought watches and warnings for 35 Pennsylvania counties.

Geologists from the Yellowstone Volcano Observatory are often asked to estimate how likely future eruptions are at Yellowstone, but it’s no walk in the national park.

Michael Ballanger of GGM Advisory Inc. shares his thoughts on the silver market and shares one copper stock he believes is a Strong Speculative Buy even though the stock is currently halted.

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A new study shows that the West Antarctic Peninsula is experiencing some of the most rapid climate change on Earth, featuring dramatic increases in temperatures, retreats in glaciers and declines in sea ice. The Southern Ocean absorbs nearly half of the carbon dioxide -- the key greenhouse gas linked to climate change -- that is absorbed by all the world's oceans. The study tapped an unprecedented 25 years of oceanographic measurements in the Southern Ocean and highlights the need for more monitoring in the region. The research revealed that carbon dioxide absorption by surface waters off the West Antarctic Peninsula is linked to the stability of the upper ocean, along with the amount and type of algae present. A stable upper ocean provides algae with ideal growing conditions. During photosynthesis, algae remove carbon dioxide from the surface ocean, which in turn draws carbon dioxide out of the atmosphere. From 1993 to 2017, changes in sea ice dynamics off the West Antarctic Peninsula stabilized the upper ocean, resulting in greater algal concentrations and a shift in the mix of algal species. That's led to a nearly five-fold increase in carbon dioxide absorption during the summertime. The research also found a strong north-south difference in the trend of carbon dioxide absorption. The southern portion of the peninsula, which to date has been less impacted by climate change, experienced the most dramatic increase in carbon dioxide absorption, demonstrating the poleward progression of climate change in the region.

Image credit: Drew Spacht/The Ohio State University

Wearing a rainbow sequin gown she designed herself in honor of Pride Month, Kataluna Enriquez made history last weekend when she was crowned Miss Nevada USA — the win will make her the first openly transgender contestant to compete in the upcoming Miss USA pageant this fall.

"My win is our win," she posted afterward on her Instagram in a message to the LGBTQ community. "We just made history. Happy pride."

Enriquez, who was also Miss Nevada USA's first trans contestant, beat out 21 other women for the top spot. She will represent the Silver State at the 2021 Miss USA pageant that will be held on Nov. 29 in Tulsa, Okla., where she will have a chance to be crowned Miss USA and advance to the Miss Universe pageant.

If crowned Miss USA, Enriquez will become the second trans contestant to compete for Miss Universe, after Angela Ponce, who represented Spain in the 2018 Miss Universe pageant. The pageant began allowing transgender contestants in 2012.

Enriquez began competing in pageants in 2015. Unable to afford custom designer gowns that fit her body at the time, she began designing her own to wear for competitions and eventually started her own line, Kataluna Kouture (@katalunakouture). In March, Enriquez became the first trans woman to win Miss Nevada's preliminary pageant, Miss Silver State USA.

The journey has not been easy, and Enriquez has faced discrimination. While competing in a pageant outside of Nevada, she had not been given a roommate when pageant organizers learned she was trans. A doctor had also been sent to certify that she was a woman before she could continue.

But Enriquez told NPR's Weekend All Things Considered that her determination to make history was what motivated her to keep competing.

"I had a purpose and I had a dream," she said. "I wanted to compete on the Miss USA stage. When I was young, I always wanted to see someone on the Miss USA stage — someone like me. And it just happened to be that I was the person that I needed to make history."

As she prepares for the Miss USA pageant, Enriquez said she plans to advocate for equality and mental health.

"My win is not just a win for the trans community," she said. "It's a win for all women to be represented."

Kalyani Saxena and Tinbete Ermyas produced and edited the audio version of this story. Josie Fischels produced for the web. Josie Fischels is an intern on NPR's News Desk.

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

“The technology services industry, at some level, is recession proof,” Premji said at the company’s 76th annual general meeting on Tuesday. “In good times, clients spend on new initiatives and business transformation and serving customers digitally. They focus on reducing costs when times are not so good,” he said addressing a question on inflation concerns.

Microsoft-owned OpenAI has announced the general availability of its latest text-generating model GPT-4, through its API.

The facility is now testing biodiesel fuel being produced by several companies in the region and from the harvest of crops growing around the landfill to test which ones grow best in the local climate while producing the best oils for biodiesel.

Work is under way to ready the Conover Branch Library for re-opening on Tuesday, September 20. Staff and volunteers are unpacking boxes of library materials and arranging furniture. The new branch address is 403 Conover Station, SE, in the Warlong Building on the former Broyhill plant property along the railroad tracks downtown.

The Library re-opened for business in newly renovated space on the top floor of Conover Station. Its new address is 403 Conover Station, SE, in a 1918 structure erected for the Warlong Glove Manufacturing Company. Business hours will remain unchanged: 12 to 8 p.m. Tuesday, 9- 6 p.m. Wednesday through Friday and 9 - 2 on Saturday.

The Catawba County Public Health Dental Practice celebrated a �grand re-opening� on May 31 by welcoming visitors to an open house at its new space inside the Public Health building. Located just down the hall from its former location, the practice has doubled in size and capacity in order to provide a comprehensive dental home for children ages 1-21 in Catawba County.

Bed Bath & Beyond Inc., headquartered in Union NJ, has chosen to locate one of its data center facilities in Claremont, Catawba County. The company will locate the data center in the 48,000 square foot Center Point shell building in the Claremont International Business Park on Kelly Drive. Bed Bath & Beyond�s investment is expected to equal or exceed $36,800,000 and the new facility will create a minimum of 7 new jobs by the end of 2018.

Catawba County will mail data verification, income and expense request, to property owners as 2015 revluation process continues on May 17, 2013. Owners are requested to verify the information found on the data verification sheet, provide pertinent additional information and make any necessary corrections, and return the form to the revaluation office. http://www.catawbacountync.gov/events/revalmailer13.asp

New York City public schools will stop offering remote learning options in the coming school year, Mayor Bill de Blasio said on Monday.; Credit: Tayfun Coskun/Anadolu Agency via Getty Images

New York City Mayor Bill de Blasio is promising a full reopening of the nation's largest public school system in September. That means in person, five days a week, with no remote option for students to attend school exclusively online. He made the announcement on MSNBC's Morning Joe on Monday.

"You can't have a full recovery without full strength schools," de Blasio said in the segment.

Almost 70% of the nation's students attend schools that are currently offering full-time in-person learning, according to the organization Burbio. De Blasio's announcement comes a week after New Jersey Governor Phil Murphy announced that there would be no remote option for that state's public school students come September.

But questions remain about how New York City will be able to accommodate 100% of its public school students in person. Some administrators worry there won't be enough space to fit all students in classrooms under current social distancing requirements. At a city council hearing last week, officials testified that all but 10% of the city's public schools could fit their students into classrooms 3 or more feet apart.

At a press conference Monday, the mayor said that he believes schools could make 3-feet social distancing work, but that he expects the Centers for Disease Control and Prevention will relax the requirements more by August.

Meanwhile, many New York City parents have expressed reluctance around in-person schooling. Data from the U.S. Education Department shows students of color are less likely than white students to be learning in person, as of March. Communities of color in the U.S. have been disproportionately impacted by the pandemic. In New York, Asian and Black families in particular have been more likely to keep their children home, according to demographic data released by the city. Parents there have cited virus safety concerns, a lack of trust in the school system and fear of discrimination in or on the way to school as reasons for keeping their children home.

Some parents have said they won't feel comfortable until their children are vaccinated, while others have said they prefer remote learning, because it works better for their children academically or socially.

Michael Mulgrew, president of the United Federation of Teachers, the city's largest teachers union, wrote in the New York Daily News last week that the city must maintain a remote learning option for a limited number of families next school year. On Monday, Mulgrew said, "We still have concerns about the safety of a small number of students with extreme medical challenges. For that small group of students, a remote option may still be necessary."

But some education leaders have argued that offering a remote option would keep more students out of classrooms.

De Blasio said parents will be welcomed back to schools starting in June to ask questions and get answers from educators, as well as to see how schools are keeping students and staff safe.

And remote learning isn't completely going away in New York City. Earlier this month, officials said public school students will learn remotely on Election Day, instead of having the usual day off from school, and class will no longer be suspended on "snow days."

The first day of school in New York City is Sept. 13.

Nicole Cohen contributed to this report.

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

Good morning and welcome. There has been unprecedented interest in recent years about whether marijuana or its constituent compounds should be used as medicine. Since 1996, voters in seven states have approved the medical use of marijuana.

Representatives from academies and research organizations around the world sent messages of condolence and support to members, officials and staff of the U.S. National Academies in the wake of terrorist attacks on the World Trade Center and the Pentagon. The following are excerpts from some of these messages.

Good morning. I am Richard Bonnie, chair of the Committee on Developing a Strategy to Reduce and Prevent Underage Drinking.