Donald Hall is now 87 and no longer writing poetry, a pursuit he calls "a young man's game" which takes "too much testosterone." But Hall, former Poet Laureate of both New Hampshire and the United States, long ago cemented his place in literary history. In this episode of the 10-Minute Writer's Workshop, Virginia and Sara traveled to Hall's home in Wilmot, NH, to speak to him - getting lost along the way, and, ultimately, finding themselves right at home. Learn more about your ad choices. Visit podcastchoices.com/adchoices

Anyone who's ever been an awkward adolescent knows that for decades now, dog-eared copies of Judy Blume's books have been passed around school playgrounds like secrets, or read under the covers after lights out. Her best known books - Are You There God? It's Me, Margaret, Deenie, Blubber, and Forever - offered young readers plain language and shame -free stories about periods, bullying, sexual urges and, even 'going all the way'. Judy Blume finally tells her own story with In the Unlikely Event. It’s set in 1952, when three planes crashed into her hometown of Elizabeth, New Jersey. We sat down with her in the greenroom at the Music Hall in Portsmouth before a Writers on a New England Stage live event. Learn more about your ad choices. Visit podcastchoices.com/adchoices

Essayist, novelist, columnist, sportswriter and former ethicist for the New York Times Magazine, Chuck Klosterman has got a wildly original voice. That makes sense for a guy who's written about glam metal bands in North Dakota, or whether you should hire a detective to trail your spouse. He's author of several best-sellers including Sex, Drugs & Cocoa Puffs and most recently But What If We're Wrong?: Thinking About the Present As If It Were the Past. Learn more about your ad choices. Visit podcastchoices.com/adchoices

Kelly Link is one of a handful of writers to manage to be wondrous, fantastical and ominous at the same time. As Kirkus says, her work is “like Kafka hosting Saturday Night Live, mixing humor with existential dread.” Her most recent collection, Get in Trouble, was a finalist for the Pulitzer Prize in fiction. She and her husband manage Small Beer Press. Photo © 2014 Sharona Jacobs Photography Learn more about your ad choices. Visit podcastchoices.com/adchoices

Andre Dubus III's memoir Townie told the story of his violent childhood on the wrong side of the tracks. Writing was his way out, and he's made more than good, with multiple NYT bestsellers, an Oprah’s Book Club pick, and an Oscar-nominated film adaptation (for his novel The House of Sand and Fog). And he gets out there, as a public speaker and writing instructor for graduate programs, seminars and retreats. We caught up with him at New Hampshire Writers’ Project's annual Writers’ Day. Photo of Virginia & Andre by Karen Kenney Learn more about your ad choices. Visit podcastchoices.com/adchoices

The novelist, short story writer and essayist Cynthia Ozick's best known piece of writing is called The Shawl, a brutal, phantasmal story of a woman and two children marching to a Nazi concentration camp. The Holocaust and Jewish identity are recurring topics in Ozick's fiction and criticism. Growing up in the Bronx, she was called Christ-killer, and humiliated for not singing Christmas carols at school. Now 88, her 7th volume of criticism, Critics, Monsters, Fanatics, And Other Literary Essays, was published recently, in July 2016. Ozick's last public reading was 6 years ago, but, happily, we got her on the phone from her home in Westchester County, New York. Photo: Ric Kallaher Music: Podington Bear Learn more about your ad choices. Visit podcastchoices.com/adchoices

Legal decisions are rarely read for pleasure. And though read and re-read and excerpted and quoted, they are not always quotable. Clocking in at an average of just under 5000 words, they can sound jargony, pompous and bone-dry in the wrong hands. Today's 10-Minute Writers Workshop asks an Associate Justice of the Supreme Court of the United States about what goes into writing an opinion. Justice Stephen Breyer was appointed to the Supreme Court in 1994 and is an exuberant advocate for participatory democracy, animated explainer of the reasoning behind decisions and author of several books. I spoke with Justice Breyer in the green room at The Music Hall in Portsmouth, New Hampshire, just before talking with him about his most recent, The Court and the World - American Law and the New Global Realities for Writers On A New England Stage. Learn more about your ad choices. Visit podcastchoices.com/adchoices

In this episode of the 10-Minute Writer’s Workshop, singer-songwriter, musician and novelist Josh Ritter – who might say writer first, musician second. It was a song that spun into his 2011 novel Bright's Passage. Josh Ritter’s songs draw deeply from the narrative traditions of American and Scottish folk music he studied after dropping out of the neuroscience program at Oberlin. They're little stories of character and place...wild prairies, snake oil salesman, teenage lust, and adults running out of road. Josh describes his most recent album Sermon on the Rocks as “messianic oracular honky-tonk.” We caught up with him at the Capitol Center for the Arts in Concord, New Hampshire, the day it was announced that Bob Dylan would be rewarded the Nobel Prize. So we focused on songwriting... let’s call this the 10-Minute Songwriter’s Workshop. Music: Josh Ritter, "Henrietta, Indiana" (used with permission) Learn more about your ad choices. Visit podcastchoices.com/adchoices

It’s our 30th episode, this time with the phenomenally successful Jodi Picoult. Small Great Things is her 24th novel - and the ninth straight to debut at number one on the New York Times bestseller list. If Picoult has a "thing" it's writing about thorny ethical issues from the perspective of multiple characters...and a twisty ending! She's written in the voice of suicidal teens, rape victims, a school shooter…but until now, never as a black character and never directly confronting race, privilege and inequity - which most people avoid talking about. We caught up with her in the green room at the Music Hall in Portsmouth, New Hampshire before Writers on a New England Stage. Music: “Many Hands” by Poddington Bear Photo: David J. Murray, cleareyephoto.com We are proud to be sponsored by Blue Apron. To receive a free week of meals, visit http://blueapron.com/10minute Learn more about your ad choices. Visit podcastchoices.com/adchoices

A National Book Award winner, Pulitzer-Prize nominee, Guggenheim fellow, and winner of a MacArthur "genius" grant, Colson Whitehead's new book, The Underground Railroad, was one of the most anticipated works of fiction this year. Virginia caught up with him backstage at the Capitol Center for the Arts in Concord, New Hampshire before a reading with novelist Ben Winters hosted of Gibson’s Bookstore. Learn more about your ad choices. Visit podcastchoices.com/adchoices

Tom Gauld -- a cartoonist, illustrator of comics and covers for the New Yorker and The Believer. His weekly cartoon about the arts for The Guardian newspaper is a wry, often deadpan favorite among writers. He is extremely prolific, author of more than a dozen books of comics, including You're Just Jealous of My Jetpack and most recently Mooncop. The lunar cop is perfectly Gauldian character - doesn't say much, spends a lot of time walking the barren landscape, is pretty lonesome and quaint. Virginia met with Tom before his talk at Harvard Book Store in Cambridge, Massachusetts, just an hour's drive from our studio. The challenge was finding a quiet spot to record in Harvard square...at rush hour. Music: "Feeding Pigeons" - Poddington Bear Ad Music: "Joy in the Restaurant" - David Szesztay Learn more about your ad choices. Visit podcastchoices.com/adchoices

Irish author Emma Donoghue may be best known for Room, her novel written in the voice of a young boy confined with his mother in a single room. It was nominated for a Man Booker prize and made into an Oscar-winning film, for which she wrote the screenplay. Her most recent novel is The Wonder, about a "fasting girl" in 1850s Ireland. Music: Podington Bear - "Evenhanded" Ad Music: David Szesztay - "Joy in the Restaurant" Learn more about your ad choices. Visit podcastchoices.com/adchoices

'In Maine, when we say something is "wicked good" – we really mean it.' That's how LL Bean describes their Wicked Good Slippers, and how we describe Jeff Ryan, who for decades wrote Bean's catalog copy. We spoke to him about finding the story in everyday objects and the tricks of the trade when it comes to copy writing. Jeff Ryan is also the author of Appalachian Odyssey, a memoir of hiking the Appalachian Trail, bit by bit, over 28 years. Episode music: "Auld Lang Syne" by Podington Bear Credit music: "Joy in the Restaurant" by David Szesztay Learn more about your ad choices. Visit podcastchoices.com/adchoices

Jonathan Lethem is the best-selling author of Gun, with Occasional Music, Fortress of Solitude, and other novels, including the Naitonal Book Critics' Circle award-winning Motherless Brooklyn. He's known for reanimating and remixing genres - hard-boiled crime novels, post-apocalyptic science fiction, superhero comics and even technicolor westerns. His most recent novel is called A Gambler's Anatomy. It's about a high-stakes competitive backgammon player and con artist - a character who, like Lethem, was raised in the bohemian Brooklyn of the 1970s. Episode music: "Crate Diggin" by Ari de Niro Ad music: "Joy in the Restaurant" by David Szesztay Learn more about your ad choices. Visit podcastchoices.com/adchoices

Caitlin Moran is the best-selling author of How to Be a Woman, Moranthology, and columnist for the Times of London. She and her sister developed and write 'raised by wolves" --a British television series loosely based on their experience in a family of ten growing up in a tiny subsidized flat in the English midlands. She is also a mother of two, an unapologetic feminist, and really, really funny. Caitlin Moran is now out with Moranifesto, her second collection of columns and essays. The Harvard Book Store sponsored her event at the Brattle Theatre in Cambridge, Massachusetts. We caught up with her before she went on stage. She was warm and playful and not at all anxious about going on stage - or writing. Episode Music: "American Weirdos" by Hurry Up Ad Music: "Joy in the Restaurant" by David Szesztay Learn more about your ad choices. Visit podcastchoices.com/adchoices

Ottessa Moshfegh says she writes to explore why people do weird things. The daughter of a Croatian mother and Iranian father, she was a serious piano student who knew she didn't want to be a pianist when she felt the call to write - and not just write, but be bold. We spoke to her before her reading at Harvard Book Store in Cambridge, Mass. Episode Music: Kevin MacLeod, "Trio for Piano, Violin and Viola" Credit Music: Uncanny Valleys, "Curious or Disconcerting" Learn more about your ad choices. Visit podcastchoices.com/adchoices

Victoria Schwab... VE Schwab... V... the author's name depends on her audience, which, like the dark worlds she builds, is a well-thought out design. Ms. Schwab, we'll say, burst onto the scene in 2011 with The Near Witch. A dozen books later, adult, young adult and middle grade readers have followed her into supernatural worlds, sinister scenarios and richly formed fantasy worlds. A self-described pagan, Victoria managed to survive a happy, independent childhood, with a morbid streak. "I definitely hung my teddy bears from the stair railing, execution-style,” she told Book Page. That slightly twisted imagination has served her well, and she continues to build speculative worlds and cutthroat characters that probe the human capacity to be monstrous to each other - and to the natural world. Her newest novel, A Conjuring of Light, is part three and the culmination of the Shades of Magic fantasy series. We reached her at her home in Nashville via Skype. Learn more about your ad choices. Visit podcastchoices.com/adchoices

Lindy West, columnist for The Guardian, and author of How to be a Person and Shrill: Notes from a Loud Woman. Lindy writes about feminism, social justice, body image, pop culture and, lately, politics. She's a funny and original thinker, and brave. She's been a contributor on several memorable episodes of This American Life - one on "coming out" as fat, another about confronting an internet troll, one of hundreds who'd harassed her online. She's got a bunch of balls in the air - TV and movie projects, an idea for a podcast - but we honed in on the demands of being a columnist. Episode music by Ari de Niro Ad music by Uncanny Valleys Learn more about your ad choices. Visit podcastchoices.com/adchoices

Ben Winters is a little incomprehensible. Not his output, which is consistently great, but his wild imagination and range. He's a teacher, a playwright, an Edgar and Phillip K. Dick Award-winning novelist, he's written children's books, an existential detective series and landed a New York Times bestseller with the Jane Austen meets the kraken mash-up, Sense and Sensibility and Sea Monsters. His most recent novel, Underground Airlines, imagines an alternative American history - and present. The civil war never happened, and slavery is legal in four southern states under protection of the Constitution. Underground Airlines is an ingenious work of speculative fiction that at times seems chillingly plausible. It landed on several top ten lists in 2016...from Fresh Air contributor Maureen Corrigan to the BBC. We caught up with him at the Capital Center for the Arts in Concord, NH before interviewing him and The Underground Railroad author, Colson Whitehead. Episode music by Podington Bear Ad music by Uncanny Valleys Learn more about your ad choices. Visit podcastchoices.com/adchoices

Tana French is the Edgar Award-winning author of the Dublin Murder Squad series. The newest, called The Trespasser, is the sixth in the best-selling, habit-forming series. "It’s taken for granted that anybody who’s read one [Tana French novel] will very shortly have read them all,” wrote Laura Miller in the New Yorker. French wrote her debut novel, In The Woods, in the long stretches between parts as a stage actress in Dublin. That theatrical training - understanding people from the inside out - may well be the edge that sets her books apart from other mysteries and police procedurals. The search for the killer becomes entangled with a search for the self, or as Miller put it, "in most crime fiction, the central mystery is who is the murderer? In French’s novels, it’s who is the detective?” Music by Podington Bear Ad music by Uncanny Valleys Learn more about your ad choices. Visit podcastchoices.com/adchoices

John Scalzi, the Hugo Award-winning author of science fiction both serious and less-so and an internet star from way, way back. He is former president of the Science Fiction and Fantasy Writers of America, perhaps best known for his Old Man's War series, his blog “Whatever,” and his novel Redshirts, which is currently being developed for television. He joined us in the NHPR studios while on tour for The Collapsing Empire, the first novel of a new space-opera sequence set in an all-new universe. Learn more about your ad choices. Visit podcastchoices.com/adchoices

Anita Shreve had a small, but devoted following as a literary author when her second novel, The Pilot's Wife was named an Oprah Book Club pick. The recognition propelled her into a New York Times bestselling novelist. Two days after her 18th novel, The Stars Are Fire, was released, she canceled her extensive book tour, later writing on her Facebook page that she would be undergoing chemotherapy. This most recent novel uses wildfires that raged through coastal Maine in 1947 as the backdrop for the story of one woman’s extraordinary resilience. Music by Tyler Gibbons Ad Music by Uncanny Valleys Find Anita Shreve on Facebook at https://www.facebook.com/anitashreve/ Learn more about your ad choices. Visit podcastchoices.com/adchoices

Krista Tippett is probably best known as the host & creator of the public radio program On Being. But she's also the author of three books that pull from her decades of interviews with a broad variety of thinkers and seekers, exploring the intersections between spirituality, science, and living. The most recent is called Becoming Wise: An Inquiry into the Mystery & Art of Living. We spoke to her backstage at The Music Hall in Portsmouth, NH before a Writers on a New England Stage event. Music: Podington Bear - "Daydreamer" Learn more about your ad choices. Visit podcastchoices.com/adchoices

Ian Rankin is best known for two characters: Inspector John Rebus, the protagonist of now 21 mystery novels, and the city of Edinburgh, whose dark corners come alive in Rankin’s hands. Rebus made his debut in the 1987 crime novel Knots & Crosses. In Rankin’s newest novel - Rather Be the Devil - a retired Rebus returns to a case that has haunted him for decades. Episode music by Podington Bear Ad music by Uncanny Valleys Learn more about your ad choices. Visit podcastchoices.com/adchoices

Author, outspoken vegetarian, social media abstainer and writing teacher Jonathan Safran Foer is author of three novels: Everything Is Illuminated, Extremely Loud and Incredibly Close and, most recently, Here I Am, which follows four generations of a Jewish family grappling with identity, connection and disaster. His nonfiction book about factory farming, Eating Animals, was also a New York Times best-seller. Episode music by Broke For Free Ad music by Uncanny Valleys Learn more about your ad choices. Visit podcastchoices.com/adchoices

Designated Doctor 101 Workshop

Designated Doctor Musculoskeletal Examination Workshop

Health Care Provider Boot Camp Day 7: Certified Workers’ Compensation Health Care Networks

Designated Doctor 101 Workshop

Thoughtworks, the global technology consultancy that integrates strategy, design and engineering to drive digital innovation, has started a strategic partnership with UK-based cybersecurity startup Advanced Cyber Defence Systems (ACDS) by providing Thoughtworks DAMO AI-powered application managed services.

Linnworks, provider of inventory, order and warehouse management solutions for ecommerce retailers, has announced its new integration with Loop, a post-purchase platform designed to optimise returns, exchanges and reverse logistics.

Horsepower rates the engine performance of cars and even lawn mowers. Learn what horsepower means, how it is measured and how it works in high-performance cars.

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.

This review summarizes the methodological aspects of laboratory X-ray powder micro-diffraction and demonstrates the assets of the method in the research of painted artworks for evaluation of their provenance or diagnosing their degradation.

Painted artworks represent a significant group of cultural heritage artifacts, which are primarily admired because of their aesthetic quality. Nevertheless, the value of each particular painting depends also on what is known about it. Material investigation of paintings is one of the most reliable sources of information. Materials in painted artworks (i.e. panel, easel and miniature paintings, wall paintings, polychromed sculptures etc.) represent an extensive set of inorganic and organic phases, which are often present in complicated mixtures and exhibit characteristics reflecting their geological genesis (mineral pigments), manufacturing technology (artificial pigments), diverse biological nature (binders or dyes) or secondary changes (degradation or intentional later interventions). The analyses of paintings are often made challenging by the heterogeneous nature and minute size of micro-samples or, in some cases, even by the impossibility of sampling due to the preciousness, fragility or small dimensions of the artwork. This review demonstrates the successful implementation of laboratory X-ray powder micro-diffraction for material investigation of paintings, illustrating its efficiency for mineralogical analysis of (i) earth-based materials indicating the provenance of paintings, (ii) copper-based pigments pointing to their origin, and (iii) products of both salt corrosion and saponification enabling one to reveal the deterioration and probable original appearance of artworks.

The well-known copper car­box­yl­ate dimer, with four car­box­yl­ate ligands ex­ten­ding outwards towards the corners of a square, has been employed to generate a series of crystalline com­pounds. In particular, this work centres on the use of the 4-hy­droxy­benzoate anion (Hhba−) and its deprotonated phe­nol­ate form 4-oxidobenzoate (hba2−) to obtain complexes with the general formula [Cu2(Hhba)4–x(hba)xL2–y]x−, where L is an axial coligand (including solvent mol­ecules), x = 0, 1 or 2, and y = 0 or 1. In some cases, short hy­dro­gen bonds result in complexes which may be represented as [Cu2(Hhba)2(H0.5hba)2L2]−. The main focus of the investigation is on the formation of a variety of extended networks through hy­dro­gen bonding and, in some crystals, coordinate bonds when bridging coligands (L) are employed. Crystals of [Cu2(Hhba)4(di­ox­ane)2]·4(di­ox­ane) consist of the expected Cu dimer with the Hhba− anions forming hy­dro­gen bonds to 1,4-di­ox­ane mol­ecules which block network formation. In the case of crystals of com­position [Et4N][Cu2(Hhba)2(H0.5hba)2(CH3OH)(H2O)]·2(di­ox­ane), Li[Cu2(Hhba)2(H0.5hba)2(H2O)2]·3(di­ox­ane)·4H2O and [Cu2(Hhba)2(H0.5hba)2(H0.5DABCO)2]·3CH3OH (DABCO is 1,4-di­aza­bicyclo­[2.2.2]octa­ne), square-grid hy­dro­gen-bonded networks are generated in which the complex serves as one type of 4-con­necting node, whilst a second 4-con­necting node is a hy­dro­gen-bonding motif assembled from four phenol/phenolate groups. Another two-dimensional (2D) network based upon a related square-grid structure is formed in the case of [Et4N]2[Cu2(Hhba)2(hba)2(di­ox­ane)2][Cu2(Hhba)4(di­ox­ane)(H2O)]·CH3OH. In [Cu2(Hhba)4(H2O)2]·2(Et4NNO3), a square-grid structure is again apparent, but, in this case, a pair of nitrate anions, along with four phenolic groups and a pair of water mol­ecules, combine to form a second type of 4-con­necting node. When 1,8-bis­(di­methyl­amino)­naphthalene (bdn, `proton sponge') is used as a base, another square-grid network is generated, i.e. [Hbdn]2[Cu2(Hhba)2(hba)2(H2O)2]·3(di­ox­ane)·H2O, but with only the copper dimer complex serving as a 4-con­necting node. Complex three-dimensional networks are formed in [Cu2(Hhba)4(O-bipy)]·H2O and [Cu2(Hhba)4(O-bipy)2]·2(di­ox­ane), where the potentially bridging 4,4'-bi­pyridine N,N'-dioxide (O-bipy) ligand is employed. Rare cases of mixed car­box­yl­ate copper dimer complexes were obtained in the cases of [Cu2(Hhba)3(OAc)(di­ox­ane)]·3.5(di­ox­ane) and [Cu2(Hhba)2(OAc)2(DABCO)2]·10(di­ox­ane), with each structure possessing a 2D network structure. The final com­pound re­por­ted is a simple hy­dro­gen-bonded chain of com­position (H0.5DABCO)(H1.5hba), formed from the reaction of H2hba and DABCO.

The use of artificial intelligence to process diffraction images is challenged by the need to assemble large and precisely designed training data sets. To address this, a codebase called Resonet was developed for synthesizing diffraction data and training residual neural networks on these data. Here, two per-pattern capabilities of Resonet are demonstrated: (i) interpretation of crystal resolution and (ii) identification of overlapping lattices. Resonet was tested across a compilation of diffraction images from synchrotron experiments and X-ray free-electron laser experiments. Crucially, these models readily execute on graphics processing units and can thus significantly outperform conventional algorithms. While Resonet is currently utilized to provide real-time feedback for macromolecular crystallography users at the Stanford Synchrotron Radiation Lightsource, its simple Python-based interface makes it easy to embed in other processing frameworks. This work highlights the utility of physics-based simulation for training deep neural networks and lays the groundwork for the development of additional models to enhance diffraction collection and analysis.

In the title mol­ecule, C7H7N3O, the pyrimidine ring is essentially planar, with the propynyl group rotated out of this plane by 15.31 (4)°. In the crystal, a tri-periodic network is formed by N—H⋯O, N—H⋯N and C—H⋯O hydrogen-bonding and slipped π–π stacking inter­actions, leading to narrow channels extending parallel to the c axis. Hirshfeld surface analysis of the crystal structure reveals that the most important contributions for the crystal packing are from H⋯H (36.2%), H⋯C/C⋯H (20.9%), H⋯O/O⋯H (17.8%) and H⋯N/N⋯H (12.2%) inter­actions, showing that hydrogen-bonding and van der Waals inter­actions are the dominant inter­actions in the crystal packing. Evaluation of the electrostatic, dispersion and total energy frameworks indicates that the stabilization is dominated by the electrostatic energy contributions. The mol­ecular structure optimized by density functional theory (DFT) calculations at the B3LYP/6–311 G(d,p) level is compared with the experimentally determined structure in the solid state. The HOMO–LUMO behaviour was also elucidated to determine the energy gap.

The title compound, C16H11N2OF, is a member of the azo dye family. The dihedral angle subtended by the benzene ring and the naphthalene ring system measures 18.75 (7)°, indicating that the compound is not perfectly planar. An intra­molecular N—H⋯O hydrogen bond occurs between the imino and carbonyl groups. In the crystal, the mol­ecules are linked into inversion dimers by C—H⋯O inter­actions. Aromatic π–π stacking between the naphthalene ring systems lead to the formation of chains along [001]. A Hirshfeld surface analysis was undertaken to investigate and qu­antify the inter­molecular inter­actions. In addition, energy frameworks were used to examine the cooperative effect of these inter­molecular inter­actions across the crystal, showing dispersion energy to be the most influential factor in the crystal organization of the compound.

The title compound, C16H17N3O3, is racemic as it crystallizes in a centrosymmetric space group (Poverline{1}), although the trans disposition of substituents about the central C—C bond is established. The five- and six-membered rings are oriented at a dihedral angle of 75.88 (8)°. In the crystal, N—H⋯N hydrogen bonds form chains of mol­ecules extending along the c-axis direction that are connected by inversion-related pairs of O—H⋯N into ribbons. The ribbons are linked by C—H⋯π(ring) inter­actions, forming layers parallel to the ab plane. A Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are from H⋯H (45.9%), H⋯N/N⋯H (23.3%), H⋯C/C⋯H (16.2%) and H⋯O/O⋯H (12.3%) inter­actions. Hydrogen bonding and van der Waals inter­actions are the dominant inter­actions in the crystal packing. The volume of the crystal voids and the percentage of free space were calculated to be 100.94 Å3 and 13.20%, showing that there is no large cavity in the crystal packing. Evaluation of the electrostatic, dispersion and total energy frameworks indicates that the stabilization is dominated by the electrostatic energy contributions in the title compound. Moreover, the DFT-optimized structure at the B3LYP/6–311 G(d,p) level is compared with the experimentally determined mol­ecular structure in the solid state. The HOMO–LUMO behaviour was elucidated to determine the energy gap.

The in­do­line portion of the title mol­ecule, C16H13NO2, is planar. In the crystal, a layer structure is generated by C—H⋯O hydrogen bonds and C—H⋯π(ring), π-stacking and C=O⋯π(ring) inter­actions. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (43.0%), H⋯C/C⋯H (25.0%) and H⋯O/O⋯H (22.8%) inter­actions. Hydrogen bonding and van der Waals inter­actions are the dominant inter­actions in the crystal packing. The volume of the crystal voids and the percentage of free space were calculated to be 120.52 Å3 and 9.64%, respectively, showing that there is no large cavity in the crystal packing. Evaluation of the electrostatic, dispersion and total energy frameworks indicate that the stabilization is dominated by the dispersion energy contributions in the title compound. Moreover, the DFT-optimized structure at the B3LYP/6-311G(d,p) level is compared with the experimentally determined mol­ecular structure in the solid state.

In the title mol­ecule, C21H23N3O3, the imidazolidine ring slightly deviates from planarity and the morpholine ring exhibits the chair conformation. In the crystal, N—H⋯O and C—H⋯O hydrogen bonds form helical chains of mol­ecules extending parallel to the c axis that are connected by C—H⋯π(ring) inter­actions. A Hirshfeld surface analysis reveals that the most important contributions for the crystal packing are from H⋯H (55.2%), H⋯C/C⋯H (22.6%) and H⋯O/O⋯H (20.5%) inter­actions. The volume of the crystal voids and the percentage of free space were calculated to be 236.78 Å3 and 12.71%, respectively. Evaluation of the electrostatic, dispersion and total energy frameworks indicates that the stabilization is dominated by the nearly equal electrostatic and dispersion energy contributions. The DFT-optimized mol­ecular structure at the B3LYP/6-311 G(d,p) level is compared with the experimentally determined mol­ecular structure in the solid state. Moreover, the HOMO–LUMO behaviour was elucidated to determine the energy gap.

The benzimidazole entity of the title mol­ecule, C17H21N5O, is almost planar (r.m.s. deviation = 0.0262 Å). In the crystal, bifurcated C—H⋯O hydrogen bonds link individual mol­ecules into layers extending parallel to the ac plane. Two weak C—H⋯π(ring) inter­actions may also be effective in the stabilization of the crystal structure. Hirshfeld surface analysis of the crystal structure reveals that the most important contributions for the crystal packing are from H⋯H (57.9%), H⋯C/C⋯H (18.1%) and H⋯O/O⋯H (14.9%) inter­actions. Hydrogen bonding and van der Waals inter­actions are the most dominant forces in the crystal packing. Evaluation of the electrostatic, dispersion and total energy frameworks indicate that the stabilization of the title compound is dominated via dispersion energy contributions. The mol­ecular structure optimized by density functional theory (DFT) at the B3LYP/6–311 G(d,p) level is compared with the experimentally determined mol­ecular structure in the solid state.

The pyrazolo­pyrimidine moiety in the title mol­ecule, C13H12N4S, is planar with the methyl­sulfanyl substituent lying essentially in the same plane. The benzyl group is rotated well out of this plane by 73.64 (6)°, giving the mol­ecule an approximate L shape. In the crystal, C—H⋯π(ring) inter­actions and C—H⋯S hydrogen bonds form tubes extending along the a axis. Furthermore, there are π–π inter­actions between parallel phenyl rings with centroid-to-centroid distances of 3.8418 (12) Å. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H⋯H (47.0%), H⋯N/N⋯H (17.6%) and H⋯C/C⋯H (17.0%) inter­actions. The volume of the crystal voids and the percentage of free space were calculated to be 76.45 Å3 and 6.39%, showing that there is no large cavity in the crystal packing. Evaluation of the electrostatic, dispersion and total energy frameworks indicate that the cohesion of the crystal structure is dominated by the dispersion energy contributions.

The benzimidazole moiety in the title mol­ecule, C19H25N5O, is almost planar and oriented nearly perpendicular to the triazole ring. In the crystal, C—H⋯O hydrogen bonds link the mol­ecules into a network structure. There are no π–π inter­actions present but two weak C—H⋯π(ring) inter­actions are observed. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (62.0%), H⋯C/C⋯H (16.1%), H⋯N/N⋯H (13.7%) and H⋯O/O⋯H (7.5%) inter­actions. Evaluation of the electrostatic, dispersion and total energy frameworks indicate that the stabilization is dominated via the dispersion energy contributions in the title compound.

The title mol­ecule, C25H23BrN2O2, adopts a cup shaped conformation with the distinctly ruffled imidazolidine ring as the base. In the crystal, weak C—H⋯O hydrogen bonds and C—H⋯π(ring) inter­actions form helical chains of mol­ecules extending along the b-axis direction that are linked by additional weak C—H⋯π(ring) inter­actions across inversion centres. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (51.0%), C⋯H/H⋯C (21.3%), Br⋯H/H⋯Br (12.8%) and O⋯H/H⋯O (12.4%) inter­actions. The volume of the crystal voids and the percentage of free space were calculated to be 251.24 Å3 and 11.71%, respectively, showing that there is no large cavity in the crystal packing. Evaluation of the electrostatic, dispersion and total energy frameworks indicate that the stabilization is dominated by the dispersion energy.

Recent developments in synchrotron radiation facilities have increased the amount of data generated during acquisitions considerably, requiring fast and efficient data processing techniques. Here, the application of dense neural networks (DNNs) to data treatment of X-ray diffraction computed tomography (XRD-CT) experiments is presented. Processing involves mapping the phases in a tomographic slice by predicting the phase fraction in each individual pixel. DNNs were trained on sets of calculated XRD patterns generated using a Python algorithm developed in-house. An initial Rietveld refinement of the tomographic slice sum pattern provides additional information (peak widths and integrated intensities for each phase) to improve the generation of simulated patterns and make them closer to real data. A grid search was used to optimize the network architecture and demonstrated that a single fully connected dense layer was sufficient to accurately determine phase proportions. This DNN was used on the XRD-CT acquisition of a mock-up and a historical sample of highly heterogeneous multi-layered decoration of a late medieval statue, called `applied brocade'. The phase maps predicted by the DNN were in good agreement with other methods, such as non-negative matrix factorization and serial Rietveld refinements performed with TOPAS, and outperformed them in terms of speed and efficiency. The method was evaluated by regenerating experimental patterns from predictions and using the R-weighted profile as the agreement factor. This assessment allowed us to confirm the accuracy of the results.

Metal–organic frameworks (MOFs) have garnered significant attention in recent years owing to their exceptional properties. Understanding the intricate relationship between the structure of a material and its properties is crucial for guiding the synthesis and application of these materials. (Scanning) Transmission electron microscopy (S)TEM imaging stands out as a powerful tool for structural characterization at the nanoscale, capable of detailing both periodic and aperiodic local structures. However, the high electron-beam sensitivity of MOFs presents substantial challenges in their structural characterization using (S)TEM. This paper summarizes the latest advancements in low-dose high-resolution (S)TEM imaging technology and its application in MOF material characterization. It covers aspects such as framework structure, defects, and surface and interface analysis, along with the distribution of guest molecules within MOFs. This review also discusses emerging technologies like electron ptychography and outlines several prospective research directions in this field.