It is well known that Hirshfeld surfaces provide an easy and straightforward way of analysing inter­molecular inter­actions in the crystal environment. The use of atomic Hirshfeld surfaces has also demonstrated that such surfaces carry information related to chemical bonds which allow a deeper evaluation of the structures. Here we briefly summarize the approach of atomic Hirshfeld surfaces while further evaluating the kind of information that can be retrieved from them. We show that the analysis of the metal-centre Hirshfeld surfaces from structures refined via Hirshfeld Atom Refinement (HAR) allow accurate evaluation of contacts of type M⋯H, and that such contacts can be related to the overall shape of the surfaces. The com­pounds analysed were tetra­aqua­bis­(3-carb­oxy­propionato)metal(II), [M(C4H3O4)2(H2O)4], for metal(II)/M = manganese/Mn, cobalt/Co, nickel/Ni and zinc/Zn. We also evaluate the sensitivity of the surfaces by an investigation of seemingly flat surfaces through analysis of the curvature functions in the direction of C—C bonds. The obtained values not only demonstrate variations in curvature but also show a correlation with the hybridization of the C atoms involved in the bond.

The detection of specific biological macromolecules in cryogenic electron tomography data is frequently approached by applying cross-correlation-based 3D template matching. To reduce computational cost and noise, high binning is used to aggregate voxels before template matching. This remains a prevalent practice in both practical applications and methods development. Here, the relation between template size, shape and angular sampling is systematically evaluated to identify ribosomes in a ground-truth annotated data set. It is shown that at the commonly used binning, a detailed subtomogram average, a sphere and a heart emoji result in near-identical performance. These findings indicate that with current template-matching practices macromolecules can only be detected with high precision if their shape and size are sufficiently different from the background. Using theoretical considerations, the experimental results are rationalized and it is discussed why primarily low-frequency information remains at high binning and that template matching fails to be accurate because similarly shaped and sized macromolecules have similar low-frequency spectra. These challenges are discussed and potential enhancements for future template-matching methodologies are proposed.

This work focuses on molecules that are encoded by the major histocompatibility complex (MHC) and that bind self-, foreign- or tumor-derived peptides and display these at the cell surface for recognition by receptors on T lymphocytes (T cell receptors, TCR) and natural killer (NK) cells. The past few decades have accumulated a vast knowledge base of the structures of MHC molecules and the complexes of MHC/TCR with specificity for many different peptides. In recent years, the structures of MHC-I molecules complexed with chaperones that assist in peptide loading have been revealed by X-ray crystallography and cryogenic electron microscopy. These structures have been further studied using mutagenesis, molecular dynamics and NMR approaches. This review summarizes the current structures and dynamic principles that govern peptide exchange as these relate to the process of antigen presentation.

Jason Statham's character H in the film "Wrath of Man"; Credit: Metro Goldwyn Mayer Pictures

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

Lisa Emery, left, and Lois Smith are in the world premiere of Jordan Harrison’s “Marjorie Prime” at the Center Theatre Group/Mark Taper Forum. ; Credit: Craig Schwartz

Lois Smith has had a long and varied acting career. She made her Broadway debut in 1952 and three years later was cast opposite James Dean in “East of Eden.” She was in “Five Easy Pieces” with Jack Nicholson and — more recently — she had a role on HBO’s “True Blood.”

Now, the 83-year-old Smith is starring at the Mark Taper Forum in the world premiere of “Marjorie Prime” — a play by Jordan Harrison about aging, memory and artificial intelligence.

Smith spoke with The Frame's John Horn about the play and her role.

Interview Highlights

Smith on how "Marjorie Prime" addresses the notion of memory

"One character at some point says, 'I don't know what memory's made of. Is it sedimentary layers?' The play [is] not a meditation, but a riff, perhaps, on that subject. Jordan [Harrison, the playwright] said at some point, 'This play is the intersection of perhaps humanity and technology.' The play takes place a bit in the future. Not a long time — we'll all recognize ourselves very well — but that's one of its surprises."

Smith on the evolution of becoming a character

"It's been extremely interesting. I suppose in every play [the process] deepens and stretches out. This one, no doubt about it...it's elusive in a lot of ways and I think, 'Oh good, I'm getting there, I'm finding out.' And then I think, 'Oh, farther to go.'" 

Smith on how audience members of different ages react to the play's take on aging

"One friend saw it in regards to [her] mother, who's becoming forgetful. [That] mother saw her own very aged father. They laughed about what they each brought up, because they had just been sitting at the same performance of the same play."

Smith on her role, which isn't too physically taxing

"I'm not doing much walking around. I walk on, I walk off, I walk on — and that's about it. I sometimes say, 'It's almost as good as a bed part,' because I spend time in a recliner, which is pretty nice."

Chesapeake Bay Program — Press Release — October 31, 2024

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National Science Foundation-funded engineers have developed a mathematical framework that can turn any sheet of material into any prescribed shape, inspired by the paper craft kirigami (from the Japanese, kiri, meaning to cut and kami, meaning paper). Unlike its better-known cousin origami, which uses folds to shape paper, kirigami relies on a pattern of cuts in a flat paper sheet to change its flexibility and allow it to morph into 3D shapes. Artists have long used this artform to create everything from pop-up cards to castles and dragons. This research follows previous work by the researchers that characterized how origami-based patterns could be used as building blocks to create almost any three-dimensional curved shape. Next the researchers aim to explore how to combine cuts and folds to achieve any shape with a given set of properties, thus linking origami and kirigami.

Image credit: Harvard SEAS

Panelists in a discussion on ‘Mobility Megatrends 2050’, highlighted that in the next decade, with electrification, autonomous driving, smart and connected infrastructure, modal diversity, and mobility that is integrated, resilient, shared, and sustainable – powered by disruptive business models, will transform and shape up of the automotive industry. The industry is racing towards a new world, driven by sustainability and changing consumer behaviour, encompassing electric vehicles, autonomous cars, mobility fleet sharing, and always connected.

One of the nation’s largest surveys of crime victims is likely undercounting incidences of rape and sexual assault, making it difficult to ensure that adequate law enforcement resources and support services are available for victims, says a new report by the National Research Council.

The National Academy of Engineering announced today that the 2018 Charles Stark Draper Prize for Engineering will be awarded to Bjarne Stroustrup.

Many U.S. colleges and universities responded to the COVID-19 pandemic this spring by swiftly moving courses online, but they now face a range of longer-term quandaries, from weighing how to safely reopen campuses to navigating new financial challenges.

The National Academies of Sciences, Engineering, and Medicine released a final report today reviewing the second draft of a U.S. Department of Veterans Affairs (VA) monograph, A Randomized Trial of Differential Effectiveness of Service Dog Pairing Versus Emotional Support Dog Pairing to Improve Quality of Life for Veterans With PTSD, which assesses the potential therapeutic effects of programs with trained service dogs and emotional support dogs on veterans with post-traumatic stress disorder (PTSD).

The National Nuclear Security Administration needs to fundamentally rethink the strategy for its next generation of high-performance computing and cannot continue with ‘business as usual’ through shifting technical and geopolitical landscapes. Advanced computing capabilities help the NNSA ensure that the U.S. maintains a safe, secure, and reliable nuclear stockpile.

Learn about the types of threats that 'topped the charts' and the kinds of techniques that bad actors leveraged most commonly in the first half of this year

ESET researchers discovered a zero-day Telegram for Android exploit that allows sending malicious files disguised as videos

As the digital economy expands, so does the volume of data generated and stored within India. This presents an opportunity for the government to implement data localization policies to safeguard sensitive data, protect national security, and promote the growth of the domestic IT industry and related sectors.

With the increased focus on data security and privacy, BPO service providers will need to restructure their data compliance plan ahead of time. This is not only to ensure that the soon-to-be-updated rules are implemented in a timely manner but also to improve customer service efficiency and increase the firm's general reputation.

“Our privacy policy has long been transparent that Google uses publicly available information from the open web to train language models for services like Google Translate,” The Verge quoted Google spokesperson Christa Muldoon as saying. This publically available data includes data available on the internet, device type and settings, operating system, mobile network information including carrier name and phone number, and application version number.

The developing world is awash in substandard, degraded or falsified medications, which can either directly harm users or deprive them of needed treatment. And with internet sales of medications on the rise, people everywhere are increasingly at risk. So, a team of researchers has developed a simple, inexpensive paper-based device to screen suspicious medications.

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Hospitals and healthcare systems utilize data to streamline their operations. Through predictive analytics, they can forecast patient admissions, optimize staff scheduling, and manage inventory efficiently. These data-driven insights enhance resource allocation and ensure that healthcare facilities are prepared for fluctuations in demand.

While SkinnyPop popcorn’s brand equity continues to resonate with ready-to-eat (RTE) consumers, research has shown that spicy, bold flavors are undeveloped in the RTE category compared to total salty snacks but are leading growth.

The two ingredients companies beat out stiff competition at the SNAC International event.

Eurobake, a Lantmännen Unibake brand, has released a new artisan loaf.

Zack's Mighty—the first-ever tortilla chips made with Certified Regenerative corn that don't break in dips––is now available in Costco stores in the Southwest.

The newest addition to the snack nut line combines a touch of heat and tangy citrus flavor.

The appetizer now turned pizza gives guests sweet heat with a drizzle of Mike's Hot Honey, just in time for football season.

As a Preferred Salty Snack of the Kentucky Derby, the popped, never fried snack offers at-home Derby viewers the chance to win $20,000 plus a Derby-style garland of PopCorners.

Hardee's will offer its Made from Scratch Buttermilk Biscuits in the shape of a heart on all breakfast sandwiches Feb. 1–14.

As GMOs, gluten intolerance and ‘no artificial additives’ gain heavy traction in the food arena, snack manufacturers and commercial bakers continue to showcase new clean-label pursuits with more transparency. 

Improved weight accuracy, high-speed production, flexibility and easy sanitation are just some of dynamics bakers are looking for in depositors, dividers and rounders.

Puffed and extruded snacks are shedding their junk-food image with more nutritious ingredients and no-fry processing, plus on-trend flavors, textures and shapes to add more fun.

Joyfull Bakery, the artisan Parmesan Crisps company, has announced that its crisps will be available in all Sprouts Farmers Market stores nationwide.

The Folded-Edge Hand Dispenser is one of the latest additions to Shurtape’s ShurSEAL Packaging Solutions family and is available for all manual sealing applications, including L-Clip tape sealing.

DINO BARS are wrapped in edible paper, and all bars are non-GMO, USDA certified organic and free from nuts, gluten, soy, and dairy.

The low-carb producer has partnered with the Grammy-winning DJ on its new flavor.

Feel Good Foods, a gluten-free frozen comfort food brand, has announced availability of its Jalapeno Bites, now available at Costco stores in the Bay Area.

The 2020 election is over, but efforts to understand the impacts are just beginning.

US faces a shortage of 500k skilled plumbers, costing $33bn annually. Plumbing requires rigorous training, creative problem-solving, and meticulous execution. Valuing the critical role plumbers play can address the shortage and pave the way for a thriving water infrastructure.

The world is changing quickly, and transformative technologies are introducing new requirements for safety. 

Paperboard, corrugated and carton solutions have been a key area of focus for manufacturers due to their dependability and ease of use. This focus has resulted in key innovations regarding environmental responsibility and design investments.

Whereas requests for the designation are typically submitted by brand owners, Metsä Board is one of the few material suppliers to get their paperboard grades proactively pre-qualified.

Meanwhile, the fate of the estate tax could affect small businesses for years to come.

Whether it is appropriate to attach non-FR embroidery and emblems to flame resistant protective garments is always a difficult question to address.

In 1998, according to a Bureau of Labor Statistics report, 413 workers were struck and killed by vehicles. That was “the highest number in the 7-year period that the fatality census has been compiled.”₁ Without a standard in place, the numbers were steadily rising.

With market trends, SKU proliferation, and more, impacting filler technology, experts highlight how technological advancements work to address issues from sustainability to product safety.

With consumers’ wellness approach toward weight management, experts highlight how demand for nutritious drinks that support overall well-being is transforming the industry. 

Welch Foods Inc. announced the launch of Welch's Grape’ade, a new juice beverage made with crisp Niagara green grapes and no added sugar. 

Mr. William Draper is a Navajo commercial architect providing services to Native American Nations