Tryptophan is the most prominent amino acid found in proteins, with multiple functional roles. Its side chain is made up of the hydrophobic indole moiety, with two groups that act as donors in hydrogen bonds: the Nɛ—H group, which is a potent donor in canonical hydrogen bonds, and a polarized Cδ1—H group, which is capable of forming weaker, noncanonical hydrogen bonds. Due to adjacent electron-withdrawing moieties, C—H⋯O hydrogen bonds are ubiquitous in macromolecules, albeit contingent on the polarization of the donor C—H group. Consequently, Cα—H groups (adjacent to the carbonyl and amino groups of flanking peptide bonds), as well as the Cɛ1—H and Cδ2—H groups of histidines (adjacent to imidazole N atoms), are known to serve as donors in hydrogen bonds, for example stabilizing parallel and antiparallel β-sheets. However, the nature and the functional role of interactions involving the Cδ1—H group of the indole ring of tryptophan are not well characterized. Here, data mining of high-resolution (r ≤ 1.5 Å) crystal structures from the Protein Data Bank was performed and ubiquitous close contacts between the Cδ1—H groups of tryptophan and a range of electronegative acceptors were identified, specifically main-chain carbonyl O atoms immediately upstream and downstream in the polypeptide chain. The stereochemical analysis shows that most of the interactions bear all of the hallmarks of proper hydrogen bonds. At the same time, their cohesive nature is confirmed by quantum-chemical calculations, which reveal interaction energies of 1.5–3.0 kcal mol−1, depending on the specific stereochemistry.

The mol­ecular and crystal structure of a discrete [Ni8(μ4-OH)6(μ-4-Rpz)12]2− (R = H; pz = pyrazolate anion, C3H3N2−) cluster with an unprecedented, perfectly cubic arrangement of its eight Ni centers is reported, along with its lower-symmetry alkyl-functionalized (R = methyl and n-oct­yl) derivatives. Crystals of the latter two were obtained with two identical counter-ions (Bu4N+), whereas the crystal of the complex with the parent pyrazole ligand has one Me4N+ and one Bu4N+ counter-ion. The methyl derivative incorporates 1,2-di­chloro­ethane solvent mol­ecules in its crystal structure, whereas the other two are solvent-free. The compounds are tetra­butyl­aza­nium tetra­methyl­aza­nium hexa-μ4-hydroxido-dodeca-μ2-pyrazolato-hexa­hedro-octa­nickel, (C16H36N)(C4H12N)[Ni8(C3H3N2)12(OH)6] or (Bu4N)(Me4N)[Ni8(μ4-OH)6(μ-pz)12] (1), bis­(tetra­butyl­aza­nium) hexa-μ4-hydroxido-dodeca-μ2-(4-methyl­pyrazolato)-hexa­hedro-octa­nickel 1,2-di­chloro­ethane 7.196-solvate, (C16H36N)2[Ni8(C4H5N2)12(OH)6]·7.196C2H4Cl2 or (Bu4N)2[Ni8(μ4-OH)6(μ-4-Mepz)12]·7.196(ClCH2CH2Cl) (2), and bis­(tetra­butyl­aza­nium) hexa-μ4-hydroxido-dodeca-μ2-(4-octylpyrazolato)-hexa­hedro-octa­nickel, (C16H36N)2[Ni8(C11H19N2)12(OH)6] or (Bu4N)2[Ni8(μ4-OH)6(μ-4-nOctpz)12] (3). All counter-ions are disordered (with the exception of one Bu4N+ in 3). Some of the octyl chains of 3 (the crystal is twinned by non-merohedry) are also disordered. Various structural features are discussed and contrasted with those of other known [Ni8(μ4-OH)6(μ-4-Rpz)12]2− complexes, including extended three-dimensional metal–organic frameworks. In all three structures, the Ni8 units are lined up in columns.

The influence of various combinations of residual stress, composition and grain interaction gradients in polycrystalline materials with cubic symmetry on energy-dispersive X-ray stress analysis is theoretically investigated. For the evaluation of the simulated sin2ψ distributions, two different strategies are compared with regard to their suitability for separating the individual gradients. It is shown that the separation of depth gradients of the strain-free lattice parameter a0(z) from residual stress gradients σ(z) is only possible if the data analysis is carried out in section planes parallel to the surface. The impact of a surface layer z* that is characterized by a direction-dependent grain interaction model in contrast to the volume of the material is quantified by comparing a ferritic and an austenitic steel, which feature different elastic anisotropy. It is shown to be of minor influence on the resulting residual stress depth profiles if the data evaluation is restricted to reflections hkl with orientation factors Γhkl close to the model-independent orientation Γ*. Finally, a method is proposed that allows the thickness of the anisotropic surface layer z* to be estimated on the basis of an optimization procedure.

Using the well known Rn ratio method, a protocol has been elaborated for determining the lattice direction for the 15 most common cubic zone axis spot patterns. The method makes use of the lengths of the three shortest reciprocal-lattice vectors in each pattern and the angles between them. No prior pattern calibration is required for the method to work, as the Rn ratio method is based entirely on geometric relationships. In the first step the pattern is assigned to one of three possible pattern types according to the angles that are measured between the three reciprocal-lattice vectors. The lattice direction [uvw] and possible Bravais type(s) and Laue indices of the corresponding reflections can then be determined by using lookup tables. In addition to determining the lattice direction, this simple geometric analysis allows one to distinguish between the P, I and F Bravais lattices for spot patterns aligned along [013], [112], [114] and [233]. Moreover, the F lattice can always be uniquely identified from the [011] and [123] patterns.

The continued spurt in food prices and fading of the high base effect likely led to a spike in October retail inflation figures. According to a report by the Union Bank of India, retail inflation based on the Consumer Price Index is seen jumping to 6.15 per cent, breaching RBI's 6 per cent tolerance band.

The new and improved AGELESS provides a timely packaging solution for customers navigating the PFAS regulatory landscape.

The Plastics Pipe Institute (PPI) published a new technical report related to the break resistance of PEX pipe and tubing when fluid inside becomes frozen.

Rene Rubio recognized for over 10 years of success in his industry

Eric C. Rubinfeld is recognized for his expert leadership of Westchester Eyes and White Plains Eye Care

The high-profile project in Midtown Atlanta's northern arts district is the most recent Atlanta project for the Chicago-based ISP.

Adela Haratz-Rubinstein, DDS, has over 40 years of experience in the dental industry

Amir Dan Rubin, renowned for his transformative leadership at One Medical, where he spearheaded its $4 billion acquisition by Amazon in 2023, will headline the event.

Guaranteed Results, Unrivaled Value

David Sedgwick Lobel-Mandrake and Dr. Lana Lubimoff appointed to leadership roles at the International Society of Diplomats, advancing global diplomacy.

One thing is clear: The widespread adoption of GenAI will not lead to fewer knowledge jobs, but rather, it will pave the way for their growth and evolution.

STARK COUNTY, 28 DE OCTUBRE DE 2024 – La American Heart Association (la Asociación Americana del Corazón), que es la principal organización sin ánimo de lucro del mundo dedicada a la salud del corazón y el cerebro para todos, cuenta ahora con centros de...

President-elect Donald Trump reportedly plans to name Florida Sen. Marco Rubio (R) as his secretary of state, The New York Times reported Monday night.

"Starting off with an attack on S.T.A.R. Labs in Gotham City by a giant robot that steals an entire room of the laboratory— Batman is going to have to stop it before it can cause more harm … and with Lex Luthor freshly back in Gotham— he knows where to start his search. Will Batman be able to topple the billionaire before he leaves Gotham?" -- Provided by publisher.

Can a brief history of the modern office help us understand changes happening today?

Mitsubishi Electric Cooling & Heating’s new H2i R2-Series heat pumps provide year-round comfort, even in extreme climates. 

Andy Kelso was named COO; Shane Lawrence, CFO; Brinnon Williams, vice president of residential business; and David Archer, vice president of commercial business.

Kishore Bhatia talks with Kieren James-Lubin about Blockchains. Topics include Blockchains, Cryptocurrency, Bitcoin, Ethereum, Smart Contract development with Solidity, ICO’s and Tokens.

The new and improved AGELESS provides a timely packaging solution for customers navigating the PFAS regulatory landscape.

LOS ANGELES - French video game titan Ubisoft on Monday unveiled a new subscription service and a Brexit-tinged title as it taps into the industry trend toward streaming games.

Beleaguered game publisher Ubisoft is now facing backlash from players, who are seeking to attain a class action lawsuit against the company after it shut down the online multiplayer racing game The Crew. This lawsuit comes on top of struggles Ubisoft has seen with its recent game releases, with the flagship Star Wars Outlaws’ disappointing

La cuarta generación del primer SUV híbrido enchufable tiene 302 CV y 86 km de autonomía en modo eléctrico. No tiene precios todavía. Leer

La japonesa refuerza su apuesta por Europa y en 2025 llegana las primeras unidades de su 'buque insignia', el Outlander PHEV. Parte de los 39.700 euros pero hay que cumplir varias condiciones Leer

El Gobierno y sus socios prevén elevar en casi 10 céntimos el precio por litro del gasóleo para igualarlo a la gasolina. Entraría en vigor en abril de 2025. Leer

Un lector se queja de la subida en los impuestos y en el precio de los servicios municipales.

Los socialistas desconvocan la comisión parlamentaria de Hacienda al no tener aún mayoría para sus enmiendas Leer

Nadal jugará sus últimos partidos el próximo noviembre en la Copa Davis que se disputa en Málaga Leer

Los contribuyentes pueden aprovechar la recta final del año para intentar bajar su factura fiscal antes de que el Gobierno apruebe próximas subidas Leer

Las regiones más afectadas son Madrid y Cataluña, con un 40,5% y un 34,2% de asegurados sobre el total de la población, respectivamente Leer

El informe técnico sobre la documentación utilizada por el Ayuntamiento constata carencias como la falta de previsión sobre los "sujetos pasivos por las categorías de las tarifas", los ingresos y de la cuantía de las bonificaciones incorporadas a la norma. El incremento medio de las basuras oscila entre el 47% previsto por el Gobierno al 85% de la oposición Leer

La coalición 'abertzale' defiende su apoyo a la propuesta fiscal del PSE-EE y PNV porque ha introducido "progresividad" a las tasas más importantes. Sube un 7% el Impuesto de Actividades a medio centenar de empresas vitorianas que facturan más de 1 millón de euros Leer

La consejera socialista de Justicia logra los recursos para aumentar en 287 las plazas en el sistema penitenciario vasco pero no concreta cuándo activará las ofertas públicas. Decenas de funcionarios de las tres prisiones vascas se inscriben en el concurso de traslado para abandonar Euskadi Leer

Los diputados generales de Álava y de Gipuzkoa confían en cerrar acuerdos con algún partido de la oposición en negociaciones que incluirán tanto los ingresos como los presupuestos. EH Bildu reclama antes del Consejo Vasco más recursos para los ayuntamientos para resolver los "principales problemas y los más enquistados" Leer

La campaña en redes sociales del ex vicerrector de Eva Ferreira contra la candidatura de Joxerramon Bengoetxea estalla en el inicio de la campaña. Bengoetxea admite las disculpas de su rival pero constata un intento de "desprestigiar su candidatura" más allá del juego sucio en redes sociales Leer

Los compradores que pasan la criba de las entidades se apresuran a cerrar las negociaciones para evitar el endurecimiento de las condiciones y el encarecimiento de precios que vendrá Leer

El republicano de Miami fue elegido para el Senado en 2010 y ha mantenido una posición como halcón en política exterior Leer

Entré en el Penal de mujeres de San Salvador de Jujuy esperando encontrar un estandarte de la lucha feminista en Argentina: Romina Tejerina. El movimiento feminista tomó su caso como bandera para pedir la legalización del aborto en Argentina. Aseguran que si Romina hubiera podido abortar, su trágica historia no habría sucedido. Esta joven argentina fue condenada en julio de 2005 a 14 años de cárcel por haber acuchillado su hija el mismo día en que la parió, en el inodoro de su casa. Dijo que la criatura era fruto de una violación y que se cegó al ver la cara de su agresor en el rostro de su hija. Sin embargo, el caso no pudo probarse y Romina fue sentenciada sin atenuantes a pasar su juventud en cautiverio.

El ex presidente de la Generalitat ve dañada la "credibilidad de las instituciones" y reclama cambios para recuperar el "sustento moral" que necesita un gobierno que debe iniciar la reconstrucción Leer

Quantum physicists have developed an algorithm that uses a single qubit to solve a problem that had previously needed thousands of them.

The Stranger's morning news round-up. by Ashley Nerbovig

Goooooood morning: The National Weather Service predicts a 50% chance of rain today, with a breezy evening ahead. Meteorologists expect wind speeds to possibly top 29 miles per hour, so batten down your rotting porch pumpkins people!

Time to talk dollars: Want to tell the City Council how to spend your tax dollars? Go to public comment tonight at 5 pm at City Hall. Or you can participate remotely. You can go to tell them to support a capital gains tax, or oppose cuts to tenant services. Or tell the Council to respect the Jumpstart spend plan and actually use the payroll tax to pay for affordable housing, as it was intended. Check back on the blog for more coverage of the budget from Hannah. 

ICYMI: With the blowout loss for former Council Member Tanya Woo, Hannah tells City Council Member Sara Nelson to count her days. Local politicos plan to mount a serious challenge to the conservative Council President Nelson next year in the hopes of ousting her and her pro-cop, pro-business agenda out of office.

Rob Saka Seeks Street Car phase-out: Saka proposed phasing out the South Lake Union streetcar and redirecting the funding to bus service in the City. The budget for the street car is about $4.4 million, which isn't a whole lot of money when you consider Saka wants $2 million to remove the Delridge median so he can take a left turn.

Last week, the Office of Police Accountability (OPA) completed its investigation into Seattle Police Department (SPD) Officer Kevin Dave, who hit and killed 23-year-old Jaahnavi Kandula as she crossed through a crosswalk in January 2023. The OPA found Dave violated the department's driving policies as well as its policies requiring officers to follow the law. The City must hold a Loudermill hearing for Dave, which allows him to tell his side of the story before deciding on his discipline, so it may be a couple months before we know the final outcome. In the meantime, Dave continues to fight the traffic ticket Republican City Attorney Ann Davison issued him for his killing of Kandula. Seattle Municipal Court shows Dave's next hearing is scheduled for 8:30 am on December 18 in courtroom 301. 

BREAKING: OPA concluded its investigation into SPD Officer Kevin Dave on Friday and sustained policy violations for breaking the law and vehicle operation. Next step will be deciding discipline for him.

— Ashley Nerbovig (@AshleyNerbovig) November 11, 2024

What's your plan for this week anyway? Maybe you're checking out Christmas Dive Bar? Or maybe it's too soon? Maybe you're trying to enjoy something with more Thanksgiving vibes? Well, as always, our sister publication EverOut has you covered with the top 41 things to do this week in Seattle.

Republicans likely to control the US House: As it stands, Republicans have won 214 seats in the House, with Democrats at 205, and 16 races yet to be called. To control the House, Republicans need only to pick up another four seats, which they seem highly likely to do. Congress returned to Washington this week, ready to start setting Trump's right-wing agenda into motion.

Trump plans to pick Senator Marco Rubio for Secretary of State: The worst people in American continue to jockey for a position in Trump's new administration, with Florida Republican Rubio possibly securing the role of America's top diplomat, according to Politico. We're sure to hear more names in the coming days, including people such as Tiffany Justice, co-founder of Moms for Liberty, who Trump may consider for Secretary of Education. The nightmare continues. 

Israel kills 14 in Gaza: Two Israeli strikes killed 14 people in an area Israel had mostly declared to be a humanitarian zone. The deaths included at least two children, according to the Associated Press. 

Migos’ “Bad And Boujee” (Feat. Lil Uzi Vert): Been a minute since I checked out Tom Breihan's the Number Ones column, and I'm glad I plumbed it for a song today because I normally wouldn't think about Migos around holiday season, but that's when "Bad and Boujee" climbed to the number one spot on the charts, so I suppose that makes it a holiday classic.

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Hygienic and breathable shapewear garment comes with cotton gusset. Contains Meryl SkinLife with permanent anti-bacteria properties.

Hygienic and breathable shapewear garment that contains Meryl SkinLife with permanent anti-bacteria properties.

The Great Hall of St. John's Cathedral was abuzz on a recent Monday evening, as musicians chatted, arranged their music stands just so and tuned their instruments in a pleasant cacophony…

The Bhartia family and Goldman Sachs are joining forces for a significant deal. They are planning to acquire a large stake in HCCB, the bottling arm of Coca-Cola in India. Goldman Sachs will provide substantial financial backing for this venture. The deal involves a planned future listing of HCCB, allowing Goldman Sachs to exit strategically. This move mirrors PepsiCo's successful strategy with Varun Beverages.

Jubilant Foodworks Ltd., the operator of Domino's Pizza and Dunkin' in India, reported a lower net profit of Rs 66.53 crore in the second quarter, compared to Rs 97.2 crore in the same period last year. Despite the profit dip, revenue rose to Rs 1,954.72 crore from Rs 1,368.63 crore, fueled by expansion and growth in the Indian market.

President-elect Donald Trump has gone against media expectations by tapping Marco Rubio, Kristi Noem and a number of other Capitol Hill veterans to fill posts in his second administration.