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It's been 50 years since Rolling Stones founder Brian Jones died

July 3, 2019 is the 50th anniversary of the day that Brian Jones was pronounced dead. Jones founded the Rolling Stones, gave them their name and was their first business manager.




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Denzel Washington details a retirement path that includes a role in 'Black Panther 3'

Denzel Washington is retiring after his next few projects, he said in a recent interview.




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Rebroadcast: What's The Story Behind New Hampshire's Stone Walls?

Robert Frost famously said “good fences make good neighbors” and if you’re out for a walk in the woods in New Hampshire, you will likely find a stone wall. We talk with Kevin Gardner, a master stone builder and author of several books on the subject, about the on-going appeal of stone walls and how to build them. He explains the philosophy behind the craft of placing stone and examines the mythology of the stone wall and its place in the New England imagination.




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Over 200K subscribers flee Washington Post after Bezos blocks Harris endorsement

Over 200,000 people canceled their subscriptions in the first few days following news that The Washington Post would not endorse any presidential candidate.




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Tongues-talking Tyler Perry caught on video raining ‘dollars’ on stripper at Usher concert

Tongues-talking movie-mogul Tyler Perry, whose Christian values have been criticized by fans over the years, has come under scrutiny again after he was caught on video raining fake money on a stripper at R&B singer Usher’s Past Present Future Tour in Atlanta, Georgia, on Sunday.




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Lebanon Landfill's 11-Family Compost Pilot Diverts One Ton Of Food Scraps

Earlier this year, the city of Lebanon gave a small group of residents the chance to bring not their trash and recyclables to the local landfill, but their compost too. It makes Lebanon one of a few cities in the state helping residents reduce food waste, which is a major contributor to climate change.




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Boston Children's slashed doctors' time to assess kids before referring them for trans procedures

A former “gender-care specialist” at Boston Children’s Hospital testified that her ex-employer slashed the time allotted for psychologists to assess minors expressing confusion about their sex before referring them for life-altering procedures. 




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Upper Arlington Olympian Strives For Laziness On Few Days Off

Upper Arlington native and Olympic diver Abby Johnston is aiming for gold in the Rio Olympics. When she’s not diving or studying medicine, she’s probably eating fast food and lounging with her fiancé .




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Why did Yeltsin lie to Clinton about Putin?

Source: REX/Shutterstock Boris Yeltsin lied when he said that he had been looking for a successor in the person of Vladimir Putin for a long time, historian Andrei Fursov told Pravda.Ru.Declassified transcripts of Bill Clinton's phone conversations with Boris Yeltsin in 1999 show that the late Russian president says that it took him long to find the man who would be in charge of Russia in 2000. "I came across him eventually, this is Putin. You will work with him," Yeltsin told Clinton promising that Putin would continue his line of Russia's democratic development and expand Russias contacts. Historian and political scientist Andrei Fursov noted in an interview with Pravda.Ru that Boris Yeltsin was reporting his decisions and ideas to Bill Clinton. "He informed his boss about his choice. It brings up the memory of Yeltsin's call to George H. Bush after the decision to disintegrate the Soviet Union. Bush was the first man whom Yeltsin called. Gorbachev was hurt by that. In another episode, Yeltsin tried to assure US Congress that communism would never be back on the Russian territory. This transcript is another evidence to prove the fact that Russia used to be a semi-colony during Yeltsin's presidency," the expert said. "I think that Yeltsin lied when he said that he had been searching for a successor for a long time. From what I know about the events of the late 1990s, Yeltsin did not intend to quit his job, but there were several aspects that forced American masters to put pressure on him. First, there was a conspiracy in the army led by Rokhlin to remove Yeltsin from power. Rokhlin's murder ruined the plan, and people in Yeltsin's team realised that there was serious discontent brewing in the army. "Secondly, not long before that, the parliament had nearly impeached Yeltsin. In addition, Russia suffered a default in 1998. Those three events drew the line under Yeltsin's rule, and he had to quickly search for a successor. Apparently, he counted on Stepashin at first, but then it turned out that the latter was ready to compromise with the Primakov-Luzhkov team, so a need in another candidate arose. "Today, the Russian leadership should give a moral assessment to Yeltsin's rule. In today's Russia, many tend to despise Gorbachev a lot, but they dislike Yeltsin to a lesser degree. Yeltsin was a product of Gorbachev's rule. Yeltsin was working within the corridor of opportunities set by Gorbachev. Gorbachev is still alive, and the man who destroyed the USSR should be held accountable for that. At the same time, I understand that Putin does not want to criticise Yeltsin because it was Yeltsin who made Putin his successor," the expert told Pravda.Ru. 




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Russia launches 170-meter-long surprise for Washington

On January 11, 2022, Russia launched its second serial missile submarine of Project 955 Borei-A. Borei-A submarine: An unpleasant surprise for Washington The submarine cruiser is the brainchild of the Rubin Design Bureau. The vessel was built for seven years. This is a second-to-none submarine, just like its four brothers that are already on combat duty. Prior to this, on December 25 last year, the new submarine was solemnly taken out of the boathouse. The submarine will have to undergo complex trials at all levels before it can be handed over to the navy in 12 months.




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Zelensky's demand for Tomahawk missiles gives Washington jitters

Volodymyr Zelensky's demand to transfer American Tomahawk missiles to Ukraine gave Washington the jitters, Russian Foreign Minister Sergey Lavrov said on the sidelines of the Minsk International Conference on Eurasian Security. "We know that his demand for Tomahawks caused bewilderment in Washington," Russian Foreign Minister Sergey Lavrov said. The Americans will "slap Zelensky on his hands" to ensure their security if he continues to try to drag them into the war against Russia, Lavrov noted.




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Houston area business will pay $300,000 for workers’ compensation insurance fraud

This week, a Travis County district court judge convicted Sehgal & Sons Enterprises (Ultra Business Services Inc.) of first-degree felony in a scheme to defraud Texas Mutual Insurance Company (Texas Mutual).




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Wife of former San Antonio trucking magnate sentenced in multi-million-dollar fraud scheme

Frances Hall, former co-owner of Bill Hall Jr. Trucking, has been sentenced for her role in a scheme to avoid $9 million in workers’ compensation premiums.




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Russian forces drop three-ton bomb on Ukrainian positions in Kursk region

A three-ton FAB-3000 aerial bomb dropped by the Russian forces on the positions of the Armed Forces of Ukraine in the Kursk region of Russia cleared an area of ​​one square kilometer. An underground command post of the Armed Forces of Ukraine, an ammunition depot, and several units of combat armoured vehicles were obliterated in the bombing. It remains unknown how many Ukrainian servicemen were killed. The video of the use of the aerial bomb in the Kursk region appeared on November 7, but the date of the attack was not specified.




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Bill Clinton tried to bribe Boris Yeltsin for NATO to expand eastwards

Former US President Bill Clinton offered Russian President Boris Yeltsin large investments in Russia in the 1990s in exchange for NATO's eastward expansion and Moscow's approval of that expansion. A number of declassified documents testifying to USA's plans to buy off Russia became available on the website of the US Presidential Library. According to the documents, Yeltsin responded to Clinton's suggestion by saying that such a measure was like a bribe in exchange for Russia's consent to NATO's expansion to the detriment of her own interests.




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Geologists discover over 100 tons of gold in Russia's Chukotka

More than 100 tons of gold were found on Sovinoye deposit in Chukotka (a region in the Far East of Russia). This is the largest deposit to have been discovered since the collapse of the USSR in 1991, Atomredmetzoloto Company (ARMZ), a mining division of Rosatom state corporation said. Drilling operations were carried under continuous permafrost conditions all the year round, the company said. In just three years, 123 wells were drilled (more than 32 km in total). At the moment, all prospecting, topographic-geodetic, geological-geochemical and geophysical works on the deposit have been completed. Rosatom invested more than 1 billion rubles to create a mining cluster based on the Sovinoye deposit. The project provides for the creation of an industrial complex for the extraction and processing of gold ores with the further production of alloyed gold bars.




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Boston Dynamics presents humanoid robot of new generation

Boston Dynamics presented the new robot. The company refused from the old hydraulic platform to introduce the new electric one under the same name, Atlas. The new robot is completely electronic, there are no hydraulic systems involved. The new robot will be stronger and more maneuverable as all developments of the previous generation of the robot will be improved. The company is ambitious to introduce humanoid robots and create infrastructure for them, including software.




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Russia may strike nuclear blow not only on Kyiv, but also on Washington

Alexander Perendzhiev, a member of the expert council of Russian Officers, candidate of political sciences, gave his assessment to the warning from American analysts about the likelihood of NATO troops entering Ukraine. According to him, the direct intervention of the United States and the North Atlantic Alliance in the Russian special operation in Ukraine will change the course of the operation and provoke a full-scale war with Russia. The presence of American and NATO military personnel on the territory of a neighboring country is a threat to the existence of the Russian Federation as a state, the political scientist explained. In this case, Moscow will resort to nuclear weapons, he stressed.




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UK to transfer 100 Brimstone air-to-ground missiles for Ukrainian F-16 fighter jets

London will additionally transfer about a hundred Brimstone missiles, artillery guns and ammunition, British Secretary of State for Defence John Healey said earlier. It was previously reported that the UK would transfer 100 missiles for F-16 aircraft to Ukraine at the end of the summer. The transfer of the fighters has allegedly begun. In the fall of 2022, London transferred Brimstone-2 missiles with increased range and laser guidance to the Armed Forces o Ukraine. In February 2024, the UK announced plans to transfer another 200 homing Brimstone missiles to Ukraine. The Brimstone family includes several modifications of missiles. They are launched mainly from aircraft, helicopters or unmanned vehicles to strike sea and land targets, including moving ones. One Brimstone missile costs about 175,000 pounds sterling ($234,500).




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Yukos skeletons. What links Aleksey Golubovich with former owners of the oil company. Part I

Russia's refusal to pay $50 billion to former Yukos shareholders will lead to new investigations.On March 31, the Moscow City Court will consider an appeal, which was filed against the ruling to pay $35 million to former Yukos shareholder Alexey Golubovich by his ex-wife Olga Mirimskaya. Allegedly, she received the money for the sale of Yukos shares 15 years ago, and her ex-husband asked for his share as part of the divorce proceedings that have been ongoing for the last ten years. These are unusual demands as Mirimskaya has never owned shares in the oil company. In addition, Golubovich was not only its shareholder, but also served as the director for strategic planning and corporate finance at OAO NK Yukos and was aware of all information related to the financial dealings of the oil giant. A journalistic investigation conducted by Pravda.Ru showed that Alexey Golubovich likely still works in close collaboration with other ex-owners of Yukos. Alexey Golubovich, a former shareholder of Yukos oil company, and Olga Mirimskaya, the chairwoman of the Board of Directors of BKF Bank, divorced in 2012, but the litigation over the division of their marital property continues to this day. Olga Mirimskaya is the founder of the Russian Product Company. She is also President of BKF Bank. Mirimskaya is charged with giving a bribe — two vehicles worth a total of 3.25 million rubles — to Yury Nosov, an investigator at the Moscow Region Department of the Investigative Committee in 2017. He handled the case, in which she appeared as a victim in connection with the kidnapping of her daughter. Nosov and Mirimskaya were arrested in the bribery case. They plead not guilty, claiming that the case has been initiated under false pretences with malicious intent. "According to the defendant, the case was initiated by Alexey Golubovich, as well as by her former common-law partner Nikolai Smirnov, a co-owner of the Golden Crown payment system, as an act of revenge for the return of her daughter, in order to seize her property," Mirimskaya's lawyer Alexander Chernov said.




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Skeletons of Yukos. Why GML paid Alexey Golubovich $44 million. Part 2

Continued. Read Part I of the article here. Alexey Golubovich, Yukos's former director for strategic planning and corporate finance was one of the main witnesses in the case against Yukos. How can one determine the basis of his testimony? Was it a wish to help the Russian justice system or the subtle game of a "double agent"? In order to understand this, one may need to recall a few facts from his business biography. In the first part of our investigation, we talked about Alexey Golubovich's business projects and lawsuits in 2010–2022, in which one could see both the shadows of his former Yukos colleagues (for example, Mikhail Khodorkovsky, Yuri Beilin) ​and the non-systemic opposition.




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The Dmanisi Skeleton

In 2007, the discovery of fossilized bones from the body (as opposed to the head) of the Dmanisi hominids was announced. These bones show that the Dmanisi hominids were bipedal, but with some primitive characteristics particularly in the upper body. The bones are definitely not those of apes, but they are not quite like those of modern humans either. At the Panda's Thumb, I have responded to articles about these fossils by Casey Luskin of the Discovery Institute, and Answers In Genesis. ...




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UA Little Rock Breaks $200 Million in Significant Centennial Campaign Milestone

The University of Arkansas at Little Rock has reached an exciting milestone in its Centennial Campaign, raising $203 million toward its overall campaign goal of $250 million by 2027. This represents the largest amount ever raised in a UA Little Rock campaign, exceeding the previous campaign by $100 million.




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33 Binghamton University Researchers Among World's Top 2%

Nearly three dozen Binghamton University, State University of New York researchers have been honored for their work by a Stanford University study that looks at the impact of scientists worldwide. The recently released ranking has identified 33 current faculty who were among the top 2% of all researchers in the world in their fields in 2023.




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33 Binghamton University Researchers Among World's Top 2%

Nearly three dozen Binghamton University, State University of New York researchers have been honored for their work by a Stanford University study that looks at the impact of scientists worldwide. The recently released ranking has identified 33 current faculty who were among the top 2% of all researchers in the world in their fields in 2023.




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A New Milestone in the Study of Octopus Arms

Newly published research by Grainger Engineers in Mechanical Science and Engineering describes an unprecedented computational model that captures the intricate muscular architecture of an octopus arm.




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American Sociological Association Appoints Heather Washington as Executive Director

The appointment is historic for ASA; Washington is the first person of color, and the first Minority Fellowship Program (MFP) alum named ASA executive director.




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Sports Ministry: Badminton Korea Association Leader Could Face Embezzlement Charges

[Sports] :
The Ministry of Culture, Sports and Tourism says it has uncovered evidence of financial misconduct at the Badminton Korea Association(BKA). During a briefing on an ongoing investigation Tuesday, the ministry said it suspects the head of the association and another top official improperly distributed 150 ...

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Badminton Body Strongly Protests Allegations of Embezzlement, Breach of Trust

[Sports] :
The national governing body of badminton has strongly protested the sports ministry's allegations of embezzlement and breach of trust by its chief, Kim Taek-gyu. In a statement late Friday, the Badminton Korea Association(BKA) said it will hold the government legally responsible for defamation, ...

[more...]




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US Congresswoman of Korean Descent Wins Third Term in Washington’s 10th District

[International] :
Marilyn Strickland, a U.S. congresswoman of Korean descent, has won a third term as the representative of Washington State’s Tenth District. According to the Associated Press, the Democratic congresswoman defeated her Republican rival, Don Hewitt, in Tuesday’s general elections, securing 58-point-three ...

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Crystal structure and Hirshfeld surface analysis of bis­(benzoyl­acetonato)(ethanol)dioxidouranium(VI)

In the complex, the ligand binds to the metal through an oxygen atom. The geometry of the seven-coordinate U atom is penta­gonal bipyramidal, with the uranyl O atoms in apical positions.




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Performance of a photoelectron momentum microscope in direct- and momentum-space imaging with ultraviolet photon sources

The Photoelectron-Related Image and Nano-Spectroscopy (PRINS) endstation located at the Taiwan Photon Source beamline 27A2 houses a photoelectron momentum microscope capable of performing direct-space imaging, momentum-space imaging and photoemission spectroscopy with position sensitivity. Here, the performance of this microscope is demonstrated using two in-house photon sources – an Hg lamp and He(I) radiation – on a standard checkerboard-patterned specimen and an Au(111) single crystal, respectively. By analyzing the intensity profile of the edge of the Au patterns, the Rashba-splitting of the Au(111) Shockley surface state at 300 K, and the photoelectron intensity across the Fermi edge at 80 K, the spatial, momentum and energy resolution were estimated to be 50 nm, 0.0172 Å−1 and 26 meV, respectively. Additionally, it is shown that the band structures acquired in either constant energy contour mode or momentum-resolved photoemission spectroscopy mode were in close agreement.




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Quantifying bunch-mode influence on photon-counting detectors at SPring-8

Count-loss characteristics of photon-counting 2D detectors are demonstrated for eight bunch-modes at SPring-8 through Monte Carlo simulations. As an indicator, the effective maximum count rate was introduced to signify the X-ray intensity that the detector can count with a linearity of 1% or better after applying a count-loss correction in each bunch-mode. The effective maximum count rate is revealed to vary depending on the bunch-mode and the intrinsic dead time of the detectors, ranging from 0.012 to 0.916 Mcps (megacounts per second) for a 120 ns dead time, 0.009 to 0.807 Mcps for a 0.5 µs dead time and 0.020 to 0.273 Mcps for a 3 µs intrinsic detector dead time. Even with equal-interval bunch-modes at SPring-8, the effective maximum count rate does not exceed 1 Mcps pixel−1. In other words, to obtain data with a linearity better than 1%, the maximum intensity of X-rays entering the detector should be reduced to 1 Mcps pixel−1 or less, and, in some cases, even lower, depending on the bunch-mode. When applying count-loss correction using optimized dead times tailored to each bunch-mode, the effective maximum count rate exceeds the values above. However, differences in the effective maximum count rate due to bunch-modes persist. Users of photon-counting 2D detectors are encouraged to familiarize themselves with the count-loss characteristics dependent on bunch-mode, and to conduct experiments accordingly. In addition, when designing the time structure of bunch-modes at synchrotron radiation facilities, it is essential to take into account the impact on experiments using photon-counting 2D detectors.




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High-pressure X-ray photon correlation spectroscopy at fourth-generation synchrotron sources

A new experimental setup combining X-ray photon correlation spectroscopy (XPCS) in the hard X-ray regime and a high-pressure sample environment has been developed to monitor the pressure dependence of the internal motion of complex systems down to the atomic scale in the multi-gigapascal range, from room temperature to 600 K. The high flux of coherent high-energy X-rays at fourth-generation synchrotron sources solves the problems caused by the absorption of diamond anvil cells used to generate high pressure, enabling the measurement of the intermediate scattering function over six orders of magnitude in time, from 10−3 s to 103 s. The constraints posed by the high-pressure generation such as the preservation of X-ray coherence, as well as the sample, pressure and temperature stability, are discussed, and the feasibility of high-pressure XPCS is demonstrated through results obtained on metallic glasses.




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A new experimental setup for combined fast differential scanning calorimetry and X-ray photon correlation spectroscopy

Synchrotron-radiation-based techniques are a powerful tool for the investigation of materials. In particular, the availability of highly brilliant sources has opened the possibility to develop techniques sensitive to dynamics at the atomic scale such as X-ray photon correlation spectroscopy (XPCS). XPCS is particularly relevant in the study of glasses, which have been often investigated at the macroscopic scale by, for example, differential scanning calorimetry. Here, we show how to adapt a Flash calorimeter to combine XPCS and calorimetric scans. This setup paves the way to novel experiments requiring dynamical and thermodynamic information, ranging from the study of the crystallization kinetics to the study of the glass transition in systems that can be vitrified thanks to the high cooling rates reachable with an ultrafast calorimeter.




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Mapping of lithium ion concentrations in 3D structures through development of in situ correlative imaging of X-ray Compton scattering-computed tomography

Understanding the correlation between chemical and microstructural properties is critical for unraveling the fundamental relationship between materials chemistry and physical structures that can benefit materials science and engineering. Here, we demonstrate novel in situ correlative imaging of the X-ray Compton scattering computed tomography (XCS-CT) technique for studying this fundamental relationship. XCS-CT can image light elements that do not usually exhibit strong signals using other X-ray characterization techniques. This paper describes the XCS-CT setup and data analysis method for calculating the valence electron momentum density and lithium-ion concentration, and provides two examples of spatially and temporally resolved chemical properties inside batteries in 3D. XCS-CT was applied to study two types of rechargeable lithium batteries in standard coin cell casings: (1) a lithium-ion battery containing a cathode of bespoke microstructure and liquid electrolyte, and (2) a solid-state battery containing a solid-polymer electrolyte. The XCS-CT technique is beneficial to a wide variety of materials and systems to map chemical composition changes in 3D structures.




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The diamond–silicon carbide composite Skeleton® as a promising material for substrates of intense X-ray beam optics

The paper considers the possibility of using the diamond-silicon carbide composite Skeleton® with a technological coating of polycrystalline silicon as a substrate for X-ray mirrors used with powerful synchrotron radiation sources (third+ and fourth generation). Samples were studied after polishing to provide the following surface parameters: root-mean-square flatness ≃ 50 nm, micro-roughness on the frame 2 µm × 2 µm σ ≃ 0.15 nm. The heat capacity, thermal conductivity and coefficient of linear thermal expansion were investigated. For comparison, a monocrystalline silicon sample was studied under the same conditions using the same methods. The value of the coefficient of linear thermal expansion turned out to be higher than that of monocrystalline silicon and amounted to 4.3 × 10−6 K−1, and the values of thermal conductivity (5.0 W cm−1 K−1) and heat capacity (1.2 J K−1 g−1) also exceeded the values for Si. Thermally induced deformations of both Skeleton® and monocrystalline silicon samples under irradiation with a CO2 laser beam have also been experimentally studied. Taking into account the obtained thermophysical constants, the calculation of thermally induced deformation under irradiation with hard (20 keV) X-rays showed almost three times less deformation of the Skeleton® sample than of the monocrystalline silicon sample.




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Crystal structures of two unexpected products of vicinal di­amines left to crystallize in acetone

Herein we report the crystal structures of two ben­zo­di­az­e­pines obtained by reacting N,N'-(4,5-di­amino-1,2-phenyl­ene)bis­(4-methyl­ben­zene­sul­fon­am­ide) (1) or 4,5-(4-methyl­ben­zene­sul­fon­am­ido)­ben­zene-1,2-diaminium dichloride (1·2HCl) with acetone, giving 2,2,4-trimethyl-8,9-bis­(4-methyl­ben­zene­sul­fon­am­ido)-2,3-di­hydro-5H-1,5-ben­zo­di­az­e­pine, C26H30N4O4S2 (2), and 2,2,4-tri­methyl-8,9-bis­(4-methyl­ben­zene­sul­fon­am­ido)-2,3-di­hydro-5H-1,5-ben­zo­di­az­e­pin-1-ium chloride 0.3-hydrate, C26H31N4O4S2+·Cl−·0.3H2O (3). Compounds 2 and 3 were first obtained in attempts to recrystallize 1 and 1·2HCl using acetone as solvent. This solvent reacted with the vicinal di­amines present in the mol­ecular structures, forming a 5H-1,5-ben­zo­di­az­e­pine ring. In the crystal structure of 2, the seven-membered ring of ben­zo­di­az­e­pine adopts a boat-like conformation, while upon protonation, observed in the crystal structure of 3, it adopts an envelope-like conformation. In both crystalline com­pounds, the tosyl­amide N atoms are not in resonance with the arene ring, mainly due to hy­dro­gen bonds and steric hindrance caused by the large vicinal groups in the aromatic ring. At a supra­molecular level, the crystal structure is maintained by a combination of hy­dro­gen bonds and hydro­phobic inter­actions. In 2, amine-to-tosyl N—H⋯O and amide-to-imine N—H⋯N hy­dro­gen bonds can be observed. In contrast, in 3, the chloride counter-ion and water mol­ecule result in most of the hy­dro­gen bonds being of the amide-to-chloride and ammonium-to-chloride N—H⋯Cl types, while the amine inter­acts with the tosyl group, as seen in 2. In conclusion, we report the synthesis of 1, 1·2HCl and 2, as well as their chemical characterization. For 2, two synthetic methods are described, i.e. solvent-mediated crystallization and synthesis via a more efficient and cleaner route as a polycrystalline material. Salt 3 was only obtained as presented, with only a few crystals being formed.




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Salt forms of amides: protonation of acetanilide

Treating the amide acetanilide (N-phenyl­acetamide, C8H9NO) with aqueous strong acids allowed the structures of five hemi-protonated salt forms of acetanilide to be elucidated. N-(1-Hy­droxy­ethyl­idene)anilinium chloride–N-phenyl­acetamide (1/1), [(C8H9NO)2H][Cl], and the bromide, [(C8H9NO)2H][Br], triiodide, [(C8H9NO)2H][I3], tetra­fluoro­borate, [(C8H9NO)2H][BF4], and di­iodo­bromide hemi(diiodine), [(C8H9NO)2H][I2Br]·0.5I2, analogues all feature centrosymmetric dimeric units linked by O—H⋯O hy­dro­gen bonds that extend into one-dimensional hy­dro­gen-bonded chains through N—H⋯X inter­actions, where X is the halide atom of the anion. Protonation occurs at the amide O atom and results in systematic lengthening of the C=O bond and a corresponding shortening of the C—N bond. The size of these geometric changes is similar to those found for hemi-protonated paracetamol structures, but less than those in fully protonated paracetamol structures. The bond angles of the amide fragments are also found to change on protonation, but these angular changes are also influenced by conformation, namely, whether the amide group is coplanar with the phenyl ring or twisted out of plane.




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Characterization of novel mevalonate kinases from the tardigrade Ramazzottius varieornatus and the psychrophilic archaeon Methanococcoides burtonii

Mevalonate kinase is central to the isoprenoid biosynthesis pathway. Here, high-resolution X-ray crystal structures of two mevalonate kinases are presented: a eukaryotic protein from Ramazzottius varieornatus and an archaeal protein from Methanococcoides burtonii. Both enzymes possess the highly conserved motifs of the GHMP enzyme superfamily, with notable differences between the two enzymes in the N-terminal part of the structures. Biochemical characterization of the two enzymes revealed major differences in their sensitivity to geranyl pyrophosphate and farnesyl pyrophosphate, and in their thermal stabilities. This work adds to the understanding of the structural basis of enzyme inhibition and thermostability in mevalonate kinases.




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Protonation of histidine rings using quantum-mechanical methods

Histidine can be protonated on either or both of the two N atoms of the imidazole moiety. Each of the three possible forms occurs as a result of the stereochemical environment of the histidine side chain. In an atomic model, comparing the possible protonation states in situ, looking at possible hydrogen bonding and metal coordination, it is possible to predict which is most likely to be correct. A more direct method is described that uses quantum-mechanical methods to calculate, also in situ, the minimum geometry and energy for comparison, and therefore to more accurately identify the most likely proton­ation state.




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The curious case of proton migration under pressure in the malonic acid and 4,4'-bi­pyridine cocrystal

In the search for new active pharmaceutical ingredients, the precise control of the chemistry of cocrystals becomes essential. One crucial step within this chemistry is proton migration between cocrystal coformers to form a salt, usually anticipated by the empirical ΔpKa rule. Due to the effective role it plays in modifying intermolecular distances and interactions, pressure adds a new dimension to the ΔpKa rule. Still, this variable has been scarcely applied to induce proton-transfer reactions within these systems. In our study, high-pressure X-ray diffraction and Raman spectroscopy experiments, supported by DFT calculations, reveal modifications to the protonation states of the 4,4'-bi­pyridine (BIPY) and malonic acid (MA) cocrystal (BIPYMA) that allow the conversion of the cocrystal phase into ionic salt polymorphs. On compression, neutral BIPYMA and monoprotonated (BIPYH+MA−) species coexist up to 3.1 GPa, where a phase transition to a structure of P21/c symmetry occurs, induced by a double proton-transfer reaction forming BIPYH22+MA2−. The low-pressure C2/c phase is recovered at 2.4 GPa on decompression, leading to a 0.7 GPa hysteresis pressure range. This is one of a few studies on proton transfer in multicomponent crystals that shows how susceptible the interconversion between differently charged species is to even slight pressure changes, and how the proton transfer can be a triggering factor leading to changes in the crystal symmetry. These new data, coupled with information from previous reports on proton-transfer reactions between coformers, extend the applicability of the ΔpKa rule incorporating the pressure required to induce salt formation.




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Synthesis and crystal structures of two related Co and Mn complexes: a celebration of collaboration between the universities of Dakar and Southampton

We report the synthesis and structures of two transition-metal complexes involving 2-(2-hy­droxy­phen­yl)benzimidazole (2hpbi – a ligand of inter­est for its photoluminescent applications), with cobalt, namely, bis­[μ-2-(1H-1,3-benzo­diazol-2-yl)phenolato]bis­[ethanol(thio­cyanato)­cobalt(II)], [Co2(C13H9N2O)2(NCS)2(C2H6O)2], (1), and manganese, namely, bis­[μ-2-(1H-1,3-benzo­diazol-2-yl)phenolato]bis­{[2-(1H-1,3-benzo­diazol-2-yl)phenolato](thio­cyanato)­mang­an­ese(III)} dihydrate, [Mn2(C13H9N2O)4(NCS)2]·2H2O, (2). These structures are two recent examples of a fruitful collaboration between researchers at the Laboratoire de Chimie de Coordination Organique/Organic Coordination Chemistry Laboratory (LCCO), University of Dakar, Senegal and the National Crystallography Service (NCS), School of Chemistry, University Southampton, UK. This productive partnership was forged through meeting at Pan-African Conferences on Crystallography and quickly grew as the plans for the AfCA (African Crystallographic Association) developed. This article therefore also showcases this productive partnership, in celebration of the IUCr's 75 year anniversary and the recent inclusion of AfCA as a Regional Associate of the IUCr.




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Crystal structure of the sodium salt of mesotrione: a triketone herbicide

The crystal structure of the sodium salt of mesotrione, namely, catena-poly[[sodium-μ3-2-[(4-methane­sulfonyl-2-nitro­phen­yl)carbon­yl]-3-oxo­cyclo­hex-1-en-1-olato] ethanol monosolvate], {[Na(C14H12NO7S)]C2H5OH}n, is described. The X-ray structural analysis results reveal that the coordination sphere is established by two chelating O atoms, the O atom of the coordinated ethanol mol­ecule, and an O atom from the methyl­sulfonyl group of a neighboring mol­ecule. Simultaneously, an O atom of the cyclo­hexane fragment serves as a bridge to a neighboring sodium ion, forming a flat Na–O–Na–O quadrangle, thereby forming a mono-periodic polymer. The structure displays O—H⋯O hydrogen bonds and C—H⋯O short contacts. Thermogravimetric analysis (TGA) data indicate that the sodium salt of mesotrione decomposes in four stages.




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Structural determination of oleanane-28,13β-olide and taraxerane-28,14β-olide fluoro­lactonization products from the reaction of oleanolic acid with SelectfluorTM

The X-ray crystal structure data of 12-α-fluoro-3β-hy­droxy­olean-28,13β-olide methanol hemisolvate, 2C30H47FO3·CH3OH, (1), and 12-α-fluoro-3β-hy­droxy­taraxer-28,14β-olide methanol hemisolvate, 2C30H47FO3·CH3OH, (2), are described. The fluoro­lactonization of oleanolic acid using SelectfluorTM yielded a mixture of the six-membered δ-lactone (1) and the unusual seven-membered γ-lactone (2) following a 1,2-shift of methyl C-27 from C-14 to C-13.




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Crystal structure and Hirshfeld surface analysis of bis­(benzoyl­acetonato)(ethanol)dioxidouranium(VI)

A new uranium metal–organic complex salt, [U(C10H9O2)2O2(C2H6O)], with benzoyl acetone, namely, bis­(benzoyl­acetonato)(ethanol)dioxidouranium(VI), was synthesized. The compound has monoclinic P21/n symmetry. The geometry of the seven-coordinate U atom is penta­gonal bipyramidal, with the uranyl oxygen atoms in apical positions. In the complex, the ligands bind to the metal through oxygen atoms. Additional weak O—H⋯O contacts between the cations and anions consolidate the three-dimensional arrangement of the structure. On the Hirshfeld surface, the largest contributions come from the short contacts such as van der Waals forces, including H⋯H, O⋯H and C⋯H. Inter­actions including C⋯C and O⋯C contacts were also observed; however, their contribution to the overall cohesion of the crystal structure is minor. A packing analysis was performed to check the strength of the crystal packing.




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Five-analyzer Johann spectrometer for hard X-ray photon-in/photon-out spectroscopy at the Inner Shell Spectroscopy beamline at NSLS-II: design, alignment and data acquisition

Here, a recently commissioned five-analyzer Johann spectrometer at the Inner Shell Spectroscopy beamline (8-ID) at the National Synchrotron Light Source II (NSLS-II) is presented. Designed for hard X-ray photon-in/photon-out spectroscopy, the spectrometer achieves a resolution in the 0.5–2 eV range, depending on the element and/or emission line, providing detailed insights into the local electronic and geometric structure of materials. It serves a diverse user community, including fields such as physical, chemical, biological, environmental and materials sciences. This article details the mechanical design, alignment procedures and data-acquisition scheme of the spectrometer, with a particular focus on the continuous asynchronous data-acquisition approach that significantly enhances experimental efficiency.




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A general Bayesian algorithm for the autonomous alignment of beamlines

Autonomous methods to align beamlines can decrease the amount of time spent on diagnostics, and also uncover better global optima leading to better beam quality. The alignment of these beamlines is a high-dimensional expensive-to-sample optimization problem involving the simultaneous treatment of many optical elements with correlated and nonlinear dynamics. Bayesian optimization is a strategy of efficient global optimization that has proved successful in similar regimes in a wide variety of beamline alignment applications, though it has typically been implemented for particular beamlines and optimization tasks. In this paper, we present a basic formulation of Bayesian inference and Gaussian process models as they relate to multi-objective Bayesian optimization, as well as the practical challenges presented by beamline alignment. We show that the same general implementation of Bayesian optimization with special consideration for beamline alignment can quickly learn the dynamics of particular beamlines in an online fashion through hyperparameter fitting with no prior information. We present the implementation of a concise software framework for beamline alignment and test it on four different optimization problems for experiments on X-ray beamlines at the National Synchrotron Light Source II and the Advanced Light Source, and an electron beam at the Accelerator Test Facility, along with benchmarking on a simulated digital twin. We discuss new applications of the framework, and the potential for a unified approach to beamline alignment at synchrotron facilities.