mini Mapping present-futures with young people: Black queer volleyball spaces in Santo Domingo, Dominican Republic. By ezproxy.scu.edu.au Published On :: Thu, 01 Jun 2023 00:00:00 -0400 Children's Geographies; 06/01/2023(AN 164286261); ISSN: 14733285Academic Search Premier Full Article DOMINICAN Republic SANTO Domingo (Dominican Republic) BLACK youth YOUNG adults LGBTQ+ people VOLLEYBALL PUBLIC spaces INFRASTRUCTURE (Economics)
mini Use of Linked Administrative Adult Social Care Data for Research: A Scoping Review of Existing UK Studies By ifp.nyu.edu Published On :: Sun, 27 Oct 2024 05:58:24 +0000 Abstract Administrative data provide unique coverage of populations using care and the use of new datasets and advancing digital technologies only contribute to this growing area. There are ongoing limitations in the linkage of administrative datasets, which for adult social care have been exacerbated by inconsistent coding and varied IT systems. The aim of this […] The post Use of Linked Administrative Adult Social Care Data for Research: A Scoping Review of Existing UK Studies was curated by information for practice. Full Article Meta-analyses - Systematic Reviews
mini Clinical, Quality of Life, and Health Care Utilization Outcomes of Switching the Administration Route of Antipsychotic Medications Among People With Schizophrenia Spectrum Disorder: A Systematic Review and Meta-Analysis By ifp.nyu.edu Published On :: Mon, 04 Nov 2024 17:34:51 +0000 Journal of the American Psychiatric Nurses Association, Ahead of Print. Background:Using long-acting injectable (LAI) antipsychotic medications can improve the outcomes of patients with schizophrenia, such as reducing symptom severity and hospitalization risk. However, the outcomes of switching from oral to LAI antipsychotic medications are unclear.Aims:The purpose of this review is to provide a summary of […] The post Clinical, Quality of Life, and Health Care Utilization Outcomes of Switching the Administration Route of Antipsychotic Medications Among People With Schizophrenia Spectrum Disorder: A Systematic Review and Meta-Analysis was curated by information for practice. Full Article Meta-analyses - Systematic Reviews
mini Administration for Children and Families (ACF): Data Strategy By ifp.nyu.edu Published On :: Mon, 07 Oct 2024 13:19:04 +0000 The post Administration for Children and Families (ACF): Data Strategy was curated by information for practice. Full Article Video
mini Administration for Children and Families (ACF): Tribal Child Support Program Overview By ifp.nyu.edu Published On :: Tue, 08 Oct 2024 14:21:31 +0000 The post Administration for Children and Families (ACF): Tribal Child Support Program Overview was curated by information for practice. Full Article Video
mini Family caregivers’ administration of medications at the end-of-life in China: a qualitative study By ifp.nyu.edu Published On :: Tue, 05 Nov 2024 04:43:13 +0000 Effective medication management is crucial for ensuring timely pain and symptom control at the end of life. Dying in pain is a major concern for patients, yet some find less effective pain control at home. Fam… Read the full article › The post Family caregivers’ administration of medications at the end-of-life in China: a qualitative study was curated by information for practice. Full Article Open Access Journal Articles
mini Examining Clinical Research Participation for Substance Abuse Disorder Patient By ifp.nyu.edu Published On :: Thu, 24 Oct 2024 01:11:36 +0000 The post Examining Clinical Research Participation for Substance Abuse Disorder Patient was curated by information for practice. Full Article Clinical Trials
mini Population-Level Administrative Data: A Resource to Advance Psychological Science By ifp.nyu.edu Published On :: Mon, 04 Nov 2024 18:33:17 +0000 Current Directions in Psychological Science, Ahead of Print. Population-level administrative data—data on individuals’ interactions with administrative systems, such as health-care, social-welfare, criminal-justice, and education systems—are a fruitful resource for research into behavior, development, and well-being. However, administrative data are underutilized in psychological science. Here, we review advantages of population-level administrative data for psychological research and […] The post Population-Level Administrative Data: A Resource to Advance Psychological Science was curated by information for practice. Full Article Journal Article Abstracts
mini A Comparison of Perspectives of Inmates vs. Staff in Determining Critical Content for Occupational Therapy Transitional Programming with Female Inmates By ifp.nyu.edu Published On :: Mon, 04 Nov 2024 20:34:05 +0000 Volume 34, Issue 5, September-October 2024, Page 323-347. Read the full article › The post A Comparison of Perspectives of Inmates vs. Staff in Determining Critical Content for Occupational Therapy Transitional Programming with Female Inmates was curated by information for practice. Full Article Journal Article Abstracts
mini Examining the reciprocal associations between symptoms of depression and anxiety and contact with the criminal justice system By ifp.nyu.edu Published On :: Tue, 05 Nov 2024 11:02:11 +0000 Abstract Background Taken together, prior publications on the association between symptoms of depression and anxiety and contact with the criminal justice system (CJS) suggest a bi-directional relationship, but all the studies only focus on one direction in this relationship. Aims To examine, in longitudinally collected data, period-specific within-individual change in anxiety and depression measures preceding […] The post Examining the reciprocal associations between symptoms of depression and anxiety and contact with the criminal justice system was curated by information for practice. Full Article Journal Article Abstracts
mini How will the Trump administration affect efforts to fight global pandemics? By www.npr.org Published On :: Wed, 13 Nov 2024 04:08:27 -0500 Global pandemic treaty negotiators are hashing out cooperation plans this week and considering rushing the process out of fear that the Trump administration would pull the U.S. out of negotiations. Full Article
mini Basic Black Live: Looking Ahead to the Second Obama Administration By www.wgbh.org Published On :: Sat, 26 Jan 2013 00:00:00 EST January 25, 2013 President Obama officially began his second term of office on January 20th. In his inaugural address to the nation the following day, his focus was on the strengths and promises of America. In this Basic Black conversation, we explore the challenges, the goals, and the demands for the second Obama administration. Our panel this week: - Callie Crossley, host and moderator, Boston Public Radio, WGBH - Kim McLarin, assistant professor of writing, literature and publishing, Emerson College - Phillip Martin, senior reporter, 89.7 WGBH Radio - Peniel Joseph, professor of history, Tufts University - Robert Fortes, Republican strategist and political consultant Photo: Supreme Court Chief Justice John Roberts administers the oath of office to President Barack Obama during the inaugural swearing-in ceremony at the U.S. Capitol in Washington, D.C., Jan. 21, 2013. (Official White House Photo by Sonya N. Hebert) Full Article
mini Dominick Argento, Pulitzer Prize-winning composer, dead at 91 By minnesota.publicradio.orghttps Published On :: Thu, 21 Feb 2019 12:40:07 -0600 Pulitzer Prize-winning composer Dominick Argento died Wednesday. He was 91. Known for his eclectic range of work, he composed operas such as "Casanova's Homecoming", "The Dream of Valentino" and "Miss Havisham's Fire." Full Article
mini Lizzo on feminism, self-love and bringing 'hallelujah moments' to stage By minnesota.publicradio.orghttps Published On :: Thu, 23 May 2019 13:25:26 -0500 The flute-playing pop star celebrates self-acceptance on her latest album, Cuz I Love You. "About 10 years ago, I made the decision that I just wanted to be happy with my body," she says. Full Article
mini Trump names Stephen Miller to be deputy chief of policy in new administration By www.mprnews.org Published On :: Mon, 11 Nov 2024 17:05:00 +0000 Donald Trump is naming longtime adviser Stephen Miller, an immigration hard-liner, to be the deputy chief of policy in his new administration. The announcement was first reported by CNN on Monday. Full Article
mini Trump election could reopen path for mining near Boundary Waters By www.mprnews.org Published On :: Tue, 12 Nov 2024 10:00:00 +0000 President-elect Donald Trump has promised to reverse the Biden administration’s actions blocking copper-nickel mining near the Boundary Waters. But there is a lot that would need to happen before any mine could open. Full Article
mini Christian Alliance for Orphans celebrates 20 years in ministry By www.christianpost.com Published On :: Mon, 21 Oct 2024 00:00:52 -0400 Christian Alliance for Orphans celebrated 20 years of ministry at its annual summit where 2,400 supporters from 46 countries came together at Brentwood Baptist Church in Nashville, Tennessee. Full Article
mini Deputy Defence Minister Timur Ivanon arrested on charges of large bribery By english.pravda.ru Published On :: Wed, 24 Apr 2024 14:02:00 +0300 Timur Ivanov, Russian Deputy Defence Minister, was arrested on April 23 in the case of bribery. He will remain in custody before June 2024. A Moscow court sent Deputy Defence Minister Timur Ivanov to a pre-trial detention centre. He was arrested for two months, until June 23. Ivanov was charged under Part 6 of Art. 290 of the Criminal Code (receiving a bribe on an especially large scale). According to investigators, Ivanov entered into a "criminal conspiracy with third parties to commit a crime and received a large bribe in the form of property services provided during contracting and subcontracting works for the needs of the Defence Ministry.” Full Article Russia
mini Putin proposes new Defence Minister amid notorious arrest of Shoigu's deputy By english.pravda.ru Published On :: Mon, 13 May 2024 14:04:00 +0300 Andrei Belousov, who held the position of First Deputy Head of the Cabinet of Ministers, will now become Russia's new Defence Minister. The Federation Council will discuss his candidacy on May 13 and 14. Kremlin spokesman Dmitry Peskov said that it was important to integrate the economy of the power bloc into the country's economy so that it meets the dynamics of the current moment. "The one who is more open to innovation wins on the battlefield," Peskov said. "The Ministry of Defence must be absolutely open to innovation, to all advanced ideas the purpose of economic competitiveness. Apparently, this is why the president picked the candidacy of Andrei Removich Belousov," he noted. Full Article Russia
mini Putin cracks down on Defence Ministry after bribery scandal with Shoigu's deputy By english.pravda.ru Published On :: Mon, 13 May 2024 16:01:00 +0300 By nominating a civilian such as Andrei Belousov for the post of the Defence Minister, Vladimir Putin continued the tradition that had developed during his service. General Sergei Ivanov was the first minister appointed by Putin. Ivanov came from intelligence (he headed the military department from 2001 to 2007), and was replaced (under President Dmitry Medvedev) by the former chief tax officer Anatoly Serdyukov. Serdyukov served at the post for five years. Sergei Shoigu, a civil engineer by training and the founder of the Ministry of Emergency Situations, chaired the Defence Ministry in 2012 (he left the post of the Moscow region governor). Andrei Belousov is 65 years old. He has been associated with economics all his life. After graduating from the Department of Economics of the Moscow State University, he took up scientific activities — first at the Central Institute of Economics and Mathematics of the USSR Academy of Sciences, then at the Institute of Economics and Forecasting of Scientific and Technological Progress of the USSR Academy of Sciences. In 1990-2006, he served as a senior researcher and head of a laboratory at the Institute of Economic Forecasting of the Russian Academy of Sciences. Full Article Russia
mini Foreign Ministry official explains why Russia had to sell Alaska to US By english.pravda.ru Published On :: Mon, 21 May 2018 18:50:00 +0300 Russia, when signing documents for the sale of Alaska to the United States, was realizing her objective benefit, deputy director of the Historical and Documentary Department of the Russian Foreign Ministry, Doctor of Historical Sciences Artyom Rudnitsky said.According to him, the deal between Russia and the United States on selling Alaska was fair and aligning with international norms of that time.Rudnitsky noted during the Russian-American international conference "Dialogue of Fort Ross - Meeting in Russia" that the sale of Alaska by Russia was due to several reasons, including the fact that the colony was unprofitable. There were objective difficulties in protecting it in the event of an attack, he added. At the same time, Russia expected to make $5 million from the sale, but managed to obtain more $7 million in the end, which was considered a great achievement for that historical period. Moreover, the Alaska deal became an expression of relations between Russia and the United States. Strengthening relations with the US was important for the Russian Empire, which was in international isolation after the lost Crimean War."Do you think Russia would concede part of its territory to a country that was aggressive and hostile agains it? They treated the Americans well back then and believed that this would in no way infringe upon Russia's interests," concluded Rudnitsky. Also read: If US wants Crimea returned to Ukraine, Russi wants Alaska backPravda.Ru Read article in Russian Full Article History traditions
mini DPRK Foreign Minister assures Pyongyang will be helping Moscow until victory day By english.pravda.ru Published On :: Fri, 01 Nov 2024 15:43:00 +0300 DPRK Foreign Minister Choe Son-hui arrived in Vladivostok, Russia, on October 29. From Vladivostok, the minister traveled to Moscow, a message posted on the official Telegram channel of the Russian Embassy in North Korea said. The North Korean Foreign Minister is visiting Russia as part of the strategic dialogue that took place between the leaders of the two countries in the June 2024 summit. Choe Son-hui's visit to Moscow is taking place in the midst of discussions in the West about the alleged involvement of DPRK military personnel in combat operations in Ukraine. On October 18, South Korean intelligence said that 1,500 North Korean soldiers were already at Russian training grounds in the Far East, from where they would be sent to Ukraine. The intelligence service later reported a larger number — 3,000 soldiers. Full Article World
mini Slovak Prime Minister appears on Russian TV accusing NATO and EU of supporting Ukraine By english.pravda.ru Published On :: Thu, 31 Oct 2024 14:29:00 +0300 Robert Fico became the first NATO leader to have given an interview to Russian media after the start of the special military operation and he made some very bold statements in it. The West fails to bring Russia to its knees Slovak Prime Minister Robert Fico gave an interview to Russian journalist Olga Skabeeva on the state-run Rossiya-1 TV channel. He started his interview with a Slovak proverb that says that "no one on their knees can be considered defeated — perhaps they are just tying their shoelaces." Full Article World
mini Expert Available: Potential International Trade Changes Under New Trump Administration By www.newswise.com Published On :: Fri, 08 Nov 2024 11:45:22 EST University of Georgia School of Law Assistant Professor of Law & Faculty Co-Director of the Dean Rusk International Law Center Desiree LeClercq, who specializes in international labor law and worked in the Office of the U.S. Trade Representative during the previous Trump administration, as well as in the International Labor Organization and at the National Labor Relations Board, is available for further commentary at desireelc@uga.edu. Full Article
mini Drug Safety Ministry: ADHD Pills Marketed to Students Preparing for CSAT By world.kbs.co.kr Published On :: Mon, 04 Nov 2024 16:41:47 +0900 [Domestic] : Ahead of the College Scholastic Ability Test(CSAT), several companies have been caught illegally distributing medications to treat attention deficit hyperactivity disorder(ADHD) and posting misleading advertisements for the pills. According to the Ministry of Food and Drug Safety on Monday, an intensive ...[more...] Full Article Domestic
mini Cyberattack Disrupts Defense Ministry Website By world.kbs.co.kr Published On :: Wed, 06 Nov 2024 10:37:08 +0900 [Domestic] : The defense ministry’s website fell victim to a cyberattack Tuesday, prompting the military to take response measures. According to the ministry on Wednesday, the distributed denial-of-service(DDoS) attack struck at about 5:30 p.m. the previous day, adding that the website is currently back ...[more...] Full Article Domestic
mini Oceans Minister Holds Emergency Meeting on Sunken Fishing Boat By world.kbs.co.kr Published On :: Fri, 08 Nov 2024 18:56:00 +0900 [Domestic] : Minister of Oceans and Fisheries Kang Do-hyung has held an emergency meeting to check up the search of 12 missing crew members of a fishing boat that sank in waters off Jeju Island on Friday morning. Officials from the interior, defense ministries, the Korea Coast Guard and governments of Busan and Jeju ...[more...] Full Article Domestic
mini Transport Ministry Restricts Aircraft Operation during College Entrance Exam By world.kbs.co.kr Published On :: Tue, 12 Nov 2024 12:05:20 +0900 [Domestic] : The transport ministry will restrict the takeoff and landing of all aircraft for about half an hour on Thursday to prevent distractions during the English listening portion of the annual College Scholastic Ability Test. The ministry said Tuesday that the restrictions will be in place from 1:05 p.m. to 1:40 ...[more...] Full Article Domestic
mini Prime Minister to Cabinet: Prepare for US Policy Changes under Trump By world.kbs.co.kr Published On :: Tue, 12 Nov 2024 10:40:55 +0900 [Politics] : Prime Minister Han Duck-soo has ordered officials to prepare for potential policy changes in the United States upon Donald Trump’s reelection. The prime minister issued the instruction Tuesday during a Cabinet meeting, saying the U.S. is expected to seek “considerable policy shifts” in foreign ...[more...] Full Article Politics
mini Ministry: N. Korea Has Various Objectives in Test-Firing ICBM ahead of US Elecction By world.kbs.co.kr Published On :: Fri, 01 Nov 2024 14:50:54 +0900 [Inter-Korea] : South Korea's ministry in charge of inter-Korean affairs assessed that North Korea likely has various objectives behind its test launch of a new intercontinental ballistic missile(ICBM) days ahead of the U.S. presidential election. At a press briefing on Friday, unification ministry deputy ...[more...] Full Article Inter-Korea
mini Sports Ministry: Badminton Korea Association Leader Could Face Embezzlement Charges By world.kbs.co.kr Published On :: Tue, 10 Sep 2024 15:29:07 +0900 [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 ...[more...] Full Article Sports
mini KFA Rebuts Findings of Sports Ministry's Probe on Hiring of Nat'l Football Coach By world.kbs.co.kr Published On :: Wed, 02 Oct 2024 17:53:21 +0900 [Sports] : The Korea Football Association(KFA) has rebutted the findings of a sports ministry investigation that found the association violated its own rules when it hired Hong Myung-bo as head coach of the national football team. In a statement released Wednesday, shortly after the ministry released the interim ...[more...] Full Article Sports
mini Culture Minister: Won't Allow KFA President' Chung Mong-gyu's 4th Term By world.kbs.co.kr Published On :: Mon, 07 Oct 2024 18:10:31 +0900 [Sports] : Culture minister Yu In-chon has reiterated that he will not approve the fourth term of Korea Football Association(KFA) President Chung Mong-gyu. Yu revealed the stance on Monday during the parliamentary culture committee’s inspection of government agencies when asked whether he will grant approval ...[more...] Full Article Sports
mini Foreign Ministry: N. Korea-US Dialogue Must Reflect S. Korea’s Position By world.kbs.co.kr Published On :: Tue, 12 Nov 2024 17:25:26 +0900 [Politics] : A senior foreign ministry official says if the incoming Donald Trump administration were to engage in dialogue with North Korea, it would be crucial to reflect South Korea’s position in the process of realizing the talks. The official made the remarks to reporters in Seoul on Tuesday, saying ...[more...] Full Article Politics
mini Gemini vs. Capricorn: What Makes Their Relationship Unique? By entertainment.howstuffworks.com Published On :: Tue, 12 Nov 2024 05:15:03 -0500 Is Gemini and Capricorn compatibility strong? Discover the unique dynamics, strengths, and challenges that Gemini and Capricorn face in love, friendship, and beyond. Full Article
mini Finance Minister: Trump’s Reelection Likely to Have ‘Considerable’ Impact on S. Korean Economy By world.kbs.co.kr Published On :: Thu, 07 Nov 2024 09:43:01 +0900 [Economy] : Finance Minister Choi Sang-mok said Thursday that he expects Donald Trump’s reelection to have a “considerable” impact on the South Korean economy. The minister made the remarks Wednesday in Seoul during a meeting of ministers concerned with the economy, the morning after Donald Trump won the U.S. ...[more...] Full Article Economy
mini Minister Meets with Auto, Battery Industry Representatives ahead of Trump’s Second Term By world.kbs.co.kr Published On :: Wed, 13 Nov 2024 16:54:38 +0900 [Economy] : The minister of trade, industry and energy has met with automotive and battery industry representatives ahead of Donald Trump’s return to power in the U.S. The ministry announced on Wednesday that the meeting took place earlier in the day, with participants highlighting the importance of South Korean ...[more...] Full Article Economy
mini Deep-sea mining evidence review published - British Geological Survey By news.google.com Published On :: Mon, 31 Oct 2022 07:00:00 GMT Deep-sea mining evidence review published British Geological Survey Full Article
mini Did you feel the earth move? Mini-earthquake recorded on Shropshire/Staffordshire border - Express & Star By news.google.com Published On :: Mon, 14 Oct 2024 07:00:00 GMT Did you feel the earth move? Mini-earthquake recorded on Shropshire/Staffordshire border Express & Star Full Article
mini Mining sand sustainably in The Gambia - British Geological Survey By news.google.com Published On :: Tue, 17 Sep 2024 07:00:00 GMT Mining sand sustainably in The Gambia British Geological Survey Full Article
mini Heitt Mjölnir: a heated miniature triaxial apparatus for 4D synchrotron microtomography By journals.iucr.org Published On :: 2024-01-01 Third- and fourth-generation synchrotron light sources with high fluxes and beam energies enable the use of innovative X-ray translucent experimental apparatus. These experimental devices access geologically relevant conditions whilst enabling in situ characterization using the spatial and temporal resolutions accessible at imaging beamlines. Here, Heitt Mjölnir is introduced, a heated miniature triaxial rig based on the design of Mjölnir, but covering a wider temperature range and larger sample volume at similar pressure capacities. This device is designed to investigate coupled thermal, chemical, hydraulic and mechanical processes from grain to centimetre scales using cylindrical samples of 10 mm × 20 mm (diameter × length). Heitt Mjölnir can simultaneously reach confining (hydraulic) pressures of 30 MPa and 500 MPa of axial stress with independently controlled sample pore fluid pressure < 30 MPa. This internally heated apparatus operates to temperatures up to 573 K with a minimal vertical thermal gradient in the sample of <0.3 K mm−1. This new apparatus has been deployed in operando studies at the TOMCAT (Swiss Light Source), I12 JEEP (Diamond Light Source) and PSICHÉ (Synchrotron SOLEIL) beamlines for 4D X-ray microtomography with scan intervals of a few minutes. Heitt Mjölnir is portable and modular, allowing a wide range of 4D characterizations of low-grade metamorphism and deformational processes. It enables spatially and temporally resolved fluid–rock interaction studies at conditions of crustal reservoirs and is suitable for characterization of material properties in geothermal, carbonation or subsurface gas storage applications. Technical drawings and an operation guide are included in this publication. Full Article text
mini Bis(2-hydroxy-2,3-dihydro-1H-inden-1-aminium) tetrachloridopalladate(II) hemihydrate By journals.iucr.org Published On :: 2024-01-26 A new square-planar palladium complex salt hydrate, (C9H12NO)2[PdCl4]·0.5H2O, has been characterized. The asymmetric unit of the complex salt comprises two [PdCl4]2− dianions, four 2-hydroxy-2,3-dihydro-1H-inden-1-aminium cations, each derived from (1R,2S)-(+)-1-aminoindan-2-ol, and one water molecule of crystallization. In the crystal, a two-dimensional layer parallel to (001) features a number of O—H⋯O, N—H⋯O, O—H⋯Cl and N—H⋯Cl hydrogen bonds. Full Article text
mini 1-Ethoxy-3-[4-(ethoxycarbonyl)phenyl]-3-hydroxy-1-oxopropan-2-aminium chloride By journals.iucr.org Published On :: 2024-10-31 The title compound, C14H20NO5+·Cl−, was prepared as a racemate of R,R- and S,S-enantiomers by reduction of the corresponding hydroxyiminoketone. In the crystal, layers are formed via hydrogen bridges of four ammonium groups to chloride ions; these lamellae are connected via interdigitated benzoic ester groups. Full Article text
mini Many locks to one key: N-acetylneuraminic acid binding to proteins By journals.iucr.org Published On :: 2024-07-04 Sialic acids play crucial roles in cell surface glycans of both eukaryotic and prokaryotic organisms, mediating various biological processes, including cell–cell interactions, development, immune response, oncogenesis and host–pathogen interactions. This review focuses on the β-anomeric form of N-acetylneuraminic acid (Neu5Ac), particularly its binding affinity towards various proteins, as elucidated by solved protein structures. Specifically, we delve into the binding mechanisms of Neu5Ac to proteins involved in sequestering and transporting Neu5Ac in Gram-negative bacteria, with implications for drug design targeting these proteins as antimicrobial agents. Unlike the initial assumptions, structural analyses revealed significant variability in the Neu5Ac binding pockets among proteins, indicating diverse evolutionary origins and binding modes. By comparing these findings with existing structures from other systems, we can effectively highlight the intricate relationship between protein structure and Neu5Ac recognition, emphasizing the need for tailored drug design strategies to inhibit Neu5Ac-binding proteins across bacterial species. Full Article text
mini Determining magnetic structures in GSAS-II using the Bilbao Crystallographic Server tool k-SUBGROUPSMAG By journals.iucr.org Published On :: 2024-09-20 The embedded call to a special version of the web-based Bilbao Crystallographic Server tool k-SUBGROUPSMAG from within GSAS-II to form a list of all possible commensurate magnetic subgroups of a parent magnetic grey group is described. It facilitates the selection and refinement of the best commensurate magnetic structure model by having all the analysis tools including Rietveld refinement in one place as part of GSAS-II. It also provides the chosen magnetic space group as one of the 1421 possible standard Belov–Neronova–Smirnova forms or equivalent non-standard versions. Full Article text
mini Bis(2-chloro-N,N-dimethylethan-1-aminium) tetrachloridocobaltate(II) and tetrachloridozincate(II) By journals.iucr.org Published On :: 2024-05-10 The few examples of structures containing the 2-chloro-N,N-dimethylethan-1-aminium or 3-chloro-N,N-dimethylpropan-1-aminium cations show a competition between gauche and anti conformations for the chloroalkyl chain. To explore further the conformational landscape of these cations, and their possible use as molecular switches, the title salts, (C4H11ClN)2[CoCl4] and (C4H11ClN)2[ZnCl4], were prepared and structurally characterized. Details of both structures are in close agreement. The inorganic complex exhibits a slightly flattened tetrahedral geometry that likely arises from bifurcated N—H hydrogen bonds from the organic cations. The alkyl chain of the cation is disordered between gauche and anti conformations with the gauche conformation occupancy refined to 0.707 (2) for the cobaltate. The gauche conformation places the terminal Cl atom at a tetrahedral face of the inorganic complex with a contact distance of 3.7576 (9) Å to the Co2+ center. The anti conformation places the terminal Cl atom at a contact distance to a neighboring anti conformation terminal Cl atom that is ∼1 Å less than the sum of the van der Waals radii. Thus, if the anti conformation is present at a site, then the nearest neighbor must be gauche. DFT geometry optimizations indicate the gauche conformation is more stable in vacuo by 0.226 eV, which reduces to 0.0584 eV when calculated in a uniform dielectric. DFT geometry optimizations for the unprotonated molecule indicate the anti conformation is stabilized by 0.0428 eV in vacuo, with no strongly preferred conformation in uniform dielectric, to provide support to the notion that this cation could function as a molecular switch via deprotonation. Full Article text
mini Crystal structure of propane-1,3-diaminium squarate dihydrate By journals.iucr.org Published On :: 2024-08-30 Propane-1,3-diaminium squarate dihydrate, C3H12N22+·C4O42−·2H2O, results from the proton-transfer reaction of propane-1,3-diamine with squaric acid and subsequent crystallization from aqueous medium. The title compound crystallizes in the tetragonal crystal system (space group P4bm) with Z = 2. The squarate dianion belongs to the point group D4h and contains a crystallographic fourfold axis. The propane-1,3-diaminium dication exhibits a C2v-symmetric all-anti conformation and resides on a special position with mm2 site symmetry. The orientation of the propane-1,3-diaminium ions makes the crystal structure polar in the c-axis direction. The solid-state supramolecular structure features a triperiodic network of strong hydrogen bonds of the N—H⋯O and O—H⋯O types. Full Article text
mini Synthesis, crystal structure, and Hirshfeld surface analysis of 1,3-dihydro-2H-benzimidazol-2-iminium 3-carboxy-4-hydroxybenzenesulfonate By journals.iucr.org Published On :: 2024-09-06 The asymmetric unit of the title salt, C7H8N3+·C7H5O6S−, comprises two 1,3-dihydro-2H-benzimidazol-2-iminium cations and two 2-hydroxy-5-sulfobenzoate anions (Z' = 2). In the crystal, the molecules interact through N—H⋯O, O—H⋯O hydrogen bonds and C—O⋯π contacts. The hydrogen-bonding interactions lead to the formation of layers parallel to (overline{1}01). Hirshfeld surface analysis revealed that H⋯H contacts contribute to most of the crystal packing with 38.9%, followed by H⋯O contacts with 36.2%. Full Article text
mini A simple protocol for determining the zone axis direction from selected-area electron diffraction spot patterns of cubic materials By journals.iucr.org Published On :: 2024-06-18 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. Full Article text
mini Determining pair distribution functions of thin films using laboratory-based X-ray sources By journals.iucr.org Published On :: 2024-08-30 This article demonstrates the feasibility of obtaining accurate pair distribution functions of thin amorphous films down to 80 nm, using modern laboratory-based X-ray sources. The pair distribution functions are obtained using a single diffraction scan without the requirement of additional scans of the substrate or of the air. By using a crystalline substrate combined with an oblique scattering geometry, most of the Bragg scattering of the substrate is avoided, rendering the substrate Compton scattering the primary contribution. By utilizing a discriminating energy filter, available in the latest generation of modern detectors, it is demonstrated that the Compton intensity can further be reduced to negligible levels at higher wavevector values. Scattering from the sample holder and the air is minimized by the systematic selection of pixels in the detector image based on the projected detection footprint of the sample and the use of a 3D-printed sample holder. Finally, X-ray optical effects in the absorption factors and the ratios between the Compton intensity of the substrate and film are taken into account by using a theoretical tool that simulates the electric field inside the film and the substrate, which aids in planning both the sample design and the measurement protocol. Full Article text