cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Regiospecific synthesis of N,N’-disubstituted-2-imino-hydantoins derived from cyanamides
Creators: name: Khalaf, Mai M.
name: El-Lateef, Hany M. Abd
name: Moustafa, Amr H.
name: Awad, Mohamed F.
name: Gouda, M.
name: Ahmed, Doaa H.
Publisher: name: Taylor & Francis
Year: 2024
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Microbiology
subject: FOS: Biological sciences
subject: Chemical Sciences not elsewhere classified
subject: Inorganic Chemistry
subject: FOS: Chemical sciences
subject: Plant Biology

description: The present work developed a new simple method and convenient procedure to synthesize a novel series of 1-(4,6-dimethylpyrimidin-2-yl)-2-imino-3-arylimidazolidin-4-ones 3. The sodium salt of N-(4,6-dimethylpyrimidin-2-yl)cyanamide (1) was selected to use as the starting material to undergo intramolecular cyclization reaction with 2-chloro-N-arylacetamides in boiling acetone for about 12–18 hours. According to this new synthetic route, eleven imino-hydantoins were readily separated in moderate to excellent yields as single products after cooling the reaction without any purification technique. Also, on the basis of the experimental results and analysis data (IR, NMR, elemental analyses, and GC-MS spectra), the reaction is regiospecific as well as a plausible mechanism to form the target products 3 instead of di-imino-oxazolidines 4 and/or 2-imino-2,3-dihydro-oxazoles 5 is proposed. A successful synthesis of novel series of N,N’-disubstituted-2-iminohydantoins.There are regiospecifity for the formation of 2-iminohydantoins instead of di-imino-oxazolidines and/or 2-imino-2,3-dihydro-oxazoles.The structures of title compounds were established by using IR, NMR, elemental analyses and GC-MS spectral data. A successful synthesis of novel series of N,N’-disubstituted-2-iminohydantoins. There are regiospecifity for the formation of 2-iminohydantoins instead of di-imino-oxazolidines and/or 2-imino-2,3-dihydro-oxazoles. The structures of title compounds were established by using IR, NMR, elemental analyses and GC-MS spectral data.
On the Brink of Decomposition: Controlled Oxidation of a Substituted Arsanylborane as a Way to Labile Group 13‐15‐16 Compounds
Creators: name: Lehnfeld, Felix
name: Seidl, Michael
name: Timoshkin, Alexey Y.
name: Scheer, Manfred
Publisher: name: Universität Regensburg
Year: 2023
Subjects: subject: Arsenic·Boron·Hydroarsination·Maingroup·Oxidation
subject: 540 Chemie

description: The reactivity of the organic-substituted arsanylborane tBuAsHBH2NMe3 (1) towards different elemental chalcogenes as well as organic oxidants such as O-NMe3, Me3Si−O−O-SiMe3, MesCNO and cyclohexenesulfide is reported. By the reaction of 1 with grey selenium, the selenium oxidation product tBuAs(Se)HBH2NMe3 (2) was obtained. For the oxidation with sulfur, the two products tBuAs(S)HBH2NMe3 (3 a) and tBuAs(S)SHBH2NMe3 (3 b) could be isolated as oils. The structural characterization of As(tBuAs(S)SHBH2NMe3)3 (4) as well as corresponding DFT computations allow insights into the decomposition behavior of 3 a and 3 b in solution. For the reaction of MesCNO with 1, the formation of an unusual As−H activation product Mes-C(NOH)-AstBu-BH2NMe3 (5) is observed. In the reaction with Me3N−O, the first isolatable oxo-arsanylboranes tBuAs(O)HBH2NMe3 (6 a) and tBuAs(O)OHBH2NMe3 (6 b) are obtained, with 6 b also being accessible via the controlled reaction of 1 with air.
Quinoline-thiazole-1,2,3 triazole hybrids: Synthesis, antimalarial, antimicrobial activity and molecular docking studies
Creators: name: Yadav, Archna
name: Kaushik, C. P.
name: Parshad, Mahavir
name: Yadav, Priyanka
name: Yadav, Jyoti
name: Sangwan, Jyoti
Publisher: name: Taylor & Francis
Year: 2024
Subjects: subject: Biochemistry
subject: Medicine
subject: Microbiology
subject: FOS: Biological sciences
subject: Pharmacology
subject: Environmental Sciences not elsewhere classified
subject: Chemical Sciences not elsewhere classified
subject: Science Policy
subject: Sociology
subject: FOS: Sociology
subject: Biological Sciences not elsewhere classified
subject: Infectious Diseases
subject: FOS: Health sciences

description: A series of quinoline-thiazole appended 1,4-disubstituted 1,2,3-triazole were synthesized by performing Cu(I) catalyzed 1,3-dipolar cycloaddition reaction (“Click” reaction) and fully characterized by various spectral techniques like FTIR, NMR and HRMS. These compounds were evaluated for in vitro antimalarial activity against plasmodium falciparum. All the compounds (7a–7y) exhibited moderate to good activity in comparison to standard drug Quinine. Compound 7r (IC50 0.19 µg/mL) displayed appreciable activity comparable to Quinine (IC50 0.268 µg/mL). Further antimicrobial screening of the synthesized substituted triazoles were also carried out against two gram (+) bacteria (Staphylococcus aureus, Bacillus subtilis), two gram (–) bacteria (Escherichia coli, Klebsiella pneumonia) and two fungi (Candida albicans, Aspergillus niger). Results revealed that compound 7r reflected promising antimicrobial activity among the synthesized library of molecules. Molecular docking studies of broadly active antimalarial disubstituted triazoles 7m and 7r were explored in the active site of enzyme dihydroorotate dehydrogenase (DHODH) to have the probable mode of action.
Nucleophilic Attack at Pentaarsaferrocene [Cp*Fe(η5‐As5)]‐The Way to Larger Polyarsenide Ligands
Creators: name: Reichl, Stephan
name: Riesinger, Christoph
name: Scheer, Manfred
Publisher: name: Universität Regensburg
Year: 2023
Subjects: subject: Arsenic · Functionalization · Iron · Nucleophiles · Polyarsenide Units
subject: 540 Chemie

description: By the reaction of [Cp*Fe(η5-As5)] (I) (Cp*=C5Me5) with main group nucleophiles, unique functionalized products with η4-coordinated polyarsenide (Asn) units (n=5, 6, 20) are obtained. With carbon-based nucleophiles such as MeLi or KBn (Bn=CH2Ph), the anionic organo-substituted polyarsenide complexes, [Li(2.2.2-cryptand)][Cp*Fe(η4-As5Me)] (1 a) and [K(2.2.2-cryptand)][Cp*Fe{η4-As5(CH2Ph)}] (1 b), are accessible. The use of KAsPh2 leads to a selective and controlled extension of the As5 unit and the formation of the monoanionic compound [K(2.2.2-cryptand][Cp*Fe(η4-As6Ph2)] (2). When I is reacted with [M]As(SiMe3)2 (M=Li ⋅ THF; K), the formation of the largest known anionic polyarsenide unit in [M′(2.2.2-cryptand)]2[(Cp*Fe)4{μ5-η4:η4:η3:η3:η1:η1-As20}] (3) occurred (M′=Li (3 a), K (3 b)).
Electron‐Poor Acridones and Acridiniums as Super Photooxidants in Molecular Photoelectrochemistry by Unusual Mechanisms
Creators: name: Žurauskas, Jonas
name: Boháčová, Soňa
name: Wu, Shangze
name: Butera, Valeria
name: Schmid, Simon
name: Domański, Michał
name: Slanina, Tomáš
name: Barham, Joshua Philip
Publisher: name: Universität Regensburg
Year: 2023
Subjects: subject: Acridinium · Acridone · Photoelectrochemistry · Photoredox Catalysis · Preassembly
subject: 540 Chemie

description: Electron-deficient acridones and in situ generated acridinium salts are reported as potent, closed-shell photooxidants that undergo surprising mechanisms. When bridging acyclic triarylamine catalysts with a carbonyl group (acridones), this completely diverts their behavior away from open-shell, radical cationic, ‘beyond diffusion’ photocatalysis to closed-shell, neutral, diffusion-controlled photocatalysis. Brønsted acid activation of acridones dramatically increases excited state oxidation power (by +0.8 V). Upon reduction of protonated acridones, they transform to electron-deficient acridinium salts as even more potent photooxidants (*E1/2=+2.56–3.05 V vs SCE). These oxidize even electron-deficient arenes where conventional acridinium salt photooxidants have thusfar been limited to electron-rich arenes. Surprisingly, upon photoexcitation these electron-deficient acridinium salts appear to undergo two electron reductive quenching to form acridinide anions, spectroscopically-detected as their protonated forms. This new behaviour is partly enabled by a catalyst preassembly with the arene, and contrasts to conventional SET reductive quenching of acridinium salts. Critically, this study illustrates how redox active chromophoric molecules initially considered photocatalysts can transform during the reaction to catalytically active species with completely different redox and spectroscopic properties.
Synthesis and Reactivity of Hetero‐Pnictogen Diazonium Analogs Stabilized by Transition Metal Units
Creators: name: Zimmermann, Lisa
name: Riesinger, Christoph
name: Balázs, Gábor
name: Scheer, Manfred
Publisher: name: Universität Regensburg
Year: 2023
Subjects: subject: antimony · arsenic · diazonium salt · molybdenum · phosphorus
subject: 540 Chemie

description: The reactivity of the mixed dipnictogen complexes [{CpMo(CO)2}2(μ,η2 : 2-PE)] (E=P, As, Sb) towards different group 14 electrophiles is reported. The resulting library of cationic compounds [{CpMo(CO)2}2(μ,η2 : 2-EPR)]+ (R=Mes (2,4,6-C6H2Me3), CH3, CPh3, SnMe3) represents formally inorganic diazonium homologs which are stabilized by transition metal units. Modifying the steric and electronic properties of the electrophile drastically impacts the respective P−R bond lengths and is accompanied by increasing (SnMe3>CPh3>CH3) dynamic behavior in solution. In contrast to the well-studied organic analogs, the prepared compounds are stable at room temperature. The subsequent reaction of the model substrate [{CpMo(CO)2}2(μ,η2 : 2-P2Me)][OTf] ([OTf]−=[CF3SO3]−) with different N-heterocyclic carbenes (NHCs) leads to an addition at the unsubstituted P atom which is also predicted by computational methods. NMR spectroscopy confirms the formation of two isomers sync/gauche-[{CpMo(CO)2}(μ,η2 : 1-P(NHC)PMe){CpMo(CO)2}][OTf]. X-ray crystallographic characterization and additional DFT calculations shed light on the spatial arrangement as well as on the possible formation pathways of the isomers.
Copidognathus rhombognathoideus Bartsch 2006
Creators: name: Chatterjee, Tapas
name: Marshall, David J
name: Pešić, Vladimir
Publisher: name: Zenodo
Year: 2012
Subjects: Biodiversity
Taxonomy
Animalia
Arthropoda
Arachnida
Trombidiformes
Halacaridae
Copidognathus
Copidognathus rhombognathoideus

description: Copidognathus rhombognathoideus Bartsch, 2006
(Figures 7–8)
Copidognathus rhombognathoideus Bartsch, 2006a, 88–92, Figs. 21–41.
Material examined: Three ƤƤ and two 33 from algal turf growing on Rhizophora mangrove pneumatophores at Batu Marang (4°58’N, 115°1’ E), Brunei Darussalam, 16. iii. 2011, leg. T. Chatterjee & D. J. Marshall.
Brief description: Idiosomal length of females, 365–444 µm, and of males, 375–391 µm. Areolae and costae on dorsal plates with porose panel. AD with a fused (three large areolae fused) porose areola. PD with four costae, middle and paracosta joined anteriorly. Area between two middle costae about five panels wide. Pair of ds 1 in middle of AD. Setae ds2 located at anteromedial edge of OC, setae ds3-ds5 on PD. AE with three pairs of setae and a pair of ovate epimeral pores. GA with three pairs of setae in female, distance between 2nd and 3rd pair more than the distance between 1st and 2nd pair in one female (Fig. 7 B) while these distances are subequal in the other individuals. Gnathosoma, rostrum and palps short; palps extending beyond tip of rostrum. Chaetotaxy of legs: trochanters I–IV, 1-1-1-0; basifemora I-IV, 2-2-2-2; telofemora I–IV, 5-5-2-2; genua I–IV, 4-4-3-3; tibiae I–IV, 7-7-5-5; tarsi (PAS excluded) I–IV, 7-4-4-3. Telofemora III and IV lacking a ventral seta. Tibiae I–II with one long, smooth ventral seta and two thick pectinate ventromedial setae. Tibia III–IV with one thick, bipectinate ventromedial seta. Tarsus I with three dorsal setae, one solenidion, three ventral setae and two doublet eupathidia PAS. Tarsus II with three dorsal setae, one solenidion and two single eupathidia PAS. Tarsus III with four dorsal setae and one lateral PAS. Tarsus IV with three dorsal setae and one lateral PAS. Lateral claws ventrally smooth, without pecten.
Remarks: This is the first record of this species from Brunei Darussalam and outside its type locality. This species was previously described from mangroves in Singapore. Four similar species, Copidognathus balakrishnani Chatterjee, 2000, C. caloglossae Procheş, 2002, C. lutarius Bartsch, 2003 and C. rhombognathoideus Bartsch, 2006 can now be assigned to a natural group (Chatterjee 2000; Procheş 2002; Bartsch 2003, 2006a). Detailed comparisons of these species will be prepared in a future paper by the first author.
description: Published as part of Chatterjee, Tapas, Marshall, David J & Pešić, Vladimir, 2012, New records of Copidognathus mites (Acari: Halacaridae) from mangroves in Brunei Darussalam with descriptions of two new species, pp. 18-30 in Zootaxa 3269 on page 27, DOI: 10.5281/zenodo.210913
Thamnocephalidae Packard 1883
Creators: name: Cohen, Rosa Graciela
Publisher: name: Zenodo
Year: 2016
Subjects: Biodiversity
Taxonomy
Animalia
Arthropoda
Branchiopoda
Anostraca
Thamnocephalidae

description: Family Thamnocephalidae Packard, 1883
description: Published as part of Cohen, Rosa Graciela, 2016, Thamnocephalus chacosaltensis, a new species of Anostraca (Crustacea: Branchiopoda) from Salta province (Argentina) in Zootaxa 4088 (1), DOI: 10.11646/zootaxa.4088.1.3, http://zenodo.org/record/257487
Comparison of Empirical Models of Ionospheric Heating to Global Simulations
Creators: name: Bagheri, Fatemeh
name: Lopez, Ramon E.
Publisher: name: arXiv
Year: 2024
Subjects: subject: Earth and Planetary Astrophysics (astro-ph.EP)
subject: Space Physics (physics.space-ph)
subject: FOS: Physical sciences

description: Intense currents produced during geomagnetic storms dissipate energy in the ionosphere through Joule heating. This dissipation has significant space weather effects, and thus it is important to determine the ability of physics-based simulations to replicate real events quantitatively. Several empirical models estimate Joule heating based on ionospheric currents using the AE index. In this study, we select 11 magnetic storm simulations from the CCMC database and compare the integrated Joule heating in the simulations with the results of empirical models. We also use the SWMF global magnetohydrodynamic simulations for 12 storms to reproduce the correlation between the simulated AE index and simulated Joule heating. We find that the scale factors in the empirical models are half what is predicted by the SWMF simulations.
description: Published in Frontiers in Astronomy and Space Sciences
Thamnocephalus Packard 1877
Creators: name: Cohen, Rosa Graciela
Publisher: name: Zenodo
Year: 2016
Subjects: Biodiversity
Taxonomy
Animalia
Arthropoda
Branchiopoda
Anostraca
Thamnocephalidae
Thamnocephalus

description: Genus Thamnocephalus Packard, 1877
description: Published as part of Cohen, Rosa Graciela, 2016, Thamnocephalus chacosaltensis, a new species of Anostraca (Crustacea: Branchiopoda) from Salta province (Argentina) in Zootaxa 4088 (1), DOI: 10.11646/zootaxa.4088.1.3, http://zenodo.org/record/257487
A General Pathway towards NHC ⋅ GaH2(OTf) Adducts – The Key for the Synthesis of NHC‐Stabilized Cationic 13/15 Chain Compounds of Gallium
Creators: name: Szlosek, Robert
name: Seidl, Michael
name: Balázs, Gábor
name: Scheer, Manfred
Publisher: name: Universität Regensburg
Year: 2023
Subjects: subject: cationic chain compounds · 13/15 compounds · pentelyltrielanes · pnictogen · triels
subject: 540 Chemie

description: A general pathway towards NHC (NHC=N-heterocyclic carbene)-stabilized galliummonotriflates NHC ⋅ GaH2(OTf) (NHC=IDipp, 1 a; IPr2Me2, 1 b; IMes, 1 c; IDipp=1,3-bis(2,6-diisopropylphenyl)-imidazolin-2-ylidene, IPr2Me2=1,3-bis-(diisopropyl)-4,5-dimethyl-imidazolin-2-ylidene, IMes=1,3-bis(2,4,6-trimethylphenyl)-imidazolin-2-ylidene) is reported. Quantum chemical calculations give detailed insight into the underlying reaction pathway. The obtained NHC ⋅ GaH2(OTf) compounds were employed in reactions with donor-stabilized pnictogenylboranes to synthesize the elusive cationic parent 13/15/13 chain compounds [IDipp ⋅ GaH2ER2E'H2 ⋅ D][OTf] (3 a: D=IDipp, E=P, E’=B, R=H; 3 b: D=NMe3, E=P, E’=B, R=H, 3 c: D=NMe3, E=P, E’=B, R=Ph, 3 d: D=IDipp, E=P, E’=Ga, R=H). Supporting computational studies highlight the electronic features of the products.
Synthesis and characterization of ternary trielides Na7KTr4 [Tr=In or Tl] including [Tr4]8− Tetrahedra
Creators: name: Janesch, Melissa
name: Schwinghammer, Vanessa F.
name: Shenderovich, Ilya G.
name: Gärtner, Stefanie
Publisher: name: Universität Regensburg
Year: 2023
Subjects: subject: Indium · Thallium · solid state 23Na NMR · Single Crystal · Liquid Ammonia
subject: 540 Chemie

description: Two new ternary trielides Na7KTr4 (Tr=In, Tl) have been prepared by classical solid-state reaction from the elements in tantalum ampoules. Both are isostructural to Na7RbTl4 and therefore crystallize in the orthorhombic space group Pbam, Pearson symbol oP96 (a=b=16.3283(2)/16.2860(6), c=11.3094(17)/11.2771(4), V=3015.25(8)/2991.07(18), Z=8, R1, wR2=0.0249, 0.0386/0.0447, 0.0608). The trielide subunit is built by two crystallographically independent [Tr4]8− tetrahedra. 23Na-MAS-Nuclear Magnetic Resonance (NMR) as well as EPR spectroscopy was employed to characterize the compounds further. DOS calculations showed a (pseudo) band gap at EF for both compounds. Dissolution experiments in liquid ammonia were carried out for the two alkali metal indides Na7KIn4 and Na2In according to the chemistry of group 14 and 15 Zintl anions. After evaporating the solvent, the remaining material was analyzed by powder X-ray diffraction and proved the formation of NaIn and NaNH2.
Echiniscus C. A. S. Schultze 1840
Creators: name: Dey, Pritam K.
name: Gąsiorek, Piotr
name: Michalczyk, Łukasz
Publisher: name: Zenodo
Year: 2023
Subjects: Biodiversity
Taxonomy
Animalia
Tardigrada
Heterotardigrada
Echiniscoidea
Echiniscidae
Echiniscus

description: Genus: Echiniscus C. A. S. Schultze, 1840
The Echiniscus brunus complex
Diagnosis: Unappendaged Echiniscus spp. of caramel colour in live individuals (e.g. Figs 3, 5; compare also with Figs 4, 6) caused by an interplay of orange pigments in the body cavity and dark brown pigmentation of the dorsal and pedal plates, and pulvini on legs. In specimens preserved in Hoyer’s medium, i.e. in which orange pigments dissolve asser several days, specimens are brown owing to the cuticular plate pigmentation (Figs 5, 9, 10, 12, 14). The dark cuticular pigmentation is UV absorbent (Fig. 7). All dorsal and (well-developed) pedal plates are with pores and without intracuticular pillars (sculpture of the E. spinulosus type; Figs 5, 9, 10, 12, 14). A median anterior suture has approximately from one-third to one-half of the scapular plate; it is visible in PCM and BFM as a bright incision and as a stripe of mostly smooth cuticle in SEM (Figs 3E, 5, 7B, 9A–C, 10A, E, F, 11A, 12A, 13A, 14A). In some specimens, a crescent-shaped thickening on the caudal plate is present, beưer visible in PCM (Figs 5, 10A, E, 12A, 14A), but also detectable in SEM (Figs 11A, B, 13A, B) and UVM (Fig. 7B). A pair of subcephalic ventral plates is present (Figs 10C, 12C, 14C).
Differential diagnosis: Because of the combination of distinct coloration (caramel/brown) and the lack of trunk appendages, species of the new complex are easily differentiable from all other Echiniscus spp. However, because of the presence of the dark cuticular pigmentation and the lack of trunk appendages, species of the E. brunus complex may be mistaken for Viridiscus at first sight. Thus, for accurate phenotypic identification, a careful examination of cuticular pigmentation (brown in the new complex vs. dark green to almost black in Viridiscus), dorsal plate endocuticle (homogeneous and solid in the new complex vs. sponge layer in Viridiscus) and scapular plate morphology (with a conspicuous anterior suture the new complex vs. no suture observed in Viridiscus) is needed.
Composition: Echiniscus brunus (India) and two undescribed candidate species, E. aff. brunus sp. can. 1 and (India) E. aff. brunus sp. can. 2 (Tanzania), genetically distinct but without a sufficient number of specimens to warrant a proper characterization of their morphological intraspecific variability and formal species descriptions.
description: Published as part of Dey, Pritam K., Gąsiorek, Piotr & Michalczyk, Łukasz, 2024, Convergent evolution of dark, ultraviolet-absorbing cuticular pigmentation in a new Afro-Oriental Echiniscus brunus species complex (Heterotardigrada: Echiniscidae), pp. 34-59 in Zoological Journal of the Linnean Society 200 (1) on page 40, DOI: 10.1093/zoolinnean/zlad132, http://zenodo.org/record/10470646
Reteporella Busk 1884
Creators: name: Denisenko, Nina V.
Publisher: name: Zenodo
Year: 2022
Subjects: Biodiversity
Taxonomy
Animalia
Bryozoa
Gymnolaemata
Cheilostomatida
Phidoloporidae
Reteporella

description: Genus Reteporella Busk, 1884
Type species: Reteporella flabellata Busk, 1884
description: Published as part of Denisenko, Nina V., 2022, New species and new records of Reteporella (Bryozoa: Cheilostomatida) from Greenland waters, pp. 530-542 in Zootaxa 5129 (4) on page 532, DOI: 10.11646/zootaxa.5129.4.3, http://zenodo.org/record/6504000
Contraceptive counselling in community pharmacy: An opportunity to advance equitable contraceptive care
Creators: name: BUCKINGHAM, PHILIPPA LOUISE MARIA
Publisher: name: Monash University
Year: 2024
Subjects: classificationCode: 420312
subject: Implementation science and evaluation
classificationCode: 420503
subject: Community and primary care
classificationCode: 321403
subject: Clinical pharmacy and pharmacy practice

description: This thesis explores how extending community pharmacists’ contraceptive care scope of practice might be a part of the solution to address inequities in contraceptive care within the primary care system. We used a three-phase multiple-methods approach, combining implementation science principles, theories and frameworks with Holt and colleagues’ person-centred contraceptive care framework. The findings describe barriers to the provision of contraceptive counselling among pharmacists, the role and importance of this service in the health system, and how to improve a sense of safety and acceptability for people who use contraception, who would like to participate in contraceptive counselling in the community pharmacy setting. These findings can guide future implementation efforts.
SEAwise report on Communications Strategy and Activities (3rd year)
Creators: name: ní Aodha, Lia
name: Wilson, Benedict
name: Mynott, Sara
name: Sibthorpe, Elle
name: Rindorf, Anna
Publisher: name: Technical University of Denmark
Year: 2024
Subjects: classificationCode: 410406
subject: Natural resource management

description: This report summarises key SEAwise communications and outreach activities conducted from September 2023 - September 2024. During this period, communications actions have centred on the development and publication of accessible public summaries of SEAwise research; ongoing social media engagement and management; showcasing the work of SEAwise and the people behind the project via public-facing blog posts on the project’s website; monthly publication of a SEAwise newsletter; engagement with the media and development of the SEAwise EBFM Tool. These activities have been supplemented with work towards planning and development of short Case Study films, which – along with the website and the EBFM Tool – will act as a legacy for SEAwise beyond the project’s lifetime. All activities have been undertaken in line with the objectives and agreed methods of the SEAwise Communications and Social Media Strategies and supported by input from Work Package, Case Study and Task leads, where appropriate.Read more about the SEAwise project at www.seawiseproject.org
THE IMPACT OF COVID-19 CRISIS ON LIBRARIES: A STUDY
Creators: name: R, Leela Mohana Kumari
Publisher: name: figshare
Year: 2024
Subjects: classificationCode: 461099
subject: Library and information studies not elsewhere classified

description: Library is heart of the any institution (or) University. The basic aim of Libraries is to improve, expand and the professional knowledge in the Library and Information science institutions and research centers. This paper discusses various problems and solutions in libraries and also describes promote and improvement of Library services in covid-19 period.
Supplementary Material from Consistent long-distance foraging flights across years and seasons at colony level in a Neotropical bat
Creators: name: Calderon Capote, Maria Camila
name: van Toor, Mariëlle L.
name: O’Mara, Teague
name: Bayer, Travis
name: Dechmann, Dina K. N.
name: Crofoot, Meg
Publisher: name: The Royal Society
Year: 2024
Subjects: classificationCode: 310901
subject: Animal behaviour

description: Tables, Figures and Appendix
Additional file 4: of Time trends and sex differences in associations between socioeconomic status indicators and overweight-obesity in Mexico (2006â  2012)
Creators: name: Quezada, Amado
name: Lozada-Tequeanes, Ana
Publisher: name: Figshare
Year: 2015
Subjects: subject: Cell Biology
subject: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Science Policy
subject: Computational Biology

description: Wealth relationships with OWOB and obesity using equally spaced wealth categories. (PDF 93Â kb)
Cobalt‐Mediated [3+1] Fragmentation of White Phosphorus: Access to Acylcyanophosphanides
Creators: name: Hauer, Sebastian
name: Horsley Downie, Thomas M.
name: Balázs, Gábor
name: Schwedtmann, Kai
name: Weigand, Jan J.
name: Wolf, Robert
Publisher: name: Universität Regensburg
Year: 2023
Subjects: subject: Cobalt · Cyanides · P4Activation · Phosphorus · Pnictides
subject: 540 Chemie

description: Despite the accessibility of numerous transition metal polyphosphido complexes through transition-metal-mediated activation of white phosphorus, the targeted functionalization of Pn ligands to obtain functional monophosphorus species remains challenging. In this study, we introduce a new [3+1] fragmentation procedure for cyclo-P4 ligands, leading to the discovery of acylcyanophosphanides and -phosphines. Treatment of the complex [K(18c-6)][(Ar*BIAN)Co(η4-P4)] ([K(18c-6)]3, 18c-6=[18]crown-6, Ar*=2,6-dibenzhydryl-4-isopropylphenyl, BIAN=1,2-bis(arylimino)acenaphthene diimine) with acyl chlorides results in the formation of acylated tetraphosphido complexes [(Ar*BIAN)Co(η4-P4C(O)R)] (R=tBu, Cy, 1-Ad, Ph; 4 a–d). Subsequent reactions of 4 a–d with cyanide salts yield acylated cyanophosphanides [RC(O)PCN]− (9 a–d−) and the cyclo-P3 cobaltate anion [(Ar*BIAN)Co(η3-P3)(CN)]− (8−). Further reactions of 4 a–d with trimethylsilyl cyanide (Me3SiCN) and isocyanides provide insight into a plausible mechanism of this [3+1] fragmentation reaction, as these reagents partially displace the P4C(O)R ligand from the cobalt center. Several potential intermediates of the [3+1] fragmentation were characterized. Additionally, the introduction of a second acyl substituent was achieved by treating [K(18c-6)]9b with CyC(O)Cl, resulting in the first bis(acyl)monocyanophosphine (CyC(O))2PCN (10).
Reaktivität von [Cp*Fe(η5‐As5)] gegenüber Carbenen, Silylenen und Germylenen
Creators: name: Reichl, Stephan
name: Riesinger, Christoph
name: Yadav, Ravi
name: Timoshkin, Alexey Y.
name: Roesky, Peter W.
name: Scheer, Manfred
Publisher: name: Universität Regensburg
Year: 2023
Subjects: subject: 540 Chemie

description: Das Reaktionsverhalten von [Cp*Fe(η5-As5)] (I) (Cp*=C5Me5) gegenüber Carbenen und ihren schwereren Analoga wurde untersucht. Die Reaktion von I mit NHCs (NHCs=N-heterocyclische Carbene) gibt die ersten Substitutionsprodukte von Polyarsen-Ligandkomplexen mittels NHCs [Cp*Fe(η4-As5NHC)] (1 a: NHC=IMe=1,3,4,5-Tetramethylimidazolin-2-yliden, 1 b: NHC=IMes=1,3-Bis(2,4,6-trimethylphenyl)-imidazolin-2-yliden). Im Gegensatz dazu führt die Reaktion von I mit EtCAAC (EtCAAC=2,6-Diisopropylphenyl)-4,4-diethyl-2,2-dimethyl-pyrrolidin-5-yliden) zu einer Fragmentierung und Bildung einer neuartigen As6-sägebockartigen Verbindung [As2(AsEtCAAC)4] (2). Die Reaktion von (LE)2 (L=PhC(NtBu)2; E=Si, Ge) mit I resultiert in einer Umlagerung und einer Insertion von LE-Fragmenten, was zur Bildung einzigartiger silizium- (4: [Cp*Fe(η4-As4SiL)], 5 a: [Cp*Fe(η4-As6SiL)) und germanium-haltiger (5 b: [Cp*Fe(η4-As6GeL)) cyclischer Polyarsen-Ligandkomplexe führt.
Additional file 8: of Time trends and sex differences in associations between socioeconomic status indicators and overweight-obesity in Mexico (2006â  2012)
Creators: name: Quezada, Amado
name: Lozada-Tequeanes, Ana
Publisher: name: Figshare
Year: 2015
Subjects: subject: Genetics
subject: FOS: Biological sciences
subject: Molecular Biology
subject: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: Science Policy

description: Comparison of models depending on the inclusion of wealth, education, or both as covariates. (PDF 59Â kb)
title: Роль коммуникации и информационных факторов в возникновении сюрпризов денежно-кредитной политики Банка России
Creators: name: Евстигнеева, Алина
name: Щадилова, Юлия
name: Сидоровский, Марк
Publisher: name: Банк России
Year: 2022
Subjects: subject: Economics and business
subject: FOS: Economics and business

description: В этом исследовании мы проверяем, как качество коммуникации и другие информационные факторы влияют на предсказуемость решений Банка России по ключевой ставке. Вопреки ожиданиям, старт публикации траектории ключевой ставки не привел к повышению предсказуемости, как предполагалось в предыдущих работах. Мы показываем, что это вряд ли можно объяснить повышенной неопределенностью, которая оказывала лишь ограниченное влияние на предсказуемость решений в 2015-2021 гг. Практически не показали значимости при возникновении сюрпризов также мискоммуникация (разность фокусов сообщений Банка России и аналитиков) и вербальные интервенции ("корректирующие" ожидания рынка выступления Банка России в течение нескольких недель до решения).
Additional file 1: of Up-regulation of activating and inhibitory NKG2 receptors in allogeneic and autologous hematopoietic stem cell grafts
Creators: name: Picardi, Alessandra
name: Mengarelli, Andrea
name: Marino, Mirella
name: Gallo, Enzo
name: Benevolo, Maria
name: Pescarmona, Edoardo
name: Cocco, Roberta
name: Fraioli, Rocco
name: Tremante, Elisa
name: Petti, Maria
name: Fabritiis, Paolo De
name: Giacomini, Patrizio
Publisher: name: Figshare
Year: 2015
Subjects: subject: Space Science
subject: Medicine
subject: Cell Biology
subject: Pharmacology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Developmental Biology
subject: Hematology
subject: 110309 Infectious Diseases
subject: FOS: Health sciences

description: Supplemental Methods and Results. A supplementary Table (Table S1) summarizing the pertinent literature. A supplemental figure (Fig. S1) displaying correlations between NKG2 up-regulation and survival. References. (PDF 324 kb)
Additional file 5: of Time trends and sex differences in associations between socioeconomic status indicators and overweight-obesity in Mexico (2006â  2012)
Creators: name: Quezada, Amado
name: Lozada-Tequeanes, Ana
Publisher: name: Figshare
Year: 2015
Subjects: subject: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: 19999 Mathematical Sciences not elsewhere classified
subject: FOS: Mathematics
subject: Cancer
subject: Science Policy
subject: Computational Biology

description: Covariate adjusted slopes for the association between wealth and OWOB and obesity at given wealth levels, by sex and survey year. (PDF 87Â kb)
Shedding Light on the D1‐Like Receptors: A Fluorescence‐Based Toolbox for Visualization of the D1 and D5 Receptors
Creators: name: Rosier, Niklas
name: Moennich, Denise
name: Nagl, Martin
name: Schihada, Hannes
name: Sirbu, Alexei
name: Konar, Nergis
name: Reyes-Resina, Irene
name: Navarro, Gemma
name: Franco, Rafael
name: Kolb, Peter
name: Annibale, Paolo
name: Pockes, Steffen
Publisher: name: Universität Regensburg
Year: 2023
Subjects: subject: confocal microscopy · D1--ike receptors ·dopamine receptors · fluorescent ligands · molecular brightness
subject: 540 Chemie
subject: 615 Pharmazie

description: Dopamine D1-like receptors are the most abundant type of dopamine receptors in the central nervous system and, even after decades of discovery, still highly interesting for the study of neurological diseases. We herein describe the synthesis of a new set of fluorescent ligands, structurally derived from D1R antagonist SCH-23390 and labeled with two different fluorescent dyes, as tool compounds for the visualization of D1-like receptors. Pharmacological characterization in radioligand binding studies identified UR-NR435 (25) as a high-affinity ligand for D1-like receptors (pKi (D1R)=8.34, pKi (D5R)=7.62) with excellent selectivity towards D2-like receptors. Compound 25 proved to be a neutral antagonist at the D1R and D5R in a Gs heterotrimer dissociation assay, an important feature to avoid receptor internalization and degradation when working with whole cells. The neutral antagonist 25 displayed rapid association and complete dissociation to the D1R in kinetic binding studies using confocal microscopy verifying its applicability for fluorescence microscopy. Moreover, molecular brightness studies determined a single-digit nanomolar binding affinity of the ligand, which was in good agreement with radioligand binding data. For this reason, this fluorescent ligand is a useful tool for a sophisticated characterization of native D1 receptors in a variety of experimental setups.
Additional file 3: of Time trends and sex differences in associations between socioeconomic status indicators and overweight-obesity in Mexico (2006â  2012)
Creators: name: Quezada, Amado
name: Lozada-Tequeanes, Ana
Publisher: name: Figshare
Year: 2015
Subjects: subject: Molecular Biology
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: 19999 Mathematical Sciences not elsewhere classified
subject: FOS: Mathematics
subject: Marine Biology
subject: Science Policy

description: Interaction tests with area of residence. (PDF 57Â kb)
Additional file 1: of Anemia and risk for cognitive decline in chronic kidney disease
Creators: name: Tamura, Manjula Kurella
name: Vittinghoff, Eric
name: Jingrong Yang
name: Go, Alan
name: Seliger, Stephen
name: Kusek, John
name: Lash, James
name: Cohen, Debbie
name: Simon, James
name: Vecihi Batuman
name: Ordonez, Juan
name: Makos, Gail
name: Yaffe, Kristine
Publisher: name: Figshare
Year: 2016
Subjects: subject: Molecular Biology
subject: Physiology
subject: FOS: Biological sciences
subject: Biotechnology
subject: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences
subject: Developmental Biology
subject: Marine Biology
subject: 110309 Infectious Diseases
subject: FOS: Health sciences

description: Supplemental File. (DOCX 12 kb)
Additional file 1: of Time trends and sex differences in associations between socioeconomic status indicators and overweight-obesity in Mexico (2006â  2012)
Creators: name: Quezada, Amado
name: Lozada-Tequeanes, Ana
Publisher: name: Figshare
Year: 2015
Subjects: subject: Molecular Biology
subject: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Science Policy

description: Calculation of the wealth index. (PDF 65Â kb)
NHC‐Stabilized Mixed Group 13/14/15 Element Hydrides
Creators: name: Ackermann, Matthias T.
name: Szlosek, Robert
name: Riesinger, Christoph
name: Seidl, Michael
name: Timoshkin, Alexey Y.
name: Rivard, Eric
name: Scheer, Manfred
Publisher: name: Universität Regensburg
Year: 2023
Subjects: subject: carbenes · boron · germanium · phosphorus · inorganic hydrides
subject: 540 Chemie

description: The syntheses of novel N-heterocyclic carbene (NHC) adducts of group 13, 14 and 15 element hydrides are reported. Salt metathesis reactions between NaPH2 and IDipp ⋅ GeH2BH2OTf (1) (IDipp=1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene) led to mixtures of the two isomers IDipp ⋅ GeH2BH2PH2 (2 a) and IDipp ⋅ BH2GeH2PH2 (2 b); by altering the reaction conditions an almost exclusive formation of 2 b was achieved. Attempts to purify mixtures of 2 a and 2 b by re-crystallization from THF afforded a salt [IDipp ⋅ GeH2BH2 ⋅ IDipp][PHGeH2BH2PH2BH2GeH2] (4) that contains the novel anionic cyclohexyl-like inorganic heterocycle [PHGeH2BH2PH2BH2GeH2]−. In addition, the borane adducts IDipp ⋅ GeH2BH2PH2BH3 (3 a) and IDipp ⋅ BH2GeH2PH2BH3 (3 b) as even longer chain compounds were obtained from reactions of 2 a/2 b with H3B ⋅ SMe2 and were studied by NMR spectroscopy. Accompanying DFT computations give insight into the mechanism and energetics associated with 2 a/2 b isomerization as well as their decomposition pathways.
Managing Expectations and Imbalanced Training Data in Reactive Force Field Development: an Application to Water Adsorption on Alumina
Creators: name: Dumortier, Loïc
name: Chizallet, Céline
name: Creton, Benoit
name: de Bruin, Theodorus
name: Verstraelen, Toon
Publisher: name: arXiv
Year: 2024
Subjects: subject: Chemical Physics (physics.chem-ph)
subject: FOS: Physical sciences

description: ReaxFF is a computationally efficient model for reactive molecular dynamics simulations, which has been applied to a wide variety of chemical systems. When ReaxFF parameters are not yet available for a chemistry of interest, they must be (re)optimized, for which one defines a set of training data that the new ReaxFF parameters should reproduce. ReaxFF training sets typically contain diverse properties with different units, some of which are more abundant (by orders of magnitude) than others. To find the best parameters, one conventionally minimizes a weighted sum of squared errors over all data in the training set. One of the challenges in such numerical optimizations is to assign weights so that the optimized parameters represent a good compromise between all the requirements defined in the training set. This work introduces a new loss function, called Balanced Loss, and a workflow that replaces weight assignment with a more manageable procedure. The training data is divided into categories with corresponding "tolerances", i.e. acceptable root-mean-square errors for the categories, which define the expectations for the optimized ReaxFF parameters. Through the Log-Sum-Exp form of Balanced Loss, the parameter optimization is also a validation of one's expectations, providing meaningful feedback that can be used to reconfigure the tolerances if needed. The new methodology is demonstrated with a non-trivial parameterization of ReaxFF for water adsorption on alumina. This results in a new force field that reproduces both rare and frequent properties of a validation set not used for training. We also demonstrate the robustness of the new force field with a molecular dynamics simulation of water desorption from a $γ$-Al$_2$O$_3$ slab model.
Additional file 3: of Perception of drug teratogenicity among general practitioners and specialists in obstetrics/gynecology: a regional and national questionnaire-based survey
Creators: name: Gils, Charlotte
name: PottegĂĽrd, Anton
name: Zandra Ennis
name: Damkier, Per
Publisher: name: Figshare
Year: 2016
Subjects: subject: Medicine
subject: Cell Biology
subject: Molecular Biology
subject: Pharmacology
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Developmental Biology

description: Classification of medication use during pregnancy from the Danish PDR. (DOCX 17 kb)
Development of Photoswitchable Tethered Ligands that Target the µ-Opioid Receptor
Creators: name: Lahmy, Ranit
name: König, Burkhard
name: Huebner, Harald
name: Lachmann, Daniel
name: Gmeiner, Peter
Publisher: name: Universität Regensburg
Year: 2023
Subjects: subject: covalent • fentanyl • μ-opioid receptor • G-proteincoupled receptor • photopharmacology
subject: 540 Chemie

description: Converting known ligands into photoswitchable derivatives offers the opportunity to modulate compound structure with light and hence, biological activity. In doing so, these probes provide unique control when evaluating G-protein-coupled receptor (GPCR) mechanism and function. Further conversion of such compounds into covalent probes, known as photoswitchable tethered ligands (PTLs), offers additional advantages. These include localization of the PTLs to the receptor binding pocket. Covalent localization increases local ligand concentration, improves site selectivity and may improve the biological differences between the respective isomers. This work describes chemical, photophysical and biochemical characterizations of a variety of PTLs designed to target the µ-opioid receptor (µOR). These PTLs were modeled on fentanyl, with the lead disulfide-containing agonist found to covalently interact with this medically-relevant receptor.
Additional file 8: Table S3. of The application of transcriptomic data in the authentication of beef derived from contrasting production systems
Creators: name: Torres Sweeney
name: Lejeune, Alex
name: Moloney, Aidan
name: Monahan, Frank
name: Gettigan, Paul
name: Downey, Gerard
name: Park, Stephen
name: Ryan, Marion
Publisher: name: Figshare
Year: 2016
Subjects: subject: Genetics
subject: FOS: Biological sciences
subject: Molecular Biology
subject: Pharmacology
subject: Ecology
subject: 69999 Biological Sciences not elsewhere classified
subject: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences
subject: 19999 Mathematical Sciences not elsewhere classified
subject: FOS: Mathematics
subject: Developmental Biology
subject: Inorganic Chemistry
subject: FOS: Chemical sciences
subject: Science Policy
subject: Hematology
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: Plant Biology

description: Primer pairs used for QPCR on DE genes. (DOCX 16 kb)
Additional file 5: Table S3. of Generation of different sizes and classes of small RNAs in barley is locus, chromosome and/or cultivar-dependent
Creators: name: Hackenberg, Michael
name: Rueda, Antonio
name: Gustafson, Perry
name: Langridge, Peter
name: Bu-Jun Shi
Publisher: name: Figshare
Year: 2016
Subjects: subject: Genetics
subject: FOS: Biological sciences
subject: Molecular Biology
subject: Evolutionary Biology
subject: 69999 Biological Sciences not elsewhere classified
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: Plant Biology

description: Cultivar-specific and differentially expressed sRNAs in GP and Pallas. (DOC 26 kb)
On-the-Fly Point Annotation for Fast Medical Video Labeling
Creators: name: Adrien, Meyer
name: Jean-Paul, Mazellier
name: Dana, Jeremy
name: Padoy, Nicolas
Publisher: name: arXiv
Year: 2024
Subjects: subject: Computer Vision and Pattern Recognition (cs.CV)
subject: FOS: Computer and information sciences

description: Purpose: In medical research, deep learning models rely on high-quality annotated data, a process often laborious and timeconsuming. This is particularly true for detection tasks where bounding box annotations are required. The need to adjust two corners makes the process inherently frame-by-frame. Given the scarcity of experts' time, efficient annotation methods suitable for clinicians are needed. Methods: We propose an on-the-fly method for live video annotation to enhance the annotation efficiency. In this approach, a continuous single-point annotation is maintained by keeping the cursor on the object in a live video, mitigating the need for tedious pausing and repetitive navigation inherent in traditional annotation methods. This novel annotation paradigm inherits the point annotation's ability to generate pseudo-labels using a point-to-box teacher model. We empirically evaluate this approach by developing a dataset and comparing on-the-fly annotation time against traditional annotation method. Results: Using our method, annotation speed was 3.2x faster than the traditional annotation technique. We achieved a mean improvement of 6.51 +- 0.98 AP@50 over conventional method at equivalent annotation budgets on the developed dataset. Conclusion: Without bells and whistles, our approach offers a significant speed-up in annotation tasks. It can be easily implemented on any annotation platform to accelerate the integration of deep learning in video-based medical research.
description: 7 pages, 5 figures. Int J CARS (2024)
Additional file 3: Figure S3. of The application of transcriptomic data in the authentication of beef derived from contrasting production systems
Creators: name: Torres Sweeney
name: Lejeune, Alex
name: Moloney, Aidan
name: Monahan, Frank
name: Gettigan, Paul
name: Downey, Gerard
name: Park, Stephen
name: Ryan, Marion
Publisher: name: Figshare
Year: 2016
Subjects: subject: Biochemistry
subject: Space Science
subject: Cell Biology
subject: Genetics
subject: FOS: Biological sciences
subject: Molecular Biology
subject: Pharmacology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: 69999 Biological Sciences not elsewhere classified
subject: Developmental Biology
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: Plant Biology

description: Scatter plots of Omega 3 fatty acid concentrations (units) versus normalised relative quantities for DE genes for Outdoor/pasture-fed (n = 22) and indoor/concentrate-fed animals (n = 22). (DOCX 177 kb)
Direct Comparison of SiPM and PMT Sensor Performances in a large-size imaging air Cherenkov telescope
Creators: name: Hahn, A.
name: Mirzoyan, R.
name: Dettlaff, A.
name: Fink, D.
name: Mazin, D.
name: Teshima, M.
Publisher: name: arXiv
Year: 2024
Subjects: subject: Instrumentation and Methods for Astrophysics (astro-ph.IM)
subject: FOS: Physical sciences

description: The peak photon detection efficiency (PDE) of silicon photomultipliers (SiPMs) can be as good or better than the PDE of photomultiplier tubes (PMTs). There are experiments where the signal is measured in the presence of a strong, steady background light emission. In these, one needs to accurately evaluate the signal-to-noise ratio. Imaging Atmospheric Cherenkov Telescopes (IACTs) observe in the presence of strong noise induced by the light of the night sky. It is certainly interesting to investigate the SiPM performance under operational conditions of IACTs and to compare it with that of the PMTs. For that purpose, we built a SiPM-based detector module, which was installed in one of the imaging cameras of the two Major Atmospheric Gamma-ray Imaging Cherenkov (MAGIC) telescopes in 2015. The experience gained from that module was used to design the second generation of modules of improved performance. Two such modules were installed in 2017. MAGIC is a system of two IACTs located on the Canary Island of La Palma. The mechanical structure of the MAGIC imaging cameras offers the possibility to install up to 6 additional detector modules of 7 pixels each into the open vertices of the hexagonal-shaped camera. This allows us to directly, without making any assumption, compare the performance of the PMT-based modules with that of the SiPM-based prototype modules, where SiPMs from three different manufacturers are used.
description: 26 pages, 26 figures, Accepted for publication in Nuclear Instruments and Methods in Physics Research - section A (NIM-A)