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powder x ray diffraction owder x ray diffraction pxrd data  (Rigaku Corporation)


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    Rigaku Corporation powder x ray diffraction owder x ray diffraction pxrd data
    Powder X Ray Diffraction Owder X Ray Diffraction Pxrd Data, supplied by Rigaku Corporation, used in various techniques. Bioz Stars score: 99/100, based on 42197 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/x-ray+diffraction+data/MiniFlex/pm42859996-329-1-15
    Average 99 stars, based on 42197 article reviews
    powder x ray diffraction owder x ray diffraction pxrd data - by Bioz Stars, 2026-11
    99/100 stars

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    Article Title: Anti-neuroinflammatory naphthol dimers from the marine-derived fungus Penicillium sp. HQ1-23.
    Article Snippet: Five undescribed naphthol dimers, penibinaphthols A− E (1− 5), and two known analogues (6 and 7), were isolated from the marine-derived fungus Penicillium sp. HQ1-23.. Their structures were elucidated based on spectroscopic data analysis, and the absolute configurations were determined by X-ray crystallographic data and ECD spectroscopic analysis.. Compound 3, with a ketone carbonyl group at C-1′, potently inhibited LPS-induced NO production in BV-2 microglial cells (IC50 = 6.86 ± 0.10 μM), surpassing that of the positive control minocycline (IC50 = 23.57 ± 0.92 μM).

    Article Title: Humidity modulated surface pattering of large-scale molecular ferroelectric thin films based on natural alkaloids
    Article Snippet: Molecular ferroelectrics with low power consumption offer environmental and economic advantages over conventional ferroelectrics and could lead to next-generation microelectronic devices.. To this end, it is of great importance to understand the conditions under which molecules can be engineered to form large-area, highly oriented thin films, as their electrical properties depend on orientation.. In the research field of molecular ferroelectrics, homochiral multifunctional organic molecules are often used to induce the self-assembly of molecules through non-covalent interactions to form polar crystal packings and consequently ferroelectric properties.

    Article Title: Tuning Birefringence in Supramolecular Mg-PDA Frameworks: Modulating Bonding and Layer Connectivity
    Article Snippet: Single-crystal X-ray diffraction data for the title compounds were collected using a Rigaku XtaLAB Synergy-DW dual-wavelength CCD diffractometer, equipped with Cu Kα radiation (λ = 1.54184 Å) at 293 K. Data reduction was performed using CrysAlisPro, and absorption correction was applied based on the multi-scan method.1 The structures of 1 and 2 were determined using direct methods and refined by full- matrix least-squares fitting on F2 utilizing SHELXL-2018.2 Anisotropic thermal parameters were applied to refine all non-hydrogen atoms.

    Article Title: Charge Density Wave and Ferromagnetism in Intercalated CrSBr.
    Article Snippet: Single crystal X-ray diffraction data of Li-CrSBr was collected using a Rigaku XtaLAB Synergy-S system.

    Article Title: Synthesis of 3,6-Dihydro-2 H -thiopyrans from α-Diazo-β-diketones and Vinylthiiranes via [5 + 1] Annulation.
    Article Snippet: Functionalized 3,6-dihydro-2H-thiopyrans are synthesized in moderate to good yields from α-diazo-β-diketones and vinylthiiranes under Cu(hfacac)2 catalysis and microwave irradiation via [5 + 1] annulation.. The reaction mechanism includes a tandem sequence of the Cu-carbenoid generation from α-diazo-β-diketones, nucleophilic attack of vinylthiiranes to the carbenoids, and subsequent [2,3]-sigmatropic rearrangement.. The process is a carbene-induced ring expansion of vinylthiiranes.

    Article Title: SUPPORTING INFORMATION Macropolyhedral syn-B18H22, the “Forgotten” Isomer
    Article Snippet: Single crystal X-ray analysis The X-ray diffraction data of samples were collected with Rigaku OD Supernova using Atlas S2 CCD detector and mirror collimated Cu-Kα (λ = 1.54184 Å) from micro-focused sealed X-ray tube.

    Article Title: Fluorescent pyridine phosphonium salts via transmutation of metallabenzenes
    Article Snippet: Single-crystal X–ray diffraction data were collected on a Rigaku XtaLAB Synergy, Dualflex, HyPix diffractometer with mirror– monochromated Cu Kα radiation (λ = 1.54184 Å) except 5a'.

    Article Title: Ce Decoration-Enhanced Singlet Oxygen Generation of Titanium-Oxide Clusters for Photocatalytic Oxidation of Aromatic Alcohols.
    Article Snippet: In photocatalysis, the nature of reactive oxygen species plays a pivotal role in determining product selectivity.. Yet, selective generation of singlet oxygen (O2) is particularly desirable for achieving targeted photooxidations.. Herein, two new nanosized titanium-oxide clusters (TOCs) doped with Ce, Ti14Ce2 and Ti4Ce2, were synthesized and explored in the selective photocatalytic oxidation of benzyl alcohols to benzaldehydes under mild conditions.



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    Workflow used for the analysis of the ML tools discussed in this article. (a) Optimization of the 65 X-ray crystal structures with either DFT or UMA, or no optimization, followed by calculations of magnetic shielding tensors either via RPBE or ShiftML3. (b) For the set of Ramos et al. , optimization of the reported PBE-D3 structures with either UMA (tasks omol or omc) or MACE-Polar-1, followed by calculations of magnetic shieldings with either PBE or ShiftML3.

    Journal: Chemical Science

    Article Title: Accessible hybrid DFT-quality NMR crystallography via gas-phase machine learning interatomic potentials

    doi: 10.1039/d6sc04941a

    Figure Lengend Snippet: Workflow used for the analysis of the ML tools discussed in this article. (a) Optimization of the 65 X-ray crystal structures with either DFT or UMA, or no optimization, followed by calculations of magnetic shielding tensors either via RPBE or ShiftML3. (b) For the set of Ramos et al. , optimization of the reported PBE-D3 structures with either UMA (tasks omol or omc) or MACE-Polar-1, followed by calculations of magnetic shieldings with either PBE or ShiftML3.

    Article Snippet: Powder X-ray diffraction (PXRD) data were collected on a Rigaku MiniFlex benchtop diffractometer using Cu Kα radiation ( λ = 1.5406 Å) and a D/teX Ultra2 detector.

    Techniques:

    Comparison between the 13 C isotropic magnetic shieldings obtained via (a) X-ray/RPBE vs. RPBE-D2/RPBE, (b) UMA/RPBE vs. RPBE-D2/RPBE, (c) X-ray/ShiftML3 vs. RPBE-D2/RPBE, (d) UMA/ShiftML3 vs. RPBE-D2/RPBE. UMA was used with the task omol and the uma-s-1p1 model.

    Journal: Chemical Science

    Article Title: Accessible hybrid DFT-quality NMR crystallography via gas-phase machine learning interatomic potentials

    doi: 10.1039/d6sc04941a

    Figure Lengend Snippet: Comparison between the 13 C isotropic magnetic shieldings obtained via (a) X-ray/RPBE vs. RPBE-D2/RPBE, (b) UMA/RPBE vs. RPBE-D2/RPBE, (c) X-ray/ShiftML3 vs. RPBE-D2/RPBE, (d) UMA/ShiftML3 vs. RPBE-D2/RPBE. UMA was used with the task omol and the uma-s-1p1 model.

    Article Snippet: Powder X-ray diffraction (PXRD) data were collected on a Rigaku MiniFlex benchtop diffractometer using Cu Kα radiation ( λ = 1.5406 Å) and a D/teX Ultra2 detector.

    Techniques: Comparison