Crystal data for Molecule 1 is collected on a “Bruker APEX-II CCD” diffractometer (Ga-Kα radiation, λ = 1.34139 Å, photon II detector). Crystal data for endo-[1,2,4]diphane is collected on a “Bruker D8 VENTURE” diffractometer (Cu–Kα radiation, λ = 1.54178 Å, photon II detector). Crystal data for endo-[1,2,5]diphane is collected on a “Bruker APEX-II CCD” diffractometer (Ga–Kα radiation, λ = 1.34139 Å, photon II detector). Crystal data for exo-[1,2,5]diphane is collected on a “Bruker APEX-II CCD” diffractometer (Cu–Kα radiation, λ = 1.54178 Å, photon II detector). Crystal data for Cage-2 is collected on a “Bruker D8 VENTURE” diffractometer (Ga-Kα radiation, λ = 1.34139 Å, photon II detector).
D8 venture
Manufactured by Bruker
Sourced in Germany, United States
The D8 Venture is a highly versatile X-ray diffractometer designed for a wide range of crystallographic applications. It features a robust and reliable design, state-of-the-art components, and advanced software for data collection and analysis. The core function of the D8 Venture is to provide high-quality X-ray diffraction data for structural analysis and characterization of materials.
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Lab products found in correlation
Apex3, by Bruker (10 mentions)
Apex2, by Bruker (6 mentions)
Saint software package, by Bruker (5 mentions)
Photon 100, by Bruker (5 mentions)
Photon 2, by Bruker (4 mentions)
Shelxtl software package, by Bruker (4 mentions)
Optima max tl, by Beckman Coulter (3 mentions)
X8 apexii ccd, by Bruker (3 mentions)
Proteum3, by Bruker (3 mentions)
X8 apex 2, by Bruker (3 mentions)
Diffrac eva, by Bruker (2 mentions)
Apex 2 ccd, by Bruker (2 mentions)
Avance 500, by Bruker (2 mentions)
Smart apex 2, by Bruker (2 mentions)
Photon 3 detector, by Bruker (2 mentions)
Saint version 2018.7 2, by Bruker (2 mentions)
Cmos photon 3 detector, by Bruker (2 mentions)
Saint program, by Bruker (2 mentions)
Paratone oil, by Hampton Research (2 mentions)
Avance 3 400, by Bruker (2 mentions)
224 protocols using d8 venture
1
Crystal Structure Characterization Methods
2
X-ray Crystallographic Structural Analysis
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X-ray diffraction data were collected on a Bruker X8 Kappa Apex II diffractometer using Mo Kα radiation (1–3 , 6 ), a Bruker D8 VENTURE diffractometer using Mo Kα radiation (5 ), or a Bruker D8 VENTURE diffractometer using Cu Kα radiation (7 and 11 ). Crystal data, data collection and refinement parameters are summarized in Table S1 . The structures were solved using direct methods and standard difference map techniques, and were refined by full-matrix least-squares procedures on F2 with SHELXTL (Sheldrick, 1981 , 2015 (link)). All hydrogen atoms bound to carbon were placed in calculated positions and refined with a riding model [Uiso(H) = 1.2–1.5Ueq(C)], while hydrogen atoms bound to boron were located on the difference map and freely refined. For 3 , some carbon-bound hydrogen atoms involved in sigma interactions with potassium were also located on the difference map and freely refined. Database: CCDC Nos. 2159079-2159084 (1 -3 and 5 -7 ) and 2192622 (11 ) contain the supplementary crystallographic data for this paper. These data can be obtained free of charge via http://www.ccdc.cam.ac.uk/conts/retrieving.html, or from the Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK; fax: (+44) 1223-336-033; or e-mail: deposit@ccdc.cam.ac.uk.
3
Fibril Characterization via X-ray Diffraction
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Fibril pellets were collected by ultracentrifugation at 55,000 rpm and 25 °C for 1 h (Optima Max-TL, BECKMAN COULTER). The fibril pellet was then mounted in a loop and exposed to Cu-κ radiation from a Bruker D8 VENTURE X-ray generator at a wavelength of 0.154184 nm, and the distance was 50 mm from the source. Data were collected at room temperature for 1 min on a Bruker D8 VENTURE imaging plate detector.
4
Crystallinity Analysis of WPI-Inulin-Lactose Matrix
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Crystallization behaviors and the intensity of crystalline forms in the WPI-inulin-lactose matrix can be both investigated by the X-ray diffraction analysis (Bruker D8 Venture, Bruker Ltd., Germany). The samples were kept in the desiccators and incubated at 75% RH environment before measurement. The scanning range was set from 5° to 30° and the operating electric voltage and current were adjusted to 40 kV and 30 mA, respectively. Three repetitions of each sample were examined and compared at the sampling time of 0, 4 and 7 days.
5
X-ray Diffraction Analysis of Microcapsules
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A small amount of powder microcapsules were taken for X-ray diffraction analysis. X-ray diffraction patterns were obtained by diffractometer system (Bruker D8 Venture, Bruker Ltd., Hamburg, Germany). The scanning range was set to 5–30° and the operating electric voltage and current were adjusted at 40 kV and 30 mA, respectively. A total of three repetitions of each sample were examined.
6
TDP-43 LCD Aggregation Analysis
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A total of 20 μM of TDP-43 LCD and its variants were incubated first for 4 days. The solution mixtures were then centrifuged at 50,000 rpm for 2 h (Optima Max-TL, BECKMAN COULTER, Bera, CA, USA) and the pellets were collected. The precipitation was applied to a Single Crystal X-ray Diffraction instrument (Bruker D8 VENTURE, Bruker, Karlsruhe, Germany, Germany) for the measurement and the light source was Cu Kα radiation at a 1.54184Å wavelength [40 (link)].
7
Powder X-Ray Diffraction Characterization
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The finely powdered samples were fixed onto a Mitegen MicroMeshes sample holder (MiTeGen Co., Ithaca, NY, USA) with a minimal amount of oil. Powder diffraction data of the samples with Debye Scherer geometry were collected using a Bruker-D8 Venture (Bruker AXS. GmbH, Karlsruhe, Germany) diffractometer equipped with INCOATEC IμS 3.0 dual (Cu and Mo) sealed tube micro sources (50 kV, 1.4 mA). A Photon 200 Charge-integrating Pixel Array detector and CuKα (λ = 1.54178 Å) radiation was applied. Several frames were collected with various detector-sample distances in phi rotation scanning mode. Data collection and integration were carried out using the APEX3 and DiffracEva software (Bruker AXS Inc., Madison, WI, USA, Version 4.2.2.3), respectively.
8
Crystalline Form Analysis of APIs and Polymers
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To analyze the crystal form of APIs and polymers, physical mixtures and freeze-dried complexes were prepared, and ultrapure API was used as a control. The finely powdered sample was fixed onto a Mitegen MicroMeshes sample holder (MiTeGen Co., Ithaca, NY, USA) with a minimal amount of oil. Powder diffraction data of the samples with Debye Scherer geometry were collected using a Bruker-D8 Venture (Bruker AXS. GmbH, Karlsruhe, Germany) diffractometer equipped with INCOATEC IμS 3.0 dual (Cu and Mo) sealed tube micro sources (50 kV, 1.4 mA). A Photon 200 Charge-integrating Pixel Array detector and CuKα (λ = 1.54178 Å) radiation was applied. Several frames were collected with various detector-sample distances in phi scan mode. Data collection and integration was performed using the APEX3 and DiffracEva software (Bruker AXS Inc., Madison, WI, USA, Version 4.2.2.3), respectively.
9
Comprehensive Characterization of Compounds
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NMR spectra, including HSQC, HMBC, COSY, and NOESY, were recorded on a Bruker AVANCE-500 instrument with tetramethylsilane (TMS) as an internal standard (Bruker BioSpin group, Rheinstetten, Germany). ESI-MS and HR-ESI-MS data were obtained on a Waters LC-MS (Waters Corporation, Milford, MA, USA) and Thermo Q-T of Micromass (Thermo Electron Corporation, Waltham, MA, USA) spectrometers, respectively. Preparative HPLC was carried on a Waters 2767 Autopurification System (Waters Corporation, Milford, MA, USA) coupled with a DAD detector, using a Sunfire Prep C18 OBD (5 μm, 19 × 250 mm, Waters Corporation, Milford, MA, USA) column. X-ray crystallography analysis was conducted on a Bruker D8 VENTURE (Bruker Corporation, Billerica, MA, USA) single-crystal diffractometer.
10
X-Ray Crystallographic Structure Determination
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Some suitable single crystals of each compound were measured. Their diffraction data were collected at 293-295 K on a Bruker D8 Venture diffractometer equipped with a bidimensional CMOS Photon 100 detector, using graphite monochromated Cu-Kα (λ = 1.54178 Å) radiation. The diffraction frames were integrated using the APEX3 package [57 ] and were corrected for absorptions with SADABS. The structures of all compounds were solved by intrinsic phasing [58 (link)] using the OLEX 2 program [59 (link)]. The structures were then refined with full-matrix least-squares methods based on F2 (SHELXL-2014) [58 (link)]. For the four compounds, non-hydrogen atoms were refined with anisotropic displacement parameters. All hydrogen atoms were included in their calculated positions, assigned fixed isotropic thermal parameters, and constrained to ride on their parent atoms. A summary of the details about crystal data, collection parameters, and refinement are documented in Table 2 , and additional crystallographic details are provided in the CIF files. ORTEP views were drawn using OLEX2 software [59 (link)].
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