13C NMR spectra of D-Arb and β-Arb were obtained on a Bruker Avance 300 MHz instrument using DMSO as solvent (S1 Fig ). The δ values were measured relative to those for tetramethylsilane using the carbon signals of the deuterated solvent. The maximum line width accepted in the NMR spectra was 0.06 Hz, so that the maximum accepted error for each peak was ± 0.03 ppm.
Avance 300 mhz
Manufactured by Bruker
Sourced in United States, Germany
The Avance 300 MHz is a nuclear magnetic resonance (NMR) spectrometer from Bruker. It operates at a proton frequency of 300 MHz and is designed for routine NMR analysis and research applications.
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Lab products found in correlation
Avance 500 mhz, by Bruker (3 mentions)
Avance 600 mhz, by Bruker (2 mentions)
Avance 2 600 mhz, by Bruker (2 mentions)
Avance 400 mhz, by Bruker (2 mentions)
Na2co3, by Thermo Fisher Scientific (2 mentions)
N iodosuccinimide, by AK Scientific (2 mentions)
2400 chns o analyzer, by PerkinElmer (2 mentions)
Avance 3 500 mhz, by Bruker (2 mentions)
Agilent 5973 c insert xl msd mass spectrometer, by Agilent Technologies (2 mentions)
B 545, by Büchi (2 mentions)
Si 60 f254, by Merck Group (2 mentions)
Fisher johns apparatus, by Thermo Fisher Scientific (2 mentions)
1200 series, by Agilent Technologies (1 mentions)
Mestrenova, by Mestrelab Research (1 mentions)
Topspin 3, by Mestrelab Research (1 mentions)
Dmso d6, by Energy Chemical (1 mentions)
Nicolet nexus 670, by Bruker (1 mentions)
Em10c 100 kv transmission electron microscope, by Zeiss (1 mentions)
V 550 uv vis spectrometer, by Jasco (1 mentions)
Pu 2089 pump, by Jasco (1 mentions)
54 protocols using avance 300 mhz
1
NMR Characterization of Arbuscular Mycorrhizal Compounds
2
Localization of Deuterated Phosphatidylcholine
3
Biocatalytic Synthesis of Phenolic Esters
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Syntheses of five esters were carried out with CALB (addition of 5% by weight of substrates) as biocatalyst. 4-Hydroxyphenylpropanoic acid alkyl esters were synthesized by reacting mentioned phenolic acid with alcohol (ethanol, 1-butanol, 1-hexanol, 1-octanol, and 1-decanol) in a molar ratio 1:1.5 (acid:alcohol). Reactions were carried out in flasks in methyl-tert-butyl ether at 37 °C (Figure 1). After the reaction, the enzyme was separated from the reactants by filtration, and the solvent was evaporated. Esters were purified using column chromatography, silica gel 60 (0.040-0.063 mm; 230-400 mesh) was used as a stationary phase, and a mixture of chloroform and methanol (9:1) was applied as a mobile phase. Subsequently, ester-containing fractions were dried with MgSO4, filtered, and the mixture of solvents was evaporated.
The 1 H NMR spectra were measured using Bruker AVANCE 300 MHz (USA) and CDCl3 was used as a solvent. Proton chemical shifts are reported below in ppm (δ) relative to tetramethylsilane (TMS) as an internal standard.
Ethyl 4-hydroxyphenylpropanoate 1 H NMR (300 MHz, CDCl3): δ 1.23 (3H, t, J = 7.3 Hz), 2.59 (2H, t, J = 7.8 Hz), 2.88 (2H, t, J = 7.8 Hz), 4.12 (2H, q, J = 6.6 Hz), 5.18 (1H, s), 6.70-6.80 (2H, m), 7.00-7.10 (2H, m).
The 1 H NMR spectra were measured using Bruker AVANCE 300 MHz (USA) and CDCl3 was used as a solvent. Proton chemical shifts are reported below in ppm (δ) relative to tetramethylsilane (TMS) as an internal standard.
Ethyl 4-hydroxyphenylpropanoate 1 H NMR (300 MHz, CDCl3): δ 1.23 (3H, t, J = 7.3 Hz), 2.59 (2H, t, J = 7.8 Hz), 2.88 (2H, t, J = 7.8 Hz), 4.12 (2H, q, J = 6.6 Hz), 5.18 (1H, s), 6.70-6.80 (2H, m), 7.00-7.10 (2H, m).
4
FTIR and NMR Characterization of Gelators
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FTIR measurements were performed with gelators in the non-selfassembled state in CHCl 3 ,i nt he gel state in D 2 O, and in dried condition for hydrogels 1 and 4 as well as for SWNT/GO nanocomposites (1-SWNT, 4-SWNT,a nd 4-GO) at room temperature. All the experiments were performed with aP erkinElmer Spectrum 100 FTIR spectrometer using KBr pellets (for CHCl 3 solutions and xerogels) or a1mm CaF 2 cell (for D 2 Ogels).
Temperature-and solvent-dependent 1 HN MR measurements
Te mperature-dependent 1 HNMR spectra of 1 and 4 were recorded on an Avance 300 MHz (Bruker) spectrometer at ac oncentration of 15 and 10 mg mL À1 ,r espectively,i nD 2 Oa tv arious temperatures (25-85 8C). Solvent-dependent 1 HNMR spectra of 1 and 4 were also recorded at the MGC for both 1 and 4 in various solvent ratios of D 2 Oand [D 6 ]DMSO.
Temperature-and solvent-dependent 1 HN MR measurements
Te mperature-dependent 1 HNMR spectra of 1 and 4 were recorded on an Avance 300 MHz (Bruker) spectrometer at ac oncentration of 15 and 10 mg mL À1 ,r espectively,i nD 2 Oa tv arious temperatures (25-85 8C). Solvent-dependent 1 HNMR spectra of 1 and 4 were also recorded at the MGC for both 1 and 4 in various solvent ratios of D 2 Oand [D 6 ]DMSO.
5
MRI Imaging of Tumor-Bearing Mice
6
NMR Spectroscopy and Photochemical Characterization
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1H and 13C NMR spectroscopic data were recorded at room temperature on a Bruker Avance 300 MHz or Bruker Avance 600 MHz spectrometer. CD3OD or CD3CN-D2O were used as deuterated solvent. TMS (1H NMR) or deuterated solvent itself (13C NMR) was used as internal reference. Chemical shifts were reported in ppm. Irradiation experiments were performed in a Rayonet RPR-100 photoreactor equipped with 12 lamps or a Luzchem reactor equipped with 8 lamps with the maximum output at ≈300 nm (1 lamp – 8 W). During the irradiations in the Rayonet reactor, the irradiated solutions were continuously purged with Ar and cooled by a tap water finger condenser. Solvents for the irradiations were of HPLC purity. Chemicals were purchased from the usual commercial sources and used as received. Solvents for chromatographic separations were used from the supplier (p.a. or HPLC grade) as is or were purified by distillation (CH2Cl2). Semipreparative HPLC separations were performed on a Varian Pro Star instrument equipped with a Phenomenex Jupiter C18 5μ 300A column, using CH3OH/H2O + TFA as eluent. HPLC–MS analyses were conducted on an Agilent 1200 Series machine equipped with a DAD detector and a mass spectrometer with a triple quadrupole Agilent 6420 device.
7
Purification and Characterization of Resveratrol Derivatives
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Resveratrol derivatives were purified according to a previous protocol [23 (link)] using silica gel column chromatography. The solvent used contained gradients of hexane/ethyl acetate/formic acid (90:10:2, 80:20:2, 70:30:2, and 60:40:2, v/v/v). Each fraction was collected and monitored by silica gel-coated TLC (hexane/ethyl acetate/formic acid, 3:3:0.12, v/v/v). Each purified compound was procured following solvent removal via evaporation under a stream of nitrogen or using vacuum rotary evaporation.
Proton nuclear magnetic resonance (1H NMR), correlation spectroscopy (COSY), and heteronuclear single-quantum correlation (HSQC) spectroscopy were used to identify their molecular structures and esterification position. All NMR data were collected on a Bruker Avance 300 MHz or/and 500 MHz (Bruker Biospin Co., Billerica, MA, USA), and data interpretation was performed with Topspin 3.0 with ICON and MestReNova (Mestrelab Research SL, Santiago De Compostela, Spain). The samples were dissolved at a concentration of 25 mg/mL in DMSO-d6 containing TMS as internal standard. The results were confirmed by comparing the chemical shifts of resveratrol and its derivatives.
Proton nuclear magnetic resonance (1H NMR), correlation spectroscopy (COSY), and heteronuclear single-quantum correlation (HSQC) spectroscopy were used to identify their molecular structures and esterification position. All NMR data were collected on a Bruker Avance 300 MHz or/and 500 MHz (Bruker Biospin Co., Billerica, MA, USA), and data interpretation was performed with Topspin 3.0 with ICON and MestReNova (Mestrelab Research SL, Santiago De Compostela, Spain). The samples were dissolved at a concentration of 25 mg/mL in DMSO-d6 containing TMS as internal standard. The results were confirmed by comparing the chemical shifts of resveratrol and its derivatives.
8
Characterization of Organic Compounds via NMR
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1H NMR spectra were recorded at 300 MHz with a Bruker AVANCE 300 MHz (BRUKER Inc., Beijing, China). DMSO-d6 (Energy Chemical., Shanghai, China) was used as a solvent, and Tetramethylsilane (TMS) (Energy Chemical., Shanghai, China) was used as an internal standard. The scanning range of the hydrogen spectrum was from –1 to 14 ppm. The 1H NMR spectra were processed and analyzed using MestReNova software [15 (link),16 (link)].
9
Multifunctional Nanocomposite Characterization
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All starting materials, reagents, and solvents were commercially available (purchased from Merck, Sigma-Aldrich, and Fluka companies) and used directly without further purification. SOLTEC SONICA 2400 MH S3 (300 W) instrument was used for ultrasonic irradiation. FT-IR spectra were recorded on Thermo Nicolet Nexus 670 spectrometer, and 1H NMR spectra were obtained by Bruker Avance 300 MHz and 400 MHz spectrometer. The crystalline structures of the prepared nanocomposites were analyzed by powder X-ray diffraction (PXRD) on a Philips PANalytical X'PertPro diffractometer (Netherlands) in 40 kV and 30 mA with a monochromatized Cu Kα radiation (λ = 1.5418 Å). The SEM images, EDX diagram, and elemental mapping obtained from FESEM-TESCAN MIRA3 electronic microscope. The TEM images were obtained from Zeiss EM10C-100 kV transmission electron microscope. The elemental analysis was carried out by inductively coupled plasma-optical emission spectrometry (Optima 7300DV ICP-OES). The magnetic properties of the prepared samples were measured using a vibrating sample magnetometer (Meghnatis Daghigh, Iran) under magnetic fields up to 20 kOe.
10
Characterization of Polymer Materials
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1H NMR spectra were recorded on a Bruker AVANCE 300 MHz or AVANCE II 600 MHz and the spectra were recorded at 300 K. Mass spectra were taken on a Bruker microTOF or amazon SL mass spectrometer. IR spectra were recorded on a JASCO FT/IR-4600 spectrometer. Gel permeation chromatography (GPC) measurements were conducted using a system consisting of a JASCO PU-2089 pump, a CO-2065 column oven, an RI-2031 refractive index detector, and a Shodex KD-804 (8.0 mm × 300 mm) column. DMF containing 10 mM LiBr was used as the eluent at a flow rate of 0.5 mL min−1 at 50 °C. Poly(methyl methacrylate) samples were used as standards. Transmittance was recorded using a JASCO V-550 UV-vis spectrometer. A 0.5 wt % polymer aqueous solution was filtered through a membrane filter (0.45 µm), then the transmittance of the sample solution was measured in a quartz cell (cell length: 10 mm) at 500 nm while heating at a rate of 0.5 °C min−1.
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