Instructions: Unzip Data_10.1021acsmaterialslett.3c00781.zip.

Date: 15 October 2023

Dataset Title: Research data supporting "Flexible Synthesis Scheme and Application of AuNP Surface-Conjugatable Meta-Iodobenzylguanidine Derivatives for Enhanced Cellular Internalization"

Dataset Creators: N. Potter,† A. McLean,†* E. Bornowski, T. Hopkins, J. Luo, J. Wolfe, W. Qian,* R. Kopelman

Dataset Contact: ammclean@umich.edu, wqian@imra.com

Funding: NIH R01CA186769

Key Points:
- In 10.1021/acsmaterialslett.3c00781 (manuscript DOI for this dataset), we report the synthesis and application of two metaiodobenzylguanidine (MIBG) derivatives decorated on the surface of AuNPs at high molar ratios; greatly enhanced cellular uptake is observed across neuroblastoma (NB), HeLa, and HEK cell lines
- This dataset consists of synthetic NMR and mass spec data for the small molecules and their intermediates, dark-field microscopy data, inductively-coupled plasma mass spectrometry data, and raw data for characterizing the AuNPs (TEM, DLS, zeta potential)

Methodology:
The data are organized figure-by-figure as reported in 10.1021/acsmaterialslett.3c00781. Detailed experimental protocols can be found in Supporting Information S1 of the manuscript (freely and publicly available), including synthesis of the MIBG derivatives, synthesis of the pulsed-laser ablation AuNPs, preparation of the decorated AuNPs, zeta potential measurements, cell culture, dark field microscopy, and quantitative inductively coupled plasma mass spectormetry (qICP-MS)


Instrument and/or Software specifications: 

.ppt - for creating art/compiling figures (.odp alternative is also provided for all .ppts)
.xls - Excel files, raw/processed data (.CSVs exported by sheet are also provided with comma delimiters)
.doc - Word files
.opju - raw/processed data in charts/graphs, need Origin software to open, freely available (no license required) Origin Viewer can be used, in all cases accompanies parent file
.mnova - NMR raw data files, need Mestrenova software to read
.cdx - ChemDraw files, need ChemDraw softare to open
.jpg, .png, .tiff, etc. - image files

Files Contained (organized by folder):

00_TOC: Table of contents image for manuscript (PPT/ODP)
01_Figure1: Figure 1 of manuscript, overview figure showing AuNP scheme (PPT/ODP)
02_Figure2: Figure 2 of manuscript, dark-field images (JPG/PNG)
03_Figure3: Figure 3 of manuscript, quantitative ICP-MS data in neuroblastoma (NB) cells of dMIBG/dBG derivatives (and PEGylated control), Excel (raw data), Origin (processed plots)
04_Figure4: Figure 4 of manuscript, quantitative ICP-MS data for 900:1 samples across NB, HeLa, and HEK cell lines (including DMI inhibitor experiments), Excel (raw data), Origin (processed plots)
05_Scheme1: ChemDraw file of synthetic scheme, (CDX)
06_SIData_Figs1-6: Compiled NMR data for dMIBG derivative (mNOVA), mass spec data of each compound (exported to MS Word)
07_SIData_Figs7-9: Compiled NMR data for dBG derivative (mNOVA), mass spec data of each compound (exported to MS Word)
08_SIFig10: TEM image of AuNPs (JPG)
09_SIFig11: Exported UV-Vis data of AuNP, PEGylated control, and dMIBG/dBG-conjugated sample (6000:1 dMIBG shown) (Excel/OPJU)
10_SIFig12: Exported DLS data of AuNP, PEGylated control, and dMIBG/dBG-conjugated sample (6000:1 dMIBG shown) (Excel/OPJU)
11_SIFig13: Exported Zeta potential data of dMIBG-conjugated AuNPs (0:1, 600:1, 1200:1, 2400:1, 4000:1) (Excel/OPJU, graphs exported to PPT/ODP)
12_SIFig14: Exported Zeta potential data of dBG-conjugated AuNPs (0:1, 600:1, 1200:1, 2400:1, 4500:1) (Excel/OPJU, graphs exported to PPT/ODP)

Use and Access: 
This data set is made available under Creative Commons 4.0.

To Cite Data: 
Potter, N. S., McLean, A., Bornowski, E. C., Hopkins, T., Luo, J., Wolfe, J. P., Qian, W., Kopelman, R. Research data supporting "Flexible Synthesis Scheme and Application of AuNP Surface-Conjugatable Meta-Iodobenzylguanidine Derivatives for Enhanced Cellular Internalization" [Data set], University of Michigan - Deep Blue Data. https://doi.org/10.7302/mzwr-sg74