DOI: 10.5061/dryad.qrfj6q5v7
title: Gold nanochips with molecularly imprinted polymer coating for explosives sensing: Surface-enhanced Raman scattering approach

description: This research is aimed at developing a sensor that is both sensitive and
 selective for detecting explosives, and to examine its surface enhanced
 Raman scattering (SERS) response. Molecularly imprinted polymers (MIPs),
 commonly used as synthetic receptors in sensors for the selective
 detection of molecules without prior analytic treatments, have been
 combined with optical sensors. This integration, especially in combination
 with localized surface plasmon resonance (LSPR) technology, represents a
 promising strategy for identifying explosives. In this paper, a sensor
 based on a gold nanostructure array deposited onto a glass substrate (gold
 nanochip), followed by the fabrication of a MIP layer using the
 photochemical polymerization method with 4-nitrophenol (4-NP) as a
 template molecule, is considered. The selectivity of the sensor was
 assessed by comparing the SERS and LSPR responses against 4-NP and other
 chemical analogs of nitro-containing explosives. Notably, this technique
 not only ensures sensor selectivity, but is also capable of detecting
 analytes at concentrations as low as 100 μM.
description: # Gold nanochips with molecularly imprinted polymer coating for explosives
 sensing: Surface-enhanced Raman scattering approach Dataset DOI:
 [https://doi.org/10.5061/dryad.qrfj6q5v7](10.5061/dryad.qrfj6q5v7) ##
 Description of the data and file structure We have submitted our raw data
 and graphs of surface enhanced Raman scattering (SERS) spectral response
 of gold nanostructure (AuNS) arrays with (graph Fig4
 in **Fig_4_and_6.opju**) and without (graph Fig6 in **Fig_4_and_6.opju**)
 a molecularly imprinted polymer (MIP) to the addition of an analyte
 molecule 4-nitrophenol (4-NP), as well as similar SERS spectral response
 data of AuNS–MIP sensor to other chemical analogues of explosives
 (**Fig_5.opju**). We have also added localized surface plasmon resonance
 (LSPR) spectra for MIP selectivity comparison (**Fig_7.opju**). All data
 files were created in OriginPro 2018 (b9.5.1.195). To open an .opju file,
 you need a version of [OriginLab](https://www.originlab.com/) software
 (2018 or later) or the free [Origin
 Viewer](https://www.originlab.com/viewer/) from OriginLab. ### Files and
 variables #### File: Fig_4_and_6.opju **Description:** File contains 3
 tables (**AuNS-MIP substrate**, **4-NP on AuNS-MIP substrate**, **4-NP on
 AuNS substrate**) and 2 graphs (**Fig4**, **Fig6**). Each of the 3 tables
 has 2 columns. The first column contains Raman shift values in cm-1, which
 correspond to a wavelength difference between the excitation wavelength
 and Raman scattering wavelength. The second column contains Raman
 scattering intensity measured in arbitrary (relative) units. Tables: *
 **AuNS-MIP substrate** contains SERS data for Raman scattering on a
 nanochip with gold nanostructures with a molecularly imprinted polymer and
 serves as a baseline for Fig4. * **4-NP on AuNS-MIP substrate** contains
 SERS data for Raman scattering on a nanochip with gold nanostructures
 *with* a molecularly imprinted polymer after addition of 4-NP, and is used
 in both Fig4 and Fig6 to compare the selectivity of MIP. * **4-NP on AuNS
 substrate** contains SERS data for Raman scattering on a nanochip with
 gold nanostructures *without* a molecularly imprinted polymer, after
 addition of 4-NP, and is used in Fig6. Graphs: * **Fig4** shows SERS
 spectra before (black) and after the addition of 100 µM 4-NP solution
 (red) onto the surface of the 4-NP-imprinted AuNS-MIP plasmonic sensor. *
 **Fig6** shows SERS spectra of 4-NP on the surface of Au nanochip without
 MIP coating (black) and Au nanochip with 4-NP-imprinted MIP coating (red).
 #### File: Fig_5.opju #### **Description:**  File contains 4 tables
 (**5NI**, **4NT**, **4NP**, **1NN**) and 1 graph (**Fig5**). Each of 4
 tables has 2 columns. The first column contains Raman shift values in
 cm-1, which correspond to a wavelength difference between excitation
 wavelength and Raman scattering wavelength. The second column contains
 Raman scattering intensity measured in arbitrary (relative) units. Tables
 **5NI**, **4NT**, **4NP**, **1NN** contains SERS data for Raman scattering
 on a nanochip with gold nanostructures with a molecularly imprinted
 polymer for each of corresponding molecules : 5-nitroisoquinoline (5-NI),
 4-nitrotoluene (4-NT), 4-nitrophenol (4-NP) and 1-nitronaphthalene (1-NN).
 Graph **Fig5** contains SERS spectra of the mentioned analytes on the
 surface of the 4-NP-imprinted AuNS-MIP plasmonic sensor. #### File:
 Fig_5_revision.opju **Description:**  File contains same tables and graph
 as **Fig_5.opju** with the exception of the **4NP** table, which was
 incorrect in the original draft and was changed during the revision
 process to the correct one. #### File: Fig_7.opju **Description:**  File
 contains 4 tables (**sample_1_center.absorb**, **sample_1_4NT.absorb**,
 **sample_1_4NP.absorb**, **Book1**) and 1 graph (**Graph1**). Tables
 contain raw data for LSPR absorbance of 4-NP imprinted AuNS-MIP nanochip
 in 3 points: * **sample_1_center.absorb** - MIP without any analytes *
 **sample_1_4NT.absorb** - MIP with a 4-NT droplet *
 **sample_1_4NP.absorb** - MIP with a 4-NP droplet. These tables contain 3
 main columns with data. The first column contains the spectrometer pixel
 index (starting from 0, with an increase step of 1). The second
 column contains the light wavelength in nanometers (nm). Third column
 contains absorbance intensity in optical density units. Table **Book1**
 contains summarized data from tables **sample_1_center.absorb**,
 **sample_1_4NT.absorb**, and **sample_1_4NP.absorb**. The first
 column contains light wavelength in nanometers (nm), columns 2-4 contain
 absorbance intensity in optical density units for *MIP*, *MIP+4NT*, and
 *MIP+4NP*, respectively. Graph **Graph1** shows light extinction spectra
 of AuNS-MIP plasmonic sensor for free 4-NP-imprinted MIP (black) and MIP
 with deposited 4-NP (blue) and 4-NT (red). Arrows indicate the LSPR peak
 positions.