D.SIM-250304SWA-4

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Source data: samples-publish250325_D.SIM.xlsx

UID : D.SIM-250304SWA-4

File_PrimaryData : P1-G.out

Link_PrimaryData : https://zenodo.org/records/14968746/files/P1-G.out?download=1

Checksum_PrimaryData : 27bcde083a220990820cbcb8cdccf4b9

Scientist : Zhewen Guo

Software : Gausssian 09

Type : Density Functional Theory

Parent : CHM-250304SWA-10

MolecularStructure : https://zenodo.org/records/14968746/files/P1-G.png?download=1

Protocol : https://pubs.acs.org/doi/suppl/10.1021/acssensors.4c02462/suppl_file/se4c02462_si_001.pdf

TotalEnergy : -728.127446279

TotalEnergyUnits : Hartree

HOMOEnergy : 4.45831

HOMOEnergyUnits : eV

LUMOEnergy : 4.7528

LUMOEnergyUnits : eV

Charge : 0

Multiplicity : 1

LevelofTheory : OPT B3LYP/6-31G* EM=GD3

BasisSet : 6-31G*

Creators and Submitter

Creators

Not specified

Submitter

Charles Demurjian

Activity

Views: 14

Created: 25th Mar 2025 at 17:30

Last updated: 25th Mar 2025 at 17:50

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Charles Demurjian

Projects: Hi-IMPAcTB, MIT SRP, MetNet, Endometriosis, Cancer Systems Biology Consortium (CSBC)

Institutions: Massachusetts Institute of Technology

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NExtSEEK

No description specified

Projects: MIT SRP, Hi-IMPAcTB, MetNet, Endometriosis, Cancer Systems Biology Consortium (CSBC)

Web page: https://nextseek.mit.edu/

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MIT SRP

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Programme: NExtSEEK

Public web page: Not specified

Organisms: Not specified

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MIT SRP

No description specified

Submitter: Dikshant Pradhan

Studies: Benthic fluxes of fluorescent dissolved organic material, salt and heat ..., Colorimetric Detection of Aqueous N-Nitrosodimethylamine via Photonitros..., CometChip Enables Parallel Analysis of Multiple DNA Repair Activities, Excision of mutagenic replication-blocking lesions suppresses cancer but..., Interaction of N-Nitroamines with Bincuelar Copper Complexs for Luminsec..., Molecular origins of mutational spectra produced by the environmental ca..., Novel In Vivo CometChip Reveals NDMA-Induced DNA Damage and Repair in Mu..., Optical Detection of Interleukin-6 using Liquid Janus Emulsions using Hy..., Reversible Electrochemical Sensor for NDMA: Leveraging Molecularly Impri...

Assays: Absorption and Emission Spectroscopy - Data Linked, Absorption and Emission Spectroscopy Analysis - Data Linked, Agglutination Assay - Data Linked, All Metadata, All Metadata, Atomic Force Microscopy - Data Linked, Chemical Challenge - Metadata, Chemical Simulations - Data Linked, Chemical Synthesis - Metadata, Chemical Synthesis - Metadata, Chemical Synthesis - Metadata, Chemical Synthesis - Metadata, Comet Chip - Data Linked, Comet Chip Analysis - Data Attached, Comet Chip Analysis - Data Attached, Crystallography - Data Linked, Electrochemical Sensor Testing - Data Linked, Electron Paramagnetic Resonance - Data Linked, Extraction and Library Creation - Metadata, Field Water Sensor Run, Fourier Transform Infrared Spectroscopy - Data Linked, GPT Assay - Data Attached, GPT Assay – Data Attached, Gel Permeation Chromatography - Data Linked, Genome Alignment - Data Linked, High Resolution Mass Spectra - Data Linked, High Resolution Mass Spectra Analysis - Data Linked, Illumina Sequencing - Data Linked, Imaging - Data Linked, Mass Spectrometry Processing – Data Linked, Mass Spectrometry – Data Linked, Mouse Necropsy – Metadata, Mutational Spectral Analysis - Data Attached, Necropsy - Metadata, Nuclear Magnetic Resonance - Data Linked, Nuclear Magnetic Resonance Analysis - Data Linked, Nuclear Magnetic Resonance Spectroscopy - Data Linked, Nuclear Magnetic Resonance Spectroscopy - Data Linked, Nuclear Magnetic Resonance Spectroscopy Analysis - Data Linked, Nuclear Magnetic Resonance Spectroscopy Analysis - Data Linked, Pendant Drop Tensiometry - Data Linked, RaDR Image Machine Learning Analysis – Data Attached, Sensor Creation - Metadata, Single-crystal X-ray Crystallography - Data Linked, Tissue Collection - Metadata, Tissue Imaging – Metadata, Tissue Lysis – Metadata, UV-Vis Spectroscopy - Data Linked, UV-Vis Spectroscopy Analysis - Data Linked, X-ray Photoelectron Spectroscopy - Data Linked

Snapshots: No snapshots

Created: 29th Mar 2021 at 16:33

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Reversible Electrochemical Sensor for NDMA: Leveraging Molecularly Imprinted Polymers for Enhanced Sensitivity and Selectivity

MIT SRP

Zhewen Guo, Haosheng Feng, Timothy Swager

DOI: https://pubs.acs.org/doi/10.1021/acssensors.4c02462

Abstract: Herein, we present the development and evaluation of a molecularly imprinted polymer (MIP) sensor for the sensitive and selective detection of N-nitrosodimethylamine (NDMA) in aqueous environments. MIP coatings over electrochemically active electrodes enable NDMA detection with a notably low detection limit of 1.16 ppb. Our findings demonstrate that the ...

Submitter: Charles Demurjian

Investigation: MIT SRP

Assays: All Metadata, Atomic Force Microscopy - Data Linked, Chemical Simulations - Data Linked, Chemical Synthesis - Metadata, Electrochemical Sensor Testing - Data Linked, Sensor Creation - Metadata

Snapshots: No snapshots

Created: 4th Mar 2025 at 19:36, Last updated: 4th Mar 2025 at 20:22

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