Evidence map›Paper›PMID 41006352›Full record

ArticleScientific reports2025

A computational dive into tuning nitrosourea adsorption on T-graphene nanosheets.

M Dehghanipour, Anjan Kumar, Prakash Kanjariya, M Manjula, Rishiv Kalia, Shaker Al-Hasnaawei, D S Jayalakshmi, Apurav Gautam, Gurumurthy Ramaiah

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Article in Scientific reports, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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1 · What the graph read from it

What it found

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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

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Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

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No citing paper in PubMed yet.

4 · The record

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5 · Who and what money

Authors and funding

9 authors.

M DehghanipourAdvanced Nano and Engineering MBM Innovation Lab, P. O. Box. 78164-18799, Sirjan, Iran.
Anjan KumarDepartment of Electronics and Communication Engineering, GLA University, Mathura, 281406, India.
Prakash KanjariyaDepartment of Physics, Faculty of Science, Marwadi University Research Center, Marwadi University, Rajkot, Gujarat, 360003, India.
M ManjulaDepartment of Physics and Electronics, School of Sciences, JAIN (Deemed to be University), Bangalore, Karnataka, India.
Rishiv KaliaCentre for Research Impact and Outcome, Chitkara University Institute of Engineering and Technology, Chitkara University, Rajpura, Punjab, 140401, India.
Shaker Al-HasnaaweiCollege of Pharmacy, The Islamic University, Najaf, Iraq.
D S JayalakshmiDepartment of Physics, Sathyabama Institute of Science and Technology, Chennai, Tamil Nadu, India.
Apurav GautamCentre for Research Impact and Outcome, Chitkara University Institute of Engineering and Technology, Chitkara University, Rajpura, Punjab, 140401, India.
Gurumurthy RamaiahFDRE Technical and Vocational Training Institute, Addis Ababa, Ethiopia. gurumurthy.ramaiah.eth@gmail.com.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

This study examines the adsorption of a nitrosourea (NU) drug molecule onto pristine and doped T-graphene (TG) nanosheets, specifically those doped with boron (BTG) and aluminum (AlTG), utilizing density functional theory (DFT) at the M06-2X/6-31 + G(d,p) level of theory. We investigated the geometric, electronic, and energetic properties of the resulting complexes, focusing on adsorption energies, HOMO-LUMO gaps (E

Indexed as

Density functional theoryDopingDrug deliveryNitrosoureaT-graphene

Identifiers

PMID41006352
PMCPMC12475107

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.