rutin-wastewater-review-workflow/CITATION.cff at main · planttalks/rutin-wastewater-review-workflow · GitHub

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cff-version: 1.2.0
message: "If you use this workflow or its outputs, please cite both the associated manuscript and this repository."
type: software
title: "Computational Workflow for Mechanistic Prior Generation: Rutin at the Water-Plant-Virus Interface"
abstract: >
  Reproducible computational workflow (RDKit descriptor calculation, BioTransformer
  environmental microbial metabolism prediction, AutoDock Vina multi-ligand docking)
  supporting a critical mini-review on rutin at the water-plant-virus interface in
  nature-based wastewater treatment. The workflow provides mechanistic priors,
  identifies metabolic pathways, and quantifies ligand-binding potentials to guide
  future empirical LC-MS/MS and infectivity-based confirmation. All outputs are
  hypothesis-generating only and do not replace validation in complex matrices.
authors:
  - family-names: Zure
    given-names: Diaiti
    affiliation: "Department of Environmental Science and Engineering, Tunghai University, Taiwan"
  - family-names: Rahim
    given-names: Abdul
    affiliation: "Department of Environmental Science and Engineering, Tunghai University, Taiwan"
  - family-names: Kuo
    given-names: Hsion-Wen David
    affiliation: "Department of Environmental Science and Engineering, Tunghai University, Taiwan"
    email: hwkuo@thu.edu.tw
repository-code: "https://github.com/planttalks/rutin-wastewater-review-workflow"
license: MIT
version: "0.1.0"
date-released: "2026-03-27"
keywords:
  - rutin
  - flavonoid
  - wastewater treatment
  - constructed wetlands
  - antiviral phytoremediation
  - AutoDock Vina
  - BioTransformer
  - RDKit
  - molecular descriptors
  - four-barrier antiviral phytoremediation model
references:
  - type: article
    title: >
      Rutin at the Water–Plant–Virus Interface: A Critical Mini-Review
      for Nature-Based Wastewater Treatment
    authors:
      - family-names: Zure
        given-names: Diaiti
        affiliation: "Department of Environmental Science and Engineering, Tunghai University, Taiwan"
      - family-names: Rahim
        given-names: Abdul
        affiliation: "Department of Environmental Science and Engineering, Tunghai University, Taiwan"
      - family-names: Kuo
        given-names: Hsion-Wen David
        affiliation: "Department of Environmental Science and Engineering, Tunghai University, Taiwan"
        email: hwkuo@thu.edu.tw
    journal: "Bioresource Technology"
    publisher: "Elsevier"
    status: "with-editor"
    notes: >
      Submitted to Bioresource Technology (Elsevier), Special Issue
      "Nature-based Systems for Wastewater Treatment". Currently with editor
      (March 2026).
  - type: article
    title: >
      Insights of phytoremediation mechanisms for viruses based on in-vitro,
      in-vivo and in-silico assessments of selected herbal plants
    authors:
      - family-names: Zure
        given-names: Diaiti
      - family-names: Kuo
        given-names: Hsion-Wen David
      - family-names: Drizo
        given-names: Aleksandra
    journal: Chemosphere
    volume: 351
    year: 2024
    doi: "10.1016/j.chemosphere.2023.141101"