Mapping the Convergence of Frontier Technologies for Major Environmental Challenges: A Chemical and Molecular Perspective on the Use of AI for Climate Action and Antimicrobial Resistance
Abstract
1. Introduction
2. Results and Analysis
3. Discussion
4. Future Research Trends
4.1. Deep Technological Convergence: From Parallel Platforms to Intelligent Hybrid Systems
4.1.1. Intelligent Biosensors and Real-Time Environmental Monitoring
4.1.2. Causal Predictive Modeling and Digital Twins
4.2. New Conceptual Frameworks: From One Health to Planetary Health and Circular Economy
4.2.1. Integrating AMR into Planetary Health Frameworks
4.2.2. Closing Cycles and the Pharmaceutical Circular Bioeconomy
4.3. Governance, Ethics, and Collaboration in a Globalized Science
4.3.1. Open, Federated, and Ethical Data Science
4.3.2. Inclusive Collaboration Networks and Scientific Diplomacy
4.4. Emerging Cross-Cutting Research Lines
- Development of Climate Smart Antimicrobials: The use of AI for the in silico design of new antimicrobials and phage therapies, considering from the outset their efficacy, low propensity to generate resistance, biodegradability, and minimal carbon footprint in production [59].
- Precision Agriculture for AMR Mitigation: The integration of remote sensors, satellite imagery analyzed with AI, and soil molecular profiles to optimize antimicrobial use in livestock and aquaculture, reducing emissions and selective pressure [60].
- Early Warning Systems for Epidemiological–Environmental Risk: The development of platforms that merge seasonal climate models, antimicrobial sales data, and environmental metagenomic surveillance to predict and geolocate outbreaks of resistant infections associated with extreme climate events [61,62].
4.5. Qualitative Synthesis of Key Chemical and Molecular Advances
4.5.1. Chemical Compounds and Families
4.5.2. Analytical Techniques and Molecular Methods
4.5.3. Nanomaterials and Advanced Materials
4.5.4. Integration of Artificial Intelligence with Chemical Data
4.5.5. Research Gaps and Opportunities
4.6. Genotypic Versus Phenotypic Methods for AMR Detection: Complementary Advantages and Application Scenarios
- Metabolic activity-based assays: These detect changes in bacterial metabolism (e.g., ATP production and redox activity) in the presence of antibiotics, enabling susceptibility determination within hours. A notable example is the development of microfluidic platforms that monitor bacterial growth at the single-cell level [59].
- DNA quantification following antibiotic exposure: Methods such as the one described in [64] quantify bacterial DNA via digital PCR after a brief incubation period with antibiotics, enabling phenotypic susceptibility determination in under 30 min.
- Microfluidic platforms and biosensors: Microfluidics has emerged as a key technology for integrating multiple functions (culture, antibiotic exposure, and detection) into compact devices, enabling high-throughput rapid phenotypic assays with minimal sample volumes [65,66]. These systems can be coupled with optical, electrochemical, or spectrometric detection to quantify bacterial response in real time.
5. Materials and Methods
5.1. Data Sources and Search Strategy
5.2. Data Extraction and Analysis
5.3. Selection of Documents for Impact Analysis
5.4. Eligibility Criteria and Quality Filtering
- Explicit chemical characterization: The use of analytical techniques (e.g., LC-MS/MS and GC-MS) for the identification and quantification of specific antimicrobial compounds or their transformation products in environmental matrices.
- Application of advanced molecular methods: The use of metagenomics, metatranscriptomics, or targeted qPCR for the profiling of antibiotic resistance genes (ARGs) and microbial communities.
- Validation of AI methodologies: A clear description of the AI/ML algorithms used, including validation strategies (e.g., cross-validation and independent test sets) for tasks such as resistance prediction or data integration.
- Integration of AI with chemical or molecular data: Studies that demonstrate a concrete fusion of AI techniques with chemical analysis (e.g., QSAR models and spectral analysis) or molecular datasets (e.g., multi-omics integration).
- Reproducibility and data availability: The inclusion of open-source code, data repositories, or detailed experimental protocols that enable replication of the computational or analytical workflow.
5.5. Construction of the Importance Matrix of Concepts (Figure 3)
5.6. Construction of the Strategic Map of Topics (Figure 4)
- Centrality (relevance): The sum of the normalized co-occurrence links between keywords in a given cluster and keywords in all other clusters. This metric indicates the extent to which a topic connects to other research areas.
- Density (development): The average strength of the co-occurrence links within a cluster. This metric reflects the internal cohesion and maturity of a research topic.
- Lower right (high centrality and low density): Basic and transversal themes.
- Upper left (low centrality and high density): Niche themes (highly specialized).
- Lower left (low centrality and low density): Emerging or declining themes.
6. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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| Title | Year | Cited By | Source Title | Authors | Document Type | Abstract | |
|---|---|---|---|---|---|---|---|
| 1 | Food Security, Safety, and Sustainability—Getting the Trade-Offs Right [24]. | 2020 | 275 | Frontiers in Sustainable Food Systems | Vågholm, L. et al. | Review | The United Nations’ Sustainable Development Goals include eradicating hunger and ensuring food security for an estimated 10 billion people by 2050 |
| 2 | Gammaproteobacteria, a core taxon in the guts of soil fauna, are potential responders to environmental concentrations of soil pollutants [25]. | 2021 | 95 | Microbiome | Zhang, Q. et al. | Article | Ubiquitous members of the gut microbiota are acquired from the environment and contribute to host health, and the gut microbiota of soil invertebrates is gradually assembled |
| 3 | NanoARG: A web service for detecting and contextualizing antimicrobial resistance genes from nanopore-derived metagenomes [26]. | 2019 | 92 | Microbiome | Arango-Argoty, G.A.; Dai, D. | Article | Direct and indirect selection pressures imposed by antibiotics as selective agents and horizontal gene transfer are fundamental drivers of evolution |
| 4 | Source identification of antibiotic resistance genes in a peri-urban river using novel crAssphage marker genes and metagenomic signatures [27]. | 2019 | 88 | Water Research | Chen, H.; Bai, X.; Li, Y.; Jin, M. | Article | Antimicrobial resistance is a growing public health concern, and the environment is regarded as an important reservoir for the dissemination of antibiotic resistance genes |
| 5 | Data Analytics for Environmental Science and Engineering Research [28]. | 2021 | 84 | Environmental Science and Technology | Gupta, S.; Aga, D.; Pruden, A. | Article | The advent of new data acquisition handling techniques has opened the door to alternative comprehensive approaches to environmental monitoring, thus improving our understanding |
| 6 | Advancing sustainable development goals through immunization: a literature review [29]. | 2021 | 84 | Globalization and Health | Decouttere, C.; De Boeck, K. | Article | Immunization directly impacts health (SDG3) and contributes to achieving Sustainable Development Goals (SDGs) 14 and 17 |
| 7 | Statistical and machine learning techniques in human microbiome studies: contemporary challenges and solutions [30]. | 2021 | 82 | Frontiers in Microbiology | Moreno-Indias, I.; Lahti, L. | Review | The human microbiome has emerged as a central research topic in human biology and biomedicine, and current microbiome studies have generated high-throughput data |
| 8 | Organic fertilization co-selects genetically linked antibiotic and metal(loid) resistance genes in global soil microbiome [31]. | 2024 | 78 | Nature Communications | Liu, Z.-T.; Ma, A.; Zhu, Y.-G. | Article | Antibiotic resistance genes (ARGs) and metal(loid) resistance genes (MRGs) coexist in organic fertilizer-based agroecosystems |
| 9 | Hospital discharges in urban sanitation systems: Long-term monitoring of wastewater resistome and microbiota in relationship to their eco-exposome [32]. | 2020 | 74 | Water Research X | Buelow, E.; Rico, A.; Gasco, L. | Article | Wastewaters are important sources of the dissemination of antimicrobial resistance (AMR) genes in the environment, and hospital wastewater contains high loads of micro-pollutants |
| 10 | Applications of Smart Technology as a Sustainable Strategy in Modern Swine Farming [33]. | 2022 | 72 | Sustainability (Switzerland) | Mahfuz, S.; Mun, H.-S.; D’Souza, D. | Article | The size of the pork market is increasing globally to meet the demand for animal protein, resulting in larger-sized swine farms |
| Author | ID Scopus | Primary Affiliation | Total Citations | Citations of Most Cited Document | Average Citations per Article | Number of Contributors |
|---|---|---|---|---|---|---|
| Zhu, Yongguan | 7406073704 | Institute of Urban Environment, Chinese Academy of Sciences, Beijing, China | 240 | 95 | 60 | 28 |
| Zhang, Qi | 55699339400 | ARC Centre of Excellence in Synthetic Biology, Macquarie University, Sydney, Australia | 185 | 95 | 46.25 | 29 |
| Zhang, Zhenyan | 57194409451 | Centre de Recerca Ecològica i Aplicacions Forestals (CREAF-CERCA), Barcelona, Spain | 172 | 95 | 57.33 | 19 |
| Qian, Haifeng | 35235046800 | Unknown | 172 | 95 | 57.33 | 19 |
| Peñuelas, Josep J. | 7006747772 | Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing | 162 | 95 | 54 | 24 |
| Pruden, Amy J. | 57049332700 | Virginia Tech College of Engineering, Blacksburg, VA, United States | 176 | 92 | 88 | 7 |
| Zhang, Liqing | 55709248500 | Virginia Tech College of Engineering, Blacksburg, VA, United States | 176 | 92 | 88 | 7 |
| Vikesland, Peter J. | 6603770862 | Virginia Tech College of Engineering, Blacksburg, VA, United States | 176 | 92 | 88 | 7 |
| Lu, Tao | 57224808283 | Universitat Autònoma de Barcelona, Barcelona, Spain | 118 | 95 | 59 | 12 |
| Zhu, Dong | 57190734423 | Universitat Autònoma de Barcelona, Barcelona, Spain | 91 | 78 | 45.5 | 16 |
| Country | Papers | Total Citations | Average Citations | Affiliations | Funded Papers | Funders | Impact (Citations/Paper) | |
|---|---|---|---|---|---|---|---|---|
| 1 | United States | 67 | 1116 | 16.66 | 67 | 45 | 14 | 16.66 |
| 2 | China | 48 | 651 | 13.56 | 48 | 39 | 5 | 13.56 |
| 3 | India | 33 | 180 | 5.45 | 33 | 15 | 5 | 5.45 |
| 4 | United Kingdom | 26 | 701 | 26.96 | 26 | 18 | 11 | 26.96 |
| 5 | Italy | 12 | 157 | 13.08 | 12 | 4 | 1 | 13.08 |
| 6 | Spain | 10 | 328 | 32.8 | 10 | 8 | 5 | 32.8 |
| 7 | Australia | 10 | 128 | 12.8 | 10 | 7 | 4 | 12.8 |
| 8 | Saudi Arabia | 8 | 93 | 11.62 | 8 | 6 | 1 | 11.62 |
| 9 | Germany | 8 | 172 | 21.5 | 8 | 6 | 5 | 21.5 |
| 10 | Canada | 6 | 120 | 20 | 6 | 5 | 6 | 20 |
| Source | Articles | H-Index | G-Index | M-Index | TC | NP | PY Start | Quartile (JCR 2024) |
|---|---|---|---|---|---|---|---|---|
| Science of the Total Environment | 12 | 9 | 12 | 1.5 | 450 | 12 | 2015 | Q1 |
| Frontiers in Microbiology | 10 | 7 | 10 | 1.0 | 320 | 10 | 2016 | Q1 |
| Antibiotics | 9 | 6 | 9 | 1.2 | 210 | 9 | 2018 | Q2 |
| Environmental Science & Technology | 8 | 7 | 8 | 1.0 | 580 | 8 | 2014 | Q1 |
| Water Research | 7 | 6 | 7 | 0.9 | 390 | 7 | 2013 | Q1 |
| Nature Communications | 5 | 5 | 5 | 0.8 | 620 | 5 | 2017 | Q1 |
| ACS Synthetic Biology | 4 | 4 | 4 | 0.8 | 185 | 4 | 2019 | Q1 |
| Microbiome | 4 | 4 | 4 | 0.6 | 210 | 4 | 2016 | Q1 |
| Journal of Hazardous Materials | 4 | 3 | 4 | 0.5 | 98 | 4 | 2018 | Q1 |
| Chemosphere | 3 | 3 | 3 | 0.4 | 76 | 3 | 2015 | Q2 |
| Aspect | Genotypic Methods | Rapid Phenotypic Methods |
|---|---|---|
| What they detect | Genetic potential for resistance | Functional expressed resistance |
| Main advantage | Identification of resistance mechanisms, molecular epidemiology, surveillance of emerging genes | Direct susceptibility determination, immediate clinical relevance |
| Limitation | Does not inform about expression; may yield false positives/negatives | May require prior culture; less mechanistic information |
| Optimal scenario | Epidemiological surveillance, environmental studies, detection of novel genes | Rapid clinical diagnosis, treatment guidance, point-of-care susceptibility testing |
| Integration with AI | Resistance prediction from genomic data (QSAR models, machine learning) | Image analysis, sensor signal processing, assay condition optimization |
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© 2026 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license.
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Rojas-Flores, S.J.; Liza, R.; Nazario-Naveda, R.; Díaz, F.; Delfin-Narciso, D.; Cardenas, M.G.; Cabanillas-Chirinos, L. Mapping the Convergence of Frontier Technologies for Major Environmental Challenges: A Chemical and Molecular Perspective on the Use of AI for Climate Action and Antimicrobial Resistance. Molecules 2026, 31, 1571. https://doi.org/10.3390/molecules31101571
Rojas-Flores SJ, Liza R, Nazario-Naveda R, Díaz F, Delfin-Narciso D, Cardenas MG, Cabanillas-Chirinos L. Mapping the Convergence of Frontier Technologies for Major Environmental Challenges: A Chemical and Molecular Perspective on the Use of AI for Climate Action and Antimicrobial Resistance. Molecules. 2026; 31(10):1571. https://doi.org/10.3390/molecules31101571
Chicago/Turabian StyleRojas-Flores, Segundo Jonathan, Rafael Liza, Renny Nazario-Naveda, Félix Díaz, Daniel Delfin-Narciso, Moisés Gallozzo Cardenas, and Luis Cabanillas-Chirinos. 2026. "Mapping the Convergence of Frontier Technologies for Major Environmental Challenges: A Chemical and Molecular Perspective on the Use of AI for Climate Action and Antimicrobial Resistance" Molecules 31, no. 10: 1571. https://doi.org/10.3390/molecules31101571
APA StyleRojas-Flores, S. J., Liza, R., Nazario-Naveda, R., Díaz, F., Delfin-Narciso, D., Cardenas, M. G., & Cabanillas-Chirinos, L. (2026). Mapping the Convergence of Frontier Technologies for Major Environmental Challenges: A Chemical and Molecular Perspective on the Use of AI for Climate Action and Antimicrobial Resistance. Molecules, 31(10), 1571. https://doi.org/10.3390/molecules31101571

