top of page

Publications

(Lab Members in Bold; *denotes equal contribution; #denotes corresponding author)

2024

Connecting Metabolome and Phenotype: Recent Advances in Functional Metabolomics Tools for the Identification of Bioactive Natural Products

Vitale GA*, Geibel C*, Minda V, Wang M#, Aron AT#, Petras D#

Natural Products Reports, 2024

A MassQL-Integrated Molecular Networking Approach for the Discovery and Substructure Annotation of Bioactive Cyclic Peptides

Berger T, Alenfelder J, Steinmueller S, Heimann D, Gohain N, Petras D, Wang M, Berger R, Kostenis E, Reher R#

Journal of Natural Products, 2024

A Taxonomically-informed Mass Spectrometry Search Tool for Microbial Metabolomics Data

Zuffa S, Schmid R, Bauermeister A, Gomes PWP, Caraballo-Rodriguez AM, Abiead YE, Aron AT, Gentry EC, Zemlin J, Meehan MJ, Avalon NE, Cichewicz RH, Buzun E, Terrazas MC, Hsu C, Oles R, Ayala AV, Zhao J, Chu H, Kuijpers MCM, Jackrel SL, Tugizimana F, Nephali LP, Dubery IA, Madala NE, Moreira EA, Costa-Lotufo LV, Lopes NP, Rezende-Teixeira P, Jimenez PC, Rimal B, Patterson AD, Traxler MF, Pessotti RdC, Alvarado-Villalobos D, Tamayo-Castillo G, Chaverri P, Escudero-Leyva E, Quiros-Guerrero L, Bory AJ, Joubert J, Rutz A, Wolfender J, llard P, Sichert A, Pontrelli S, Pullman BS, Bandeira N, Gerwick WH, Gindro K, Massana-Codina J, Wagner BC, Forchhammer K, Petras D, Aiosa N, Garg N, Liebeke M, Bourceau P, Kang KB, Gadhavi H, de Carvalho LPS, Santos MSd, Pérez-Lorente AI, Molina-Santiago C, Romero D, Franke R, Brönstrup M, Ponce de Leon AV, Pope PB, La Rosa SLL, Barbera GL, Roager HM, Laursen MF, Hammerle F, Siewert B, Peintner U, Licona-Cassani C, Rodriguez-Orduña L, Rampler E, Hildebrand F, Koellensperger G, Schoeny H, Hohenwallner K, Panzenboeck L, Gregor R, O'Neill EC, Roxborough ET, Odoi J, Bale NJ, Ding S, Damsté JSS, Guan XL, Cui JJ, Ju K, Silva DB, Silva FMR, Silva GFd, Koolen HHF, Grundmann C, Clement JA, Mohimani H, Broders K, McPhail KL, Ober-Singleton SE, Rath CM, McDonald D, Knight R, Wang M, Dorrestein PC#

Nature Microbiology, 2024

2023

Open access repository-scale propagated nearest neighbor suspect spectral library for untargeted metabolomics

Bittremieux W#, Avalon NE, Thomas SP, Kakhkhorov SA, Aksenov AA, Portal Gomes PW, Aceves CM, Caraballo Rodríguez AM, Gauglitz JM, Gerwick WH, Jarmusch AK, Kaddurah-Daouk RF, Kang KB, Kim HW, Kondić T, Mannochio-Russo H, Meehan MJ, Melnik A, Nothias LF, O'Donovan C, Panitchpakdi M, Petras D, Schmid R, Schymanski EL, van der Hooft JJJ, Weldon KC, Yang H, Zemlin J, Wang M, Dorrestein PC#

Nature Communications, 2023

Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides

Hansen M*, Adamek M*, Iftime D, Petras D, Schuseil F, Grond S, Stegmann E#, Cryl M#, Ziemert N#

Nature Communications, 2023

Decoding the Molecular Interplay in the Central Dogma: An Overview of Mass Spectrometry-based Methods to Investigate Protein-Metabolite Interactions

Stincone P*, Naimi A*, Saviola A, Reher R#, Petras D#

Proteomics, 2023

Progress and challenges in exploring aquatic microbial communities using non-targeted metabolomics
Thukral M, Allen EA, Petras D#

The ISME Journal, 2023

Evaluation of Data Dependent MS/MS Acquisition Parameters for Non-Targeted Metabolomics and Molecular Networking of Environmental Samples - Focus on the Q Exactive Platform
Stincone P, Pakkir Shah AK, Schmid R, Graves L, Lambidis SP, Torres R, Xia SN, Minda V, Aron A, Wang M, Hughes C, Petras D#

Analytical Chemistry, 2023

Portosystemic shunt placement reveals blood signatures for the development of hepatic encephalopathy through mass spectrometry

Dantas Machado AC, Flores Ramos S, Gauglitz JM, Fassler AM, Petras D, Aksenov A, Kim UB, Lazarowicz M, Giustini AB, Aryafar H, Vodkin I, Warren C, Dorrestein PC, Zarrinpar A, Zarrinpar A#

Nature Communications, 2023

Microbiomes and metabolomes of dominant coral reef primary producers illustrate a potential role for immunolipids in marine symbioses

Mannochio-Russo H#,*, Swift SOI#,*, Nakayama KK, Wall CB, Gentry EC, Panitchpakdi M, Caraballo-Rodriguez AM, Aron AT, Petras D, Dorrestein K, Dorrestein TK ,Williams TM , Nalley EM, NAltman-Kurosaki NT, Martinelli M, Kuwabara JY, Darcy JL, Bolzani VS, Wegley Kelly L , Mora C, Yew JY, Amend AS, McFall-Ngai M, Hynson NA , Dorrestein PC , Nelson CE
Communications Biology, 2023

Integrative analysis of multimodal mass spectrometry data in MZmine 3

Schmid R*, Heuckeroth S*, Korf A*, Smirnov A, Myers O, Dyrlund TS, Bushuiev R, Murray KJ, Hoffmann N, Lu M, Sarvepalli A, Zhang Z, Fleischauer M, Dührkop K, Wesner M, Hoogstra SJ, Rudt E, Mokshyna O, Brungs C, Ponomarov K, Mutabdžija L, Damiani T, Pudney CJ, Earll M, Helmer PO, Fallon TR, Schulze T, Rivas-Ubach A, Bilbao A, Richter H, Nothias LF, Wang M, Orešič M, Weng JK, Böcker S, Jeibmann A, Hayen H, Karst U, Dorrestein PC, Petras D, Du X, Pluskal T#

Nature Biotechnology, 2023

​Bacterial and chemical evidence of coastal water pollution from the Tijuana River in sea spray aerosol

Pendergraft MA#, Beldá-Ferre P, Petras D, Morris CK, Mitts BA, Aron AT, Bryant M, Schwartz T, Ackerman G, Humphrey G, Kaandorp E, Dorrestein PC, Knight R, Prather KA#

Environmental Science and Technology, 2023

2022

Spatial Venomics - Cobra Venom System Reveals Spatial Differentiation of Snake Toxins by Mass Spectrometry Imaging

Hemple BF*,#, Damm M*, Petras D, Kazandjian TD, Szentiks CA, Fritsch G, Nebrich G, Casewell NR, Klein O, Süssmuth RD#

Journal of Proteome Research, 2022

ConCISE: Consensus annotation propagation of ion features in untargeted tandem mass spectrometry combining molecular networking and CANOPUS

Quinlan Z, Koester I, Aron A, Petras D, Aluwihare LI, Dorrestein PC, Nelson CE, Wegley Kelly L#

Metabolites, 2022

Standardized multi-omics of Earth’s microbiomes reveals microbial and metabolite diversity

Shaffer JP*, Nothias LF*, Thompson LR*, Sanders JG, Salido RA, Couvillion SP, Brejnrod AD, Huang S, Franck Lejzerowicz F, Lutz HL, Zhu Q, Martino C, Morton JT, Karthikeyan S, Nothias-Esposito M, Dührkop K, Böcker S, Kim H, Aksenov AA, Bittremieux W, Minich JJ, Marotz C, Bryant MM, Sanders K, Schwartz T, Humphrey G, Vásquez-Baeza Y, Tripathi A, Parida L, Paola Carrieri A, Haiminen N, Beck KL, Das P, González A, McDonald D, Karst SM, Albertsen M, Ackermann G, DeReus J, Thomas T, Petras D, Shade A, Stegen J, Song SJ, Metz TO, Swafford AD, Dorrestein PC, Jansson JK, Gilbert JA, Knight R#

Nature Microbiology, 2022

Illuminating the dark metabolome of Pseudo-nitzschia-microbiome associations

Koester I, Quinlan Z, Nothias LF, White ME, Rabines A, Petras D, Brunson JK, Dührkop K, Ludwig M, Böcker S, Azam F, Allen AE, Dorrestein PC and Aluwihare LI#

Environmental Microbiology, 2022

Native Metabolomics Identifies the Rivulariapeptolide Family of Protease Inhibitors

Reher R, T Aron AT, Fajtová P, Stincone P, Wagner B, Perez-Lorente A, Liu C, Ben Shalom IY, Bittremieux W, Wang M, Matos-Hernandez ML, Alexander KL, Caro-Diaz EJ, Naman CB, William Scanlan JH, Hochban PMM, Diederich WE, Molina-Santiago C, Romero D, Selim K, Sass P, Brötz-Oesterhelt H, Hughes CC, Dorrestein PC, O'Donoghue AJ, Gerwick WH#, Petras D#

Nature Communications, 2022

Mass Difference Matching Unfolds Hidden Molecular Structures of Dissolved Organic Matter

Simon C#, Dührkop K, Petras D, Roth VN, Böcker S, Dorrestein PC, Gleixner G#

Environmental Science and Technology, 2022

Isotopic Insights into Organic Composition Differences between Supermicron and Submicron Sea Spray Aerosol

Crocker D, Kaluarachchi C, Cao R, Dinasquet J, Franklin E, Morris C, Amiri S, Petras D, Nguyen T; Torres R, Martz T, Malfatti F, Goldstein A, Tivanski Al, Prather K, Thiemens M#

Environmental Science and Technology, 2022

Bacillus subtilis biofilm matrix components target seed oil bodies to promote growth and anti-fungal resistance in melon

Berlanga-Clavero MV, Molina-Santiago C, Caraballo-Rodríguez AM, Petras D, Díaz-Martínez L, Pérez-García A, De Vicente A, Dorrestein PC, Romero D#

Nature Microbiology, 2022

Distinguishing the molecular diversity and energetic potential of exometabolomes produced by macroalgae and reef building corals

Wegley Kelly L*, Nelson CE*, Petras D, Koester I, Quinlan ZA, Arts MGI, Nothias LF, Comstock J, White BM, Hopmans EC, Van Duyl FV, Carlson CA, Aluwihare LI, Dorrestein PC and Haas AF#

Proceedings of the National Academy of Sciences, 2022

Applying Tissue Separation and Untargeted Metabolomics to Understanding Lipid Saturation Kinetics of Host Mitochondria and Symbiotic Algae in Corals Under High Temperature Stress

Gamba A, Petras D, Little MJ, White B, Dorrestein PC, Rohwer F, Foster RA, Hartmann AC#

Frontiers in Marine Science, 2022

Listeria monocytogenes exposed to antimicrobial peptides displays differential regulation of lipids and proteins associated to stress response

Stincone P, Fonseca Veras F, Micalizzi G, Donnarumma D, Vitale Celano G, Petras D, De Angelis M, Mondello L, Brandelli A#

Cellular and Molecular Life Sciences, 2022

The Sea Spray Chemistry and Particle Evolution Study (SeaSCAPE): Overview and Experimental Methods

Sauer J*, Mayer K*, Lee C, M Alves M, Amiri S, Bahaveolos C, Barnes E, Crocker D, Dinasqauet J, Garofalo L, Kaluarachchi C, Dang D, Kilgour D, Mael L, Mitts B, Moon D, Morris C, Moore A, Ni CM, Pendergraft M, Petras D, Simpson R, Smith S, Tumminello P, Walker J, Demott P, Farmer D, Goldstein A, Grassian V, Jaffe J, Malfatti F, Martz T, Slade J, Tivanski A, Bertram T, Cappa C, Prather K#

Environmental Science: Processes & Impacts, 2022

Diversity, metabolomics profiling and pharmacological potential of actinomycetes isolated from Estremadura Spur pockmarks (Portugal)

Pinto-Almeida A, Bauermeister A, Luppino L, Grilo IR, Oliveira J, Sousa JR, Petras D, Rodrigues CF, Prieto-Davó A, Tasdemir D, Sobral RG, Gaudêncio SP#

Marine Drugs, 2022

2021

Assessment of PPL solid phase extraction and non-targeted tandem mass spectrometry for the analysis of xenobiotics in seawater

Cancelada L*, Torres RR*, Garrafa Luna J, Dorrestein PC, Aluwihare L, Prather K, Petras D#

Limnology and Oceanography: Methods, 2021

GNPS Dashboard: collaborative exploration of mass spectrometry data in the web browser

Petras D, Phelan VV, Acharya DD, Allen AE, Aron AT, Bandeira N, Belle-Oudry D, Boecker S, Bowen BP, Cummings DA, Deutsch JM, Fahy E, Garg N, Gregor R, Handelsman J, Navarro-Hoyos M, Jarmusch AK, Jarmusch SA, Louie KB, Maloney KN, Marty MT, Meijler MM, Mizrahi I, Molina-Santiago C, Neve RL, Northen TR, Panitchpakdi M, Pullman B, Puri AW, Schmid R, Subramaniam S, Thukral M, Vasquez-Castro F, Dorrestein PC, Wang M#

Nature Methods, 2021

Siderophore-mediated zinc acquisition enhances enterobacterial colonization of the inflamed gut

Zhi H, Behnsen J, Aron A, Subramanian V, Liu J, Gerner R, Petras D, Green K, Price S, Camacho J, Hillman H, Tjokrosurjo J, Montaldo N, Hoover E, Treacy-Abarca S, Gilston B, Skaar E, Chazin W, Garneau-Tsodikova S, Lawrenz M, Perry R, Nuccio S, Dorrestein P, Raffatellu M#

Nature Communications, 2021

Combined molecular and elemental mass spectrometry approaches for absolute quantification of proteomes. Application to the venomics characterization of the two species of desert black cobras, Walterinnesia aegyptia and W. morgani

Calvete JJ#, Pla D, Els J, Carranza S, Damm M, Hempel DF, John EBO, Petras D, Heiss P, Nalbantsoy A, Göçmen G, Süssmuth RD, Calderón-Celis F, Jiménez Nosti A, Ruiz Encinar J

Journal of Proteome Research, 2021

Chemical Proportionality within Molecular Networks

Petras D#,*, Caraballo-Rodríguez AM*, Jarmusch AK, Molina-Santiago C, Gauglitz GM, Gentry EC, Belda-Ferre P, Romero D, Tsunoda SM, Dorrestein PC, Wang M#

Analytical Chemistry, 2021

Chemical interplay and complementary adaptative strategies toggle bacterial antagonism and co-existence

Molina-Santiago C, Vela-Corcia D, Petras D, Diaz-Martinez L, Perez-Lorente A, Sopena-Torres S Pearson JR, Caraballo-Rodriguez AM, Dorrestein PC, De Vicente A, Romero D#

Cell Reports, 2021

Molecular commerce on coral reefs: Using metabolomics to reveal biochemical exchanges underlying holobiont biology and the ecology of coastal ecosystems

Wegley Kelly L*, Nelson CE*, Aluwihare LI, Arts M, Dorrestein PC, Koester I, Marhaver K, Petras D, Quinlan ZAD, Haas AF#

Frontiers in Marine Science, 2021

Chemical Gradients of Plant Substrates in an Atta texana Fungus Garden

Caraballo-Rodríguez AM, Puckett SP, Kyle KE, Petras D, Da Silva R, Nothias LF, Ernst M, Van der Hooft JJJ, Tripathi A, Wang M, Balunas MJ, Klassen JL#, Dorrestein PC#

mSystems, 2021

Ion Identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment

Schmid R*, Petras D*, Nothias L*, Wang M, Aron AT, Jagels A, Tsugawa H, Rainer J, Garcia-Aloy M, Dührkop K, Korf A, Pluskal T, Kameník Z, Jarmusch AK, Caraballo-Rodríguez AM, Weldon K, Nothias-Esposito M, Aksenov AA, Bauermeister A, Albarracin Orio A, Grundmann CO, Vargas F, Koester I, Gauglitz JM, Gentry EC, Kalinina SA, Pendergraft MA, Panitchpakdi MW, Tehan R, Le Gouellec A, Aleti G, Mannochio Russo H, Arndt B, Hübner F, Hayen H, Zhi H, Raffatellu M, Prather KA, Aluwihare LI, Böcker S, McPhail KL, Humpf H, Karst U, Dorrestein PC#

Nature Communications, 2021

A Metabolic Choreography of Maize Plants Treated with a Humic Substance-Based Biostimulant under Normal and Starved Conditions

Othibeng K, Nephali L, Ramabulana AT, Steenkamp P, Petras D, Kang KB, Opperman H, Huyser J, Tugizimana F#

Metabolites, 2021

Three-dimensional molecular cartography of the Caribbean reef-building coral Orbicella faveolata

Little M#, George EE, Arts MGI, Shivak J, Huckeba J, Benler S, Quinlan ZA, Boscaro V, Mueller B, Cobián Güemes AGI, Rojas MI, White B, Petras D, Silveira CB, Haas AF, Wegley Kelly L, Vermeij M, Quinn RA, Keeling PJ, Dorrestein PC, Rohwer F, Roach TNF

Frontiers in Marine Science, 2021

A community resource for paired genomic and metabolomic data mining

Schorn MA, Verhoeven S, Ridder L, Huber F, Acharya DD, Aksenov A, Aleti G, Amiri Moghaddam J, Aron A, Aziz S, Bauermeister A, Bauman K, Baunach M, Beemelmanns C, Beman M, Berlanga-Clavero MV, Blacutt A, Bode H, Boullie A, Brejnrod A, Bugni TS, Calteau A, Cao L, Carrion VJ, Castelo-Branco R, Chanana S, Chase AB, Chevrette MG, Costa-Lotufo L, Crawford JM, Crüsemann M, Currie C, Cuypers B, Dang T, de Rond T, Demko AM, Dittmann E, Dorrestein PC, Du C, Drozd C, Dujardin J, Duncan KR, Dutton RJ, Edlund A, Fewer DP, Garg N, Gauglitz JM, Gentry E, Gerwick L, Glukhov E, Gross H, Gugger M, Guillén Matus DG, Helfrich EJN, Hempel B, Huber F, Hur J, Iorio M, Jensen PR, Kang KB, Kaysser L, Kelleher N, Kim CS, Koester I, König GM, Leao T, Lee SR, Lee Y, Li X, Little J, Metcalf WW, Maloney KN, Männle D, Martin H. C, McAvoy AC, Medema MH, Mohimani H, Molina-Santiago C, Moore BS, Mullowney MW, Muskat M, Nothias LF, O'Neill E, Parkinson EI, Petras D, Piel J, Pierce EC, Pires K, Reher R, Ridder L, Rogers S, Romero D, Roper MC, Rust M, Saad H, Saenz C, Sanchez LM, Schorn MA, Sørensen SJ, Sosio M, uessmuth R, Sweeney D, Tahlan K, Tobias N, Trindade-Silva AE, van der Hooft JJJ, van Wezel GP, Verhoeven S, Wang M, Weldon K, Zhang F, Ziemert N, Duncan K, Crüsemann M, Rogers S, Dorrestein PC#, Medema MH#, van der Hooft JJJ#

Nature Chemical Biology, 2021

Convergent Evolution of Pain-Inducing Defensive Venom Components in Spitting Cobras

Kazandjian TD*, Petras D*, Robinson SD*, van Thiel J, Greene HW, Arbuckle K, Barlow A, Carter DA, Wouters RM, Whiteley G, Wagstaff SC, Arias AS, Albulescu L-O, von Plettenberg Laing A, Hall C, Heap A, Penrhyn-Lowe S, McCabe CV, Ainsworth S, da Silva RR, Dorrestein PC, Richardson MK, Gutiérrez JM, Calvete JJ, Harrison RA, Vetter I, Undheim EAB, Wüster W, Casewell NR#

Science, 2021

Non-targeted tandem mass spectrometry enables the visualization of organic matter chemotype shifts in coastal seawater

Petras D#, Minich JJ, Cancelada L, Torres R, Kunselman E, Wang M, White ME, Allen EE, Prather K, Aluwihare LI, Dorrestein PC

Chemosphere, 2021

2020

Organic matter composition at Ocean Station Papa affects its bioavailability, bacterioplankton growth efficiency and the responding taxa

Stephens BM, Opalk K, Petras D, Liu S, Comstock J, Aluwihare LI, Hansell DA, Carlson CA#

Frontiers in Marine Science, 2020

Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra

Dührkop K, Nothias LF, Fleischauer M, Reher R, Ludwig M, Hoffmann MA, Petras D, Gerwick WH, Rousu J, Dorrestein PC, Böcker S#

Nature Biotechnology, 2020

Multiomics Analysis Provides Insight into the Laboratory Evolution of Escherichia coli toward the Metabolic Usage of Fluorinated Indoles

Agostini F, Sinn L, Petras D, Schipp CJ, Kubyshkin V, Berger AA, Dorrestein PC, Rappsilber J, Budisa N#, Koksch B#

ACS Central Science, 2020

Fungal–bacterial interaction selects for quorum sensing mutants with increased production of natural antifungal compounds

Albarracín Orio AG, Petras D, Tobares RA, Aksenov AA, Wang M, Juncosa F, Sayago P, Moyano AJ, Dorrestein PC#, Smania AM#

Communications Biology, 2020

Auto-deconvolution and molecular networking of gas chromatography–mass spectrometry data

Aksenov A, Laponogov I, Zhang Z, Doran S, Belluomo I, Veselkov D, Bittremieux W, Nothias-Esposito LF, Nothias M, Dorrestein KN, Maloney BB, Misra AV, Melnik KL, Jones K, Panitchpakdi M, Ernst M, Gonzalez JJ, Van der Hooft M, Carazzone C, Amézquita A, Callewaert C, Morton J, Quinn RA, Bouslimani A, Albarracin-Orio A, Petras D, Smania AM, Zink SP, Couvillion MC, Burnet CD, Nicora E, Artaev TO, Metz V, Humston-Fulmer E, Gregor R, Mizrahi MM, Meijler I, Eyal S, Anderson B, Lugan RJ, Dutton R, Guitton PL, Boulch Y, Prevost S, Poirier A, Dervilly G, Fait BL, 

Bizec A, Sikron N, Song C, Gashu K, Coras R, Guma M, Manasson J, Alseekh JU, Scher DK, Barupal S, Fernie A, 

Mirnezami AR, Fernie R, Vasiliou V, Schmid R, Knight R, Borisov LN, Kulikova R, Wang M, Hanna G, Dorrestein PC#, Veselkov K#

Nature Biotechnology, 2020

Feature-Based Molecular Networking in the GNPS Analysis Environment

Nothias LF*, Petras D*, Schmid R*, Dührkop K, Rainer J, Sarvepalli A, Protsyuk I, Ernst M, Tsugawa H, Aicheler F, Aksenov A, Alka O, Allard P, Cachet X, Barsch A, Caraballo-Rodriguez AM, Da Silva RR, Dang T, Nothias-Esposito M, Garg N, Gauglitz JM, Isaac G, Jarmusch AK, Kameník Z, Kang KB, Kessler N, Koester I, Le Gouellec A, Ludwig M, Martin C, McCall L, McSayles J, Meyer SW, Mohimani H, Morsy M, Moyne O, Neumann S, Neuweger H, Paolini J, Phelan VV, Pluskal T, Rogers S, Shrestha B, van der Hoft JJ, Vargas F, Weldon KC, Witting M, Yang H, Zhang Z, Zubeil F, Kohlbacher O, Böcker S, Alexandrov T, Bandeira N, Wang M#, Dorrestein PC#

Nature Methods, 2020

Database-independent molecular formula annotation using Gibbs sampling through ZODIAC

Ludwig M, Nothias LF, Dührkop K, Koester I, Fleischauer M, Hoffmann MA, Petras D, Vargas F, Morsy M, Aluwihare L, Dorrestein P, Böcker S#

Nature Machine Intelligence, 2020

ReDU: a framework to find and reanalyze public mass spectrometry data

Jarmusch AK, Wang M, Aceves CM, Advani RS, Aguire S, Aksenov AA, Aleti G, Aron AT, Bauermeister A, Bolleddu S, Bouslimani A, Caraballo-Rodriguez AM, Chaar R, Coras R, Elijah EO, Ernst M, Gauglitz JM, Gentry EC, Husband M, Jarmusch SA, Jones II KL, Kamenik Z, Gouellec AL, McCall L, McPhail KL, Meehan MJ, Melnik AV, Menezes RC, Montoya-Giraldo YA, Nguyen NH, Nothias LF, Nothias-Esposito M, Panitchpakdi M, Petras D, Quinn R, Sikora N, van der Hooft JJJ, Vargas F, Vrbanac A, Weldon K, Knight R, Bandeira N, Dorrestein PC#

Nature Methods, 2020

Reproducible Molecular Networking of Untargeted Mass Spectrometry Data Using GNPS

Aron AT, Gentry EC, McPhail KL, Nothias LF, Nothias-Esposito M, Bouslimani A, Petras D, Sikora N, Vargas F, van der Hooft JJJ, Ernst M, Kang KB, Aceves CM, Caraballo-Rodríguez AM, Koester I, Weldon KC, Bertrand S, Roullier C, Sun K, Tehan RM, Boya CA, Martin C, Gutiérrez M, Moreno Ulloa A, Tejeda Mora JA, Mojica-Flores R, Lakey-Beitia J, Vásquez-Chaves V, Zhang Y, Calderon AI, Tayler N, Keyzers RA, Tugizimana F, Ndlovu N, Aksenov AA, Jarmusch A, Schmid R, Truman AW, Bandeira N, Wang M, Dorrestein PC#

Nature Protocols, 2020

Mass spectrometry searches using MASST

Wang M, Jarmusch AK, Vargas F, Aksenov AA, Gauglitz JM, Weldon K, Petras D, Da Silva R, Quinn R, Melnik AV, Van der Hooft JJ, Caraballo-Rodríguez AM, Nothias LF, Aceves CM, Panitchpakdi M, Brown E, Di Ottavio F, Sikora N, Elijah EO, Labarta-Bajo L, Gentry EC, Shalapour S, Kyle KE, Puckett SP, Watrous JD, Carpenter CS, Bouslimani A, Ernst M, Swafford AD, Zúñiga EI, Balunas MJ, Klassen JL, Loomba R, Knight R, Bandeira N, Dorrestein PC#

Nature Biotechnology, 2020

2019

Solenodon genome reveals convergent evolution of venom in eulipotyphlan mammals

Casewell NR#, Petras D, Card DC, Suranse V, Mychajliw AM, Richards D, Koludarov I, Albulescu L-O, Slagboom J, Hempel B-F, Ngum NM, Kennerley RJ, Brocca JL, Whiteley G, Harrison RA, Bolton FMS, Debono J, Vonk FJ, Alföldi J, Johnson J, Karlsson EK, Lindblad-Toh K, Mellor IR, Süssmuth RD, Fry BG, Kuruppu S, Hodgson WC, Kool J, Castoe TA, Barnes I,  Sunagar K, Undheim EA, Turvey ST

Proceedings of the National Academy of Sciences, 2019

The emerging field of venom-microbiomics for exploring venom as a microenvironment, and the corresponding Initiative for Venom Associated Microbes and Parasites (iVAMP)

Ul-Hasan S, Rodríguez-Román E, Reitzel AM, Adams RMM, Herzig V, Trim SA, Saviola AJ, Nobile CJ, Stiers EE, Moschos SA, Keiser CN, Petras D, Moran Y, Colston TJ#

Toxicon: X, 2019

Intact protein mass spectrometry reveals intraspecies variations in venom composition of a local population of Vipera kaznakovi in Northeastern Turkey

Petras D*,#, Hempel BF*, Göçmen B, Karis M, Whiteley G, Wagstaff S, Heiss P, Casewell N, Nalbantsoy A#, Süssmuth RD#

Journal of Proteomics, 2019

Reproducible, interactive, scalable and extensible microbiome data science using QIIME 2

Bolyen E, Rideout JR, Dillon MR, Bokulich NA, Abnet C, Al-Ghalith GA, Alexander H, Alm EJ, Arumugam M, Asnicar F, Bai Y, Bisanz JE, Bittinger K, Brejnrod A, Brislawn CJ, Brown CT, Callahan BJ, Caraballo-Rodríguez AM, Chase J, Cope E, Da Silva R, Dorrestein PC, Douglas GM, Durall DM, Duvallet C, Edwardson CF, Ernst M, Estaki M, Fouquier J, Gauglitz JM, Gibson DL, Gonzalez A, Gorlick K, Guo J, Hillmann B, Holmes S, Holste H, Huttenhower C, Huttley G, Janssen S, Jarmusch AK, Jiang L, Kaehler B, Kang KB, Keefe CR, Keim P, Kelley ST, Knights D, Koester I, Kosciolek T, Kreps J, Langille MG, Lee J, Ley R, Liu Y, Loftfield E, Lozupone C, Maher M, Marotz C, Martin B, McDonald D, McIver LJ, Melnik AV, Metcalf JL, Morgan SC, Morton J, Naimey AT, Navas-Molina JA, Nothias LF, Orchanian SB, Pearson T, Peoples SL, Petras D, Preuss ML, Pruesse E, Rasmussen LB, Rivers A, Robeson, II MS, Rosenthal P, Segata N, Shaffer M, Shiffer A, Sinha R, Song SJ, Spear JR, Swafford AD, Thompson LR, Torres PJ, Trinh P, Tripathi A, Turnbaugh PJ, Ul-Hasan S, van der Hooft JJ, Vargas F, Vázquez-Baeza Y, Vogtmann E, von Hippel M, Walters W, Wan Y, Wang M, Warren J, Weber KC, Williamson CH, Willis AD, Xu ZZ, Zaneveld JR, Zhang Y, Knight R, Caporaso JG#

Nature Biotechnology, 2019

The extracellular matrix protects Bacillus subtilis colonies from Pseudomonas invasion and modulates plant co-colonization

Molina-Santiago C, Pearson J, Navarro-García Y, Berlanga-Clavero MV, Caraballo-Rodriguez AM, Petras D, García-Martín LM, Lamon G, Haberstein B, Cazorla FM, De Vicente A, Loquet A, Dorrestein PC, Romero D#

Nature Communications, 2019

Untargeted Mass Spectrometry-Based Metabolomics Approach Unveils Molecular Changes in Raw and Processed Foods and Beverages

Gauglitz JM, Aceves CM, Aksenov AA, Aleti G, Almaliti J, Bouslimani A, Brown EA, Campeau A, Caraballo-Rodríguez AM, Chaar R, da Silva RR, Demko AM, Di Ottavio F, Elijah E, Ernst M, Ferguson LP, Holmes X, van der Hooft JJ, Jarmusch AK, Jiang L,Kang KB, Koester I, Kwan B, Ni B, Li J, Li Y, Melnik AV, Molina-Santiago C, Oom AL, Panitchpakdi MW, Petras D, Quinn R, Sikora N, Spengler K, Teke B, Tripathi A, Ul-Hasan S, Vargas F, Vrbanac A, Vu AQ, Wang SC, Weldon K, Wilson K, Wozniak JM, Yoon M, Bandeira N, Dorrestein PC#

Food Chemistry, 2019

2018

The medical threat of mamba envenoming in sub-Saharan Africa revealed by genus-wide analysis of venom composition, toxicity and antivenomics profiling of available antivenoms

Ainsworth S*, Petras D*, Engmark M, Süssmuth RD, Whiteley G, Albulescu LO, Kazandjian TD, Wagstaff SC, Rowley P, Wüster W, Dorrestein PC, Arias AS, Gutiérrez JM, Harrison RA, Casewell NR, Calvete JJ#

Journal of Proteomics, 2018

Transcriptomics-guided bottom-up and top-down venomics of neonate and adult specimens of the arboreal rear-fanged Brown Treesnake, Boiga irregularis, from Guam

Pla D*, Petras D*, Saviola AJ*, Modahl CM*, Sanz L, Perez A, Juarez E, Frietze S, Dorrestein PC, Mackessy SP, Calvete JJ#

Journal of Proteomics, 2018

Tundrenone: An Atypical Secondary Metabolite from Bacteria with Highly Restricted Primary Metabolism

Puri AW*, Mevers E*, Ramadhar TR*, Petras D, Liu D, Piel J, Dorrestein PC, Greenberg P, Lidstrom ME, Clardy J#

Journal of the American Chemical Society, 2018

Aspergillus niger is a superior expression host for the production of bioactive fungal cyclodepsipeptides

Boecker S, Grätz S, Kerwat D, Adam L, Schirmer D, Richter L, Schütze T, Petras D, Süssmuth RD# and Meyer V#

Fungal Biology and Biotechnology, 2018

Molecular insights into antibiotic resistance: how a binding protein traps albicidin

Rostock L, Janke R, Grätz S, Kerwart D, Von Eckardstein L, Petras D, Kunert M, Alingns C, Schmitt FJ, Friedrich T, Wahl M, Loll B, Mainz A, Süssmuth RD#

Nature Communications, 2018

2017

High-resolution liquid chromatography tandem mass spectrometry enables large scale molecular characterization of dissolved organic matter

Petras D#, Koester I, Da Silva RR, Stephens B, Haas AF, Nelson CE, Kelly LW, Aluwihare LI, Dorrestein PC

Frontiers in Marine Science, 2017

Meta-mass shift chemical profiling of metabolomes from coral reefs

Hartmann AC, Petras D, Quinn RA, Protsyuk I, Archer FI, Ransome EJ, Williams GJ, Bailey B, Vermeij MJA, Alexandrov TA, Dorrestein PC, Rohwer FL#

Proceedings of the National Academy of Sciences, 2017

Total synthesis and biological assessment of novel albicidins discovered by mass spectrometric networking

Von Eckardstein L*, Petras D*, Dang T, Cociancich S, Sabri S, Grätz S, Kerwat D, Seidel M, Pesic A, Dorrestein PC, Royer M, Weston JB, Süssmuth RD#

Chemistry – A European Journal, 2017

From single cells to our planet - Recent advances in using mass spectrometry for spatially resolved metabolomics

Petras D*, Jarmusch A*, Dorrestein PC#

Current Opinion in Chemical Biology, 2017

Protein-species quantitative venomics: looking through a crystal ball

Calvete J#, Petras D, Calderón-Celis F, Lomonte B, Ruiz Encinar J, Sanz-Medel A

Journal of Venomous Animals and Toxins including Tropical Diseases, 2017

Natural Products as Mediators of Disease

Garg N*, Luzzatto-Knaan T, Melnik AV, Caraballo-Rodríguez AM, Floros DJ, Petras D, Gregor G, Dorrestein PC, Phelan VV*#

Natural Products Reports, 2017

Significance estimation for large scale metabolomics annotations by spectral matching

Scheubert K*, Hufsky F*, Petras D, Wang M, Nothias LF, Duehrkop K, Bandeira N, Dorrestein PC, Böcker S#

Nature Communications, 2017

Mass spectrometry based molecular 3D-cartography of plant metabolites

Floros DJ, Petras D, Kapono CA, Melnik AV, Ling TJ, Knight R, Dorrestein PC#

Frontiers in Plant Science, 2017

2016

Mass Spectrometry-Based Visualization of Molecules Associated with Human Habitats

Petras D*, Nothias L-F*, Quinn RA*, Alexandrov T, Bandeira N, Bouslimani A, Castro-Falcón G, Chen L, Dang T, Floros DJ, Hook V, Garg, N, Hoffner N, Jiang Y, Kapomo CA, Koester I, Knight R, Leber CA, Ling TJ, Luzzatto-Knaan T, McCall LI, McGrath AP, Meehan MJ, Merritt JK, Mills RH, Morton J, Podvin S, Protsyuk I, Purdy T, Satterfield K, Searles S, Shah S, Shires S, Steffen D, White M, Todoric J, Tuttle R, Wojnicz A, Sapp V, Vargas F, Yang J, Zhang C, Dorrestein PC#

Analytical Chemistry, 2016

The O-carbamoyltransferase Alb15 is responsible for the modification of albicidin

Petras D, Kerwat D, Pesic A, Hempel BF, Von Eckardstein L, Semsary S, Arasté J, Marguerettaz M, Cociancich S, Royer M, Süssmuth RD#

ACS Chemical Biology, 2016

Leader peptide-free in vitro reconstitution of microviridin biosynthesis enables design of synthetic protease-targeted libraries

Reyna-González E, Schmid B, Petras D, Süssmuth RD, Dittmann E#

Angewandte Chemie International Edition, 2016

Deuterium-labeled precursor feeding reveals a new pABA-containing meroterpenoid from the mango pathogen Xanthomonas citri pv. mangiferaeindicae

Saleh H, Petras D, Mainz A, Kerwat D, Nalbantsoy A, Erzurumlu Y, Süssmuth RD#

Journal of Natural Products, 2016

Biochemical dissection of the natural diversification of microcystin provides lessons for synthetic biology of NRPS

Meyer S*, Kehr JC*, Mainz A, Dehm D, Petras D, Süssmuth RD, Dittmann E#

Cell Chemical Biology, 2016

2015

Mass spectrometry guided venom profiling and bioactivity screening of the Anatolian Meadow Viper, Vipera anatolica

Gocmen B*, Heiss P*, Petras D, Nalbantsoy A, Süssmuth RD#

Toxicon, 2015

Minimum Information about a Biosynthetic Gene cluster

Medema MH#, Kottmann R, Yilmaz P, Cummings M, Biggins JB, Blin K, de Bruijn I, Chooi YH, Claesen J, Coates RC, Cruz-Morales P, Duddela S, Düsterhus S, Edwards DJ, Fewer DP, Garg N, Geiger C, Gomez-Escribano JP, Greule A, Hadjithomas M, Haines AS, Helfrich EJ, Hillwig ML, Ishida K, Jones AC, Jones CS, Jungmann K, Kegler C, Kim HU, Kötter P, Krug D, Masschelein J, Melnik AV, Mantovani SM, Monroe EA, Moore M, Moss N, Nützmann HW, Pan G, Pati A, Petras D, Reen FJ, Rosconi F, Rui Z, Tian Z, Tobias NJ, Tsunematsu Y, Wiemann P, Wyckoff E, Yan X, Yim G, Yu F, Xie Y, Aigle B, Apel AK, Balibar CJ, Balskus EP, Barona-Gómez F, Bechthold A, Bode HB, Borriss R, Brady SF, Brakhage AA, Caffrey P, Cheng YQ, Clardy J, Cox RJ, De Mot R, Donadio S, Donia MS, van der Donk WA, Dorrestein PC, Doyle S, Driessen AJ, Ehling-Schulz M, Entian KD, Fischbach MA, Gerwick L, Gerwick WH, Gross H, Gust B, Hertweck C, Höfte M, Jensen SE, Ju J, Katz L, Kaysser L, Klassen JL, Keller NP, Kormanec J, Kuipers OP, Kuzuyama T, Kyrpides NC, Kwon HJ, Lautru S, Lavigne R, Lee CY, Linquan B, Liu X, Liu W, Luzhetskyy A, Mahmud T, Mast Y, Méndez C, Metsä-Ketelä M, Micklefield J, Mitchell DA, Moore BS, Moreira LM, Müller R, Neilan BA, Nett M, Nielsen J, O'Gara F, Oikawa H, Osbourn A, Osburne MS, Ostash B, Payne SM, Pernodet JL, Petricek M, Piel J, Ploux O, Raaijmakers JM, Salas JA, Schmitt EK, Scott B, Seipke RF, Shen B, Sherman DH, Sivonen K, Smanski MJ, Sosio M, Stegmann E, Süssmuth RD, Tahlan K, Thomas CM, Tang Y, Truman AW, Viaud M, Walton JD, Walsh CT, Weber T, van Wezel GP, Wilkinson B, Willey JM, Wohlleben W, Wright GD, Ziemert N, Zhang C, Zotchev SB, Breitling R, Takano E, Glöckner FO

Nature Chemical Biology, 2015

What makes Xanthomonas albilineans unique amongst xanthomonads?

Pieretti I, Pesic A, Petras D, Royer M, Süssmuth RD, Cociancich S#

Frontiers in Plant Science, 2015

Venom proteomics of Indonesian king cobra, Ophiophagus hannah: integrating top-down and bottom-up approaches

Petras D#, Heiss P, Süssmuth RD and Calvete JJ#

Journal of Proteome Research, 2015

The gyrase inhibitor albicidin consists of para-aminobenzoic acids and cyanoalanine

Cociancich S*, Pesic A*, Petras D*, Uhlmann S, Kretz J, Schubert V, Vieweg L, Duplan S, Marguerettaz M, Noëll J, Pieretti I, Hügelland M, Kemper S, Mainz A, Rott P, Royer M#, Süssmuth RD#

Nature Chemical Biology, 2015

2009-2012

Hydrolysis of Fatty Acid Esters by Candida Antarctica Lipase B (Novozym435) Dissolved in Anhydrous Triethylamine

Braner M, Zielonka S, Grzeschik J, Krah S, Lieb S, Petras D, Wagner X, Ahmed I, Hüttenhain SH#

ChemCatChem, 2012

Snake venomics of African spitting cobras: toxin composition and assessment of congeneric cross-reactivity of the pan-African EchiTAb-Plus-ICP antivenom by antivenomics and neutralization approaches

Petras D, Sanz L, Segura A, Herrera M, Villalta M, Solano D, Vargas M, León G, Warrell DA, Theakston RD, Harrison RA, Durfa N, Nasidi A, Gutiérrez JM, Calvete JJ#

Journal of Proteome Research, 2011

bottom of page