Research Output

2020

Augmented Polyhydrazone Formation in Water by Template-Assisted Polymerization using Dual-Purpose Supramolecular Templates

Zheng, K., He, C., Nour, H. F., Zhang, Z., Yuan, T., Traboulsi, H., Mazher, J., Trabolsi, A., Fang, L. & Olson, M. A., 2020, (Accepted/In press) In : Polymer Chemistry. p. doi.org/10.1039/C9PY01476D.

Research output: Contribution to journalArticle

Efficiently self-healing boronic ester crystals

Commins, P., Al-Handawi, M. B., Karothu, D. P., Raj, G. & Naumov, P., Mar 14 2020, In : Chemical Science. 11, 10, p. 2606-2613 8 p.

Research output: Contribution to journalArticle

Open Access

Efficient Screening for Ternary Molecular Ionic Cocrystals using a Complementary Mechanosynthesis and Computational Structure Prediction Approach

Shunnar, A. F., Dhokale, B., Karothu, D. P., Bowskill, D. H., Sugden, I. J., Hernandez, H. H., Naumov, P. & Mohamed*, S., 2020, (Accepted/In press) In : Chemistry - A European Journal. p. doi.org/10.1002/chem.201904672.

Research output: Contribution to journalArticle

Efficient Screening for Ternary Molecular Ionic Cocrystals Using a Complementary Mechanosynthesis and Computational Structure Prediction Approach

Shunnar, A. F., Dhokale, B., Karothu, D. P., Bowskill, D. H., Sugden, I. J., Hernandez, H. H., Naumov, P. & Mohamed, S., Apr 9 2020, In : Chemistry - A European Journal. 26, 21, p. 4752-4765 14 p.

Research output: Contribution to journalArticle

Open Access

Exploring exchange processes in proteins by paramagnetic perturbation of NMR spectra

Hunashal, Y., Cantarutti, C., Giorgetti, S., Marchese, L., Molinari, H., Niccolai, N., Fogolari, F. & Esposito, G., Mar 21 2020, In : Physical Chemistry Chemical Physics. 22, 11, p. 6247-6259 13 p.

Research output: Contribution to journalArticle

Extraordinary anisotropic thermal expansion in photosalient crystals

Yadava, K., Gallo, G., Bette, S., Mulijanto, C. E., Karothu, D. P., Park, I. H., Medishetty, R., Naumov, P., Dinnebier, R. E. & Vittal, J. J., Jan 1 2020, In : IUCrJ. 7, p. 83-89 7 p.

Research output: Contribution to journalArticle

Open Access

Extraordinary anisotropic thermal expansion in photosalient crystals

Yadava, K., Gallo, G., Bette, S., Mulijanto, C. E., Karothu, D. P., Park, I-H., Medishetty, R., Naumov, P., Dinnebier*, R. E. & Jagadese J., V., 2020, In : IUCrJ. 7, p. 83—89.

Research output: Contribution to journalArticle

Global Performance Indices for Dynamic Crystals as Organic Thermal Actuators

Karothu, D. P., Halabi, J. M., Li, L., Colin-Molina, A., Rodríguez-Molina, B. & Naumov*, P., 2020, In : Advanced Materials. p. doi.org/10.1002/adma.201906216.

Research output: Contribution to journalArticle

Global Performance Indices for Dynamic Crystals as Organic Thermal Actuators

Karothu, D. P., Mahmoud Halabi, J., Li, L., Colin-Molina, A., Rodríguez-Molina, B. & Naumov, P., Jan 1 2020, (Accepted/In press) In : Advanced Materials. 1906216.

Research output: Contribution to journalArticle

Identifying aspirin polymorphs from combined DFT-based crystal structure prediction and solid-state NMR

Mathew, R., Uchman, K. A., Gkoura, L., Pickard, C. J. & Baias, M., Jan 1 2020, (Accepted/In press) In : Magnetic Resonance in Chemistry.

Research output: Contribution to journalArticle

Open Access

Measuring Cellular Ion Transport by Magnetoencephalography

Sharma, S. K., Vijay, S., Gore, S., Dore, T. M. & Jagannathan, R., Mar 3 2020, In : ACS Omega. 5, 8, p. 4024-4031 8 p.

Research output: Contribution to journalArticle

Open Access

Mechanically Responsive Crystals: Analysis of Macroscopic Strain Reveals "hidden" Processes

Desta, I. T., Chizhik, S. A., Sidelnikov, A. A., Karothu, D. P., Boldyreva, E. V. & Naumov, P., Jan 16 2020, In : Journal of Physical Chemistry A. 124, 2, p. 300-310 11 p.

Research output: Contribution to journalArticle

Physicochemical, bioactive and rheological properties of an exopolysaccharide produced by a probiotic Pediococcus pentosaceus M41

Ayyash, M., Abu-Jdayil, B., Olaimat, A., Esposito, G., Itsaranuwat, P., Osaili, T., Obaid, R., Kizhakkayil, J. & Liu, S-Q., 2020, In : Carbohydrate Polymers. 229, p. 115462 9 p.

Research output: Contribution to journalArticle

Remarkably efficient removal of toxic bromate from drinking water with a porphyrin-viologen covalent organic framework

Skorjanc, T., Shetty, D., Gándara, F., Ali, L., Raya, J., Das, G., Olson, M. A. & Trabolsi, A., Jan 1 2020, In : Chemical Science. 11, 3, p. 845-850 6 p.

Research output: Contribution to journalArticle

Open Access

Remarkably efficient removal of toxic bromate from drinking water with a porphyrin–viologen covalent organic framework

Skorjanc, T., Shetty, D., Ali, L., Gándara, F., Raya, J., Das, G., Olson, M. A. & Trabolsi*, A., 2020, In : Chemical Science. 11, p. 845—850.

Research output: Contribution to journalArticle

Structure-Mechanical Relationships in Polymorphs of an Organic Semiconductor (C4-NT3N)

Cappuccino, C., Catalano, L., Marin, F., Dushaq, G., Raj, G., Rasras, M., Rezgui, R., Zambianchi, M., Melucci, M., Naumov, P. & Maini, L., Feb 5 2020, In : Crystal Growth and Design. 20, 2, p. 884-891 8 p.

Research output: Contribution to journalArticle

Two-Photon Excitable Photoremovable Protecting Groups Based on the Quinoline Scaffold for Use in Biology

Hennig, A. L. K., Deodato, D., Asad, N., Herbivo, C. & Dore, T. M., Jan 17 2020, In : Journal of Organic Chemistry. 85, 2, p. 726-744 19 p.

Research output: Contribution to journalArticle

2019

A filled organic crystal as a hybrid large-bandwidth optical waveguide

Catalano, L., Commins, P., Schramm, S., Karothu, D. P., Rezqui, R., Hadef, K. & Naumov*, P., Jan 1 2019, In : Chemical Communications. 55, 34, p. 4921-4924

Research output: Contribution to journalArticle

An inter-subunit protein-peptide interface that stabilizes the specific activity and oligomerization of the AAA+ chaperone Reptin

Coufalova, D., Remnant, L., Hernychova, L., Muller, P., Healy, A., Kannan, S., Westwood, N., Verma, C. S., Vojtesek, B., Hupp, T. R. & Houston, D. R., May 15 2019, In : Journal of Proteomics. 199, p. 89-101 13 p.

Research output: Contribution to journalArticle

A polyrotaxanated covalent organic network based on viologen and cucurbit[7]uril

Das, G., Sharma, S. K., Prakasam, T., Gándara, F., Mathew, R., Alkhatib, N., Saleh, N., Pasricha, R., Olsen, J. C., Baias, M., Kirmizialtin, S., Jagannathan, R. & Trabolsi, A., Sep 6 2019, In : Communications Chemistry. 2, 106.

Research output: Contribution to journalArticle

Open Access

Assessing the effect of preservation in heart transplant protocol: cold ischemia versus normothermic perfusion

Cantarutti, C., Fogolari, F., Hunashal, Y., Ferrara, V., Caragnano, A., Beltrami, A. P., Livi, U., Sponga, S. & Esposito, G., 2019, In : Biomarkers & Applications. 3, p. 139 10 p.

Research output: Contribution to journalArticle

Open Access

Azobenzene-Equipped Covalent Organic Framework: Light-Operated Reservoir

Das, G., Prakasam, T., Addicoat, M. A., Sharma, S. K., Ravaux, F., Mathew, R., Baias, M., Jagannathan, R., Olson, M. A. & Trabolsi, A., Dec 4 2019, In : Journal of the American Chemical Society. 141, 48, p. 19078-19087 10 p.

Research output: Contribution to journalArticle

Bypassing Glutamic Acid Decarboxylase 1 (Gad1) Induced Craniofacial Defects with a Photoactivatable Translation Blocker Morpholino

O'Connor, M., Beebe, L. L., Deodato, D., Ball, R. E., Page, A. T., Vanleuven, A. J., Harris, K. T., Park, S., Hariharan, V., Lauderdale, J. D. & Dore, T., Jan 16 2019, In : ACS Chemical Neuroscience. 10, 1, p. 266-278 13 p.

Research output: Contribution to journalArticle

Characterization, bioactivities, and rheological properties of exopolysaccharide produced by novel probiotic Lactobacillus plantarum C70 isolated from camel milk

Ayyash, M., Abu-Jdayil, B., Itsaranuwat, P., Tamiello-Rosa, C., Abdullah, H., Esposito, G., Hunashal, Y., Obaid, R. S. & Hamed, F., 2019, In : International Journal of Biological Macromolecules.

Research output: Contribution to journalArticle

Charting a course for chemistry

Aspuru-Guzik, A., Baik, M. H., Balasubramanian, S., Banerjee, R., Bart, S., Borduas-Dedekind, N., Chang, S., Chen, P., Corminboeuf, C., Coudert, F. X., Cronin, L., Crudden, C., Cuk, T., Doyle, A. G., Fan, C., Feng, X., Freedman, D., Furukawa, S., Ghosh, S., Glorius, F. & 38 others, Jeffries-El, M., Katsonis, N., Li, A., Linse, S. S., Marchesan, S., Maulide, N., Milo, A., Narayan, A. R. H., Naumov, P., Nevado, C., Nyokong, T., Palacin, R., Reid, M., Robinson, C., Robinson, G., Sarpong, R., Schindler, C., Schlau-Cohen, G. S., Schmidt, T. W., Sessoli, R., Shao-Horn, Y., Sleiman, H., Sutherland, J., Taylor, A., Tezcan, A., Tortosa, M., Walsh, A., Watson, A. J. B., Weckhuysen, B. M., Weiss, E., Wilson, D., Yam, V. W. W., Yang, X., Ying, J. Y., Yoon, T., You, S. L., Zarbin, A. J. G. & Zhang, H., Apr 1 2019, In : Nature Chemistry. 11, 4, p. 286-294 9 p.

Research output: Contribution to journalArticle

Cryo_fit: Democratization of flexible fitting for cryo-EM

Kim, D. N., Moriarty, N. W., Kirmizialtin, S., Afonine, P. V., Poon, B., Sobolev, O. V., Adams, P. D. & Sanbonmatsu, K., Oct 1 2019, In : Journal of Structural Biology. 208, 1, p. 1-6 6 p.

Research output: Contribution to journalArticle

Crystalline Acylhydrazone Photoswitches with Multiple Mechanical Responses

Gupta, P., Panda, T., Allu, S., Borah, S., Baishya, A., Gunnam, A., Nangia, A., Naumov*, P. & Nath*, N. K., 2019, In : Crystal Growth and Design. 19, 5, p. 3039—3044.

Research output: Contribution to journalArticle

Design strategies and redox-dependent applications of insoluble viologen-based covalent organic polymers

Škorjanc, T., Shetty, D., Olson, M. A. & Trabolsi, A., Feb 20 2019, In : ACS Applied Materials and Interfaces. 11, 7, p. 6705-6716 12 p.

Research output: Contribution to journalArticle

Direct Quantification of Rapid and Efficient Single-Stroke Actuation by a Martensitic Transition in a Thermosalient Crystal

Khalil, A., Karothu, D. P. & Naumov*, P., Feb 27 2019, In : Journal of the American Chemical Society. 141, 8, p. 3371-3375 5 p.

Research output: Contribution to journalArticle

Erratum: Addendum: Synthesis and reactivity of precolibactin 886 (Nature chemistry (2019) 11 10 (890-898))

Healy, A. R., Wernke, K. M., Kim, C. S., Lees, N. R., Crawford, J. M. & Herzon, S. B., Dec 1 2019, In : Nature chemistry. 11, 12, 1 p.

Research output: Contribution to journalComment/debate

Open Access

Generalized Born radii computation using linear models and neural networks

Mahmoud, S. S. M., Esposito, G., Serra, G. & Fogolari, F., 2019, In : Bioinformatics.

Research output: Contribution to journalArticle

Green Oxidative Synthesis of Heterocyclic Compounds

Pankajakshan, S., Jul 2019, Green Oxidation in Organic Synthesis. John Wiley, p. 307-327 21 p.

Research output: Chapter in Book/Report/Conference proceedingChapter (peer-reviewed)

In Situ Monitoring of the Inhibition of Asphaltene Adsorption by a Surfactant on Carbon Steel Surface

Raj, G., Larkin, E., Lesimple, A., Commins, P., Whelan, J. & Naumov*, P., 2019, In : Energy & Fuels. 33, 3, p. 2030—2036.

Research output: Contribution to journalArticle

Is a Bent Crystal Still a Single Crystal?

Commins, P., Karothu, D. P. & Naumov, P., Jul 22 2019, In : Angewandte Chemie - International Edition. 58, 30, p. 10052-10060 9 p.

Research output: Contribution to journalArticle

Mapping the polymorphic transformation gateway vibration in crystalline 1,2,4,5-tetrabromobenzene

Zaczek, A. J., Catalano, L., Naumov, P. & Korter*, T. M., Feb 7 2019, In : Chemical Science. 10, 5, p. 1332-1341 10 p.

Research output: Contribution to journalArticle

Martensitic organic crystals as soft actuators

Li, L., Commins, P., Al-Handawi, M. B., Karothu, D. P., Halabi, J. M., Schramm, S., Weston, J., Rezgui, R. & Naumov*, P., Aug 21 2019, In : Chemical Science. 10, 31, p. 7327-7332 6 p.

Research output: Contribution to journalArticle

Open Access

Metal-Organic Self-Assembled Trefoil Knots for C - Br Bond Activation

Prakasam, T., Devaraj, A., Saha, R., Lusi, M., Brandel, J., Esteban-Gómez, D., Platas-Iglesias, C., Olson, M. A., Mukherjee, P. S. & Trabolsi, A., 2019, In : ACS Catalysis. 9, p. 1907—1914.

Research output: Contribution to journalArticle

NMR Crystallography

Baias, M., May 2019, In : Magnetic Resonance in Chemistry. 57, 5, 1 p.

Research output: Contribution to journalEditorial

Organic Chemistry-Online: Pushing the Limits with ChemDraw Direct

Pankajakshan, S., 2019, In : Australian Journal of Education in Chemistry . 77, p. 7-17 11 p.

Research output: Contribution to journalArticle

PH-Dependent fluorescence from firefly oxyluciferin in agarose thin films

Lui, N. M., Schramm*, S. & Naumov, P., Jan 21 2019, In : New Journal of Chemistry. 43, 3, p. 1122-1126

Research output: Contribution to journalArticle

Photorearrangement of Quinoline-Protected Dialkylanilines and the Photorelease of Aniline-Containing Biological Effectors

Deodato, D., Asad, N. & Dore, T. M., Jun 7 2019, In : Journal of Organic Chemistry. 84, 11, p. 7342-7353 12 p.

Research output: Contribution to journalArticle

Potent and selective in vitro and in vivo antiproliferative effects of metal-organic trefoil knots

Benyettou, F., Prakasam, T., Ramdas Nair, A., Witzel, I. I., Alhashimi, M., Skorjanc, T., Olsen, J. C., Sadler, K. C. & Trabolsi, A., Jun 21 2019, In : Chemical Science. 10, 23, p. 5884-5892 9 p.

Research output: Contribution to journalArticle

Open Access

Redox-Triggered Buoyancy and Size Modulation of a Dynamic Covalent Gel

Das, G., Nagaraja, S., Sridurai, V., Shinde, D. B., Addicoat, M., Prakasam, T., Gándara, F., Ravaux, F., Sharma, S. K., Nair, G. G., Lai, Z., Jagannathan, R., Olson, M. A. & Trabolsi, A., 2019, In : Chemistry of Materials. 31, 11, p. 4148—4155. 8 p.

Research output: Contribution to journalArticle

Self-assembly of stimuli-responsive imine-linked calix[4]arene nanocapsules for targeted camptothecin delivery

Shetty, D., Skorjanc, T., Olson, M. A. & Trabolsi, A., Aug 4 2019, In : Chemical Communications. 55, 60, p. 8876-8879 4 p.

Research output: Contribution to journalArticle

Shape-memory effects in molecular crystals

Ahmed, E., Karothu, D. P., Warren, M. & Naumov*, P., Aug 19 2019, In : Nature communications. 10, 1, p. 3723 3723.

Research output: Contribution to journalArticle

Open Access

Spatial Photocontrol of the Optical Output from an Organic Crystal Waveguide

Halabi, J. M., Ahmed, E., Catalano, L., Karothu, D. P., Rezqui, R. & Naumov*, P., 2019, In : Journal of the American Chemical Society. 141, 38, p. 14966—14970. 5 p.

Research output: Contribution to journalArticle

Structure elucidation of colibactin and its DNA cross-links

Xue, M., Kim, C. S., Healy, A. R., Wernke, K. M., Wang, Z., Frischling, M. C., Shine, E. E., Wang, W., Herzon, S. B. & Crawford, J. M., Sep 6 2019, In : Science. 365, 6457, aax2685.

Research output: Contribution to journalArticle

Structure–Mechanical Relationships in Polymorphs of an Organic Semiconductor (C4-NT3N)

Cappuccino, C., Catalano, L., Marin, F., Dushaq, G. H., Raj, G., Rasras, M., Rezqui, R., Zambianchi, M., Melucci, M., Naumov*, P. & Maini*, L., 2019, Crystal Growth and Design, p. doi.org/10.1021/acs.cgd.9b01281.

Research output: Contribution to specialist publicationArticle

Supramolecular Organization of Model Polycyclic Aromatic Molecules: Comparison of 2D and 3D Assemblies

Raj, G., Kikkawa, Y., Catalano, L., Pasricha, R., Norikane, Y. & Naumov*, P., Sep 5 2019, In : ChemNanoMat. 6, 1, p. 68—72. 5 p.

Research output: Contribution to journalArticle

Synthesis and reactivity of precolibactin 886

Healy, A. R., Wernke, K. M., Kim, C. S., Lees, N. R., Crawford, J. M. & Herzon, S. B., Oct 1 2019, In : Nature chemistry. 11, 10, p. 890-898 9 p.

Research output: Contribution to journalArticle