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Chemical Science, ISSN 2041-6520, 6/2012, Volume 3, Issue 7, pp. 2191 - 221
It has become common to reference "pi-stacking" forces or "pi-pi interactions" when describing the interactions between neighbouring aromatic rings. Here, we... 
AROMATIC-AROMATIC INTERACTIONS | HETERO-DUPLEXES | NEAR-SEQUENCE | AB-INITIO | SYNTHETIC RECEPTORS | MOLECULAR TORSION BALANCE | SIDE-CHAIN INTERACTIONS | DNA-BASE | SUPRAMOLECULAR HYDROGELS | CHEMISTRY, MULTIDISCIPLINARY | AQUEOUS-SOLUTION
Journal Article
Journal of Biomolecular Structure and Dynamics, ISSN 0739-1102, 05/2019, Volume 37, Issue 8, pp. 1923 - 1934
In the present work, the influence of Cu + binding to N3- and N7-positions of hypoxanthine on energetic, geometrical and topological properties of... 
DFT | hypoxanthine | DNA bases | mismatch | metal ion
Journal Article
Tetrahedron, ISSN 0040-4020, 07/2015, Volume 71, Issue 33, pp. 5260 - 5266
In this paper, we report a computational study of the influence of halogen bonds (XB) on the tautomerism of 9-methylguanine, a model of guanosine and GTP.... 
Halogen bonds | Tautomerism | 9-Methylguanine | DNA bases
Journal Article
Chemical Society reviews, ISSN 0306-0012, 02/2013, Volume 42, Issue 3, pp. 1379 - 1408
Charge and proton transfer reactions in the excited states of organic dyes can be coupled in many different ways. Despite the complementarity of charges, they... 
Protons | Thermodynamics | Energy Transfer | Kinetics | Coloring Agents - chemistry
Journal Article
Chemical Society Reviews, ISSN 0306-0012, 1/2013, Volume 42, Issue 3, pp. 1379 - 148
Journal Article
Chemical Communications, ISSN 1359-7345, 2018, Volume 54, Issue 76, pp. 10726 - 10729
We report a novel biosensor platform based on competitive non-covalent interaction between ssDNA and a mass tag towards AuNPs, which detects PSA biomarkers... 
GOLD NANOPARTICLES | DNA BASES | BIOSENSORS | PROSTATE-CANCER | BINDING | CHEMISTRY, MULTIDISCIPLINARY | PROBES
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 04/2014, Volume 10, Issue 4, pp. 1395 - 1405
Surface hopping dynamics methods using the coupled cluster to approximated second order (CC2), the algebraic diagrammatic construction scheme to second order... 
NONADIABATIC MOLECULAR-DYNAMICS | THE-IDENTITY APPROXIMATION | RESOLVED PHOTOELECTRON-SPECTROSCOPY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | COUPLED-CLUSTER METHODS | CHEMISTRY, PHYSICAL | QUANTUM-CLASSICAL DYNAMICS | ISOLATED DNA BASES | DENSITY-FUNCTIONAL THEORY | EXCITED-STATE DYNAMICS | MODEL CC2 | POLARIZATION PROPAGATOR
Journal Article
PLoS ONE, ISSN 1932-6203, 09/2014, Volume 9, Issue 9, pp. e106485 - e106485
Although chemotherapy-induced peripheral neuropathy (CIPN) is a dose-limiting side effect of platinum drugs, the mechanisms of this toxicity remain unknown.... 
INDUCED PERIPHERAL NEUROTOXICITY | NERVOUS-SYSTEM | OXIDATIVE STRESS | STRAND BREAK REPAIR | ROOT GANGLION NEURONS | INDUCED APOPTOSIS | MULTIDISCIPLINARY SCIENCES | CELL-CYCLE | APURINIC/APYRIMIDINIC ENDONUCLEASE | PLATINUM NEUROTOXICITY | SMALL-MOLECULE INHIBITOR | DNA Repair - drug effects | Peripheral Nervous System Diseases - chemically induced | Cells, Cultured | Rats | Male | Cisplatin - pharmacology | Organoplatinum Compounds - pharmacology | DNA-(Apurinic or Apyrimidinic Site) Lyase - genetics | Animals | Sensory Receptor Cells - drug effects | DNA-(Apurinic or Apyrimidinic Site) Lyase - metabolism | DNA Damage - genetics | Sensory Receptor Cells - metabolism | Carboplatin - pharmacology | Peripheral Nervous System Diseases - genetics | Chemotherapy | DNA damage | Analysis | DNA | Genetic research | Cisplatin | Neurophysiology | Cancer | Drugs | Cell culture | Pediatrics | Toxicity | Capsaicin | Cytotoxicity | AP endonuclease | Drug development | Peripheral neuropathy | DNA repair | Cancer therapies | Base excision repair | Vasodilation | Neurotoxicity | Toxicology | Oxaliplatin | Pain | Platinum | Rodents | Sensory neurons | Biocompatibility | Drug therapy | Repair | Damage | Deoxyribonucleic acid--DNA | Enzymes | Cell survival | Neurons | Pharmacology | Medicine | Calcitonin gene-related peptide | Bone cancer | Side effects | Cell death | Carboplatin | Redox factor-1 | DNA adducts | Endonuclease | Apoptosis | Index Medicus | Deoxyribonucleic acid
Journal Article
Chemosphere, ISSN 0045-6535, 06/2018, Volume 201, pp. 119 - 126
Because bisphenol A (BPA) and some of its analogs have been supposed to influence development of cancer, we have assessed the effect of BPA, bisphenol S (BPS),... 
Bisphenol A | Bisphenol AF | Bisphenol F | PBMCs | DNA bases lesions | UNITED-STATES | CYTOCHROME-P450 | ANALOGS | URINARY LEVELS | ENVIRONMENTAL SCIENCES | IN-VITRO | GENOTOXICITY | DAMAGE REPAIR | BISPHENOL-A | STRESS | DERIVATIVES | Index Medicus
Journal Article
Chemical Science, ISSN 2041-6520, 04/2014, Volume 5, Issue 4, pp. 1336 - 1347
In this paper we simulate the deactivation dynamics of photoexcited 6-thioguanine, a cytotoxic analogue of the canonical DNA/RNA base guanine, using a direct... 
WAVE-FUNCTIONS | LOWEST TRIPLET-STATE | DNA BASES | POTENTIAL-ENERGY SURFACES | AB-INITIO | NONRADIATIVE DECAY | PHOTODISSOCIATION DYNAMICS | INTRINSIC POPULATION | GAS-PHASE | CHEMISTRY, MULTIDISCIPLINARY | EXCITED-STATES | Deactivation | Simulation | Dynamics | Deoxyribonucleic acid | Spin-orbit interactions | Internal conversion | Sulfur | Dynamical systems
Journal Article