Conformations and coordination schemes of carboxylate and carbamoyl derivatives of the tetraazamacrocycles cyclen and cyclam, and the relation to their protonation …
M Meyer, V Dahaoui-Gindrey, C Lecomte… - Coordination Chemistry …, 1998 - Elsevier
This paper discusses and rationalizes the metal coordination pattern of 12-and 14-
membered tetraazamacrocyclic carboxylate and carbamoyl ligands based on the cyclen and …
membered tetraazamacrocyclic carboxylate and carbamoyl ligands based on the cyclen and …
New Synthesis of trans‐Disubstituted Cyclam Macrocycles – Elucidation of the Disubstitution Mechanism on the Basis of X‐ray Data and Molecular Modeling
G Royal, V Dahaoui‐Gindrey, S Dahaoui… - European journal of …, 1998 - Wiley Online Library
A new way to synthesize trans‐disubstituted cyclam tetraazamacrocycles 1 is reported. The
synthesis proceeds in three steps via the tricyclic 1, 4, 8, 11‐tetraazatricyclo [9.3. 1.14, 8] …
synthesis proceeds in three steps via the tricyclic 1, 4, 8, 11‐tetraazatricyclo [9.3. 1.14, 8] …
The fluorescence response of a structurally modified 4-aminophthalimide derivative covalently attached to a fatty acid in homogeneous and micellar environments
G Saroja, B Ramachandram, S Saha… - The journal of physical …, 1999 - ACS Publications
The photophysical properties of 11-(4-N, N-dimethylaminophthalimido) undecanoic acid
(DAPL), a surfactant covalently labeled with a fluorophore, in homogeneous and micellar …
(DAPL), a surfactant covalently labeled with a fluorophore, in homogeneous and micellar …
Quantum topological molecular similarity. Part 4. A QSAR study of cell growth inhibitory properties of substituted (E)-1-phenylbut-1-en-3-ones
SE O'Brien, PLA Popelier - Journal of the Chemical Society, Perkin …, 2002 - pubs.rsc.org
In this paper we apply a novel method called 'quantum topological molecular
similarity'(QTMS) to a QSAR of antitumor activity of fifteen (E)-1-phenylbut-1-en-3-ones. The …
similarity'(QTMS) to a QSAR of antitumor activity of fifteen (E)-1-phenylbut-1-en-3-ones. The …
Relationship of hydrogen bonding energy with electrostatic and polarization energies and molecular electrostatic potentials for amino acids: an evaluation of the lock …
PS Kushwaha, PC Mishra - International Journal of Quantum …, 2000 - Wiley Online Library
Hydrogen bonding, electrostatic, and polarization energies were computed for hydrogen‐
bonded complexes of HF with each of the 20 natural amino acids and also for certain …
bonded complexes of HF with each of the 20 natural amino acids and also for certain …
Molecular electrostatic potential and field as descriptors of hydrogen bonding and molecular activity. Effects of hybridization displacement charge
Molecular electrostatic potential (MEP) and field (MEF) maps have been studied for certain
epoxides, ethers and nitriles. The MNDO method was used to optimize geometries of the …
epoxides, ethers and nitriles. The MNDO method was used to optimize geometries of the …
Synthesis of macropolycyclic ligands based on tetraazacycloalkanes
S Brandès, F Denat, S Lacour, F Rabiet… - European journal of …, 1998 - Wiley Online Library
A versatile synthesis of spherical macrobicyclic and cylindrical macrotricyclic ligands is
described using 1, 4, 8, 11‐tetraazacyclotetradecane (cyclam), 1, 4, 7, 10 …
described using 1, 4, 8, 11‐tetraazacyclotetradecane (cyclam), 1, 4, 7, 10 …
Prediction of the coordination scheme of lanthanide N-tetrasubstituted tetraazamacrocycles: an X-ray crystallography and molecular modeling study
C Lecomte, V Dahaoui-Gindrey, H Chollet… - Inorganic …, 1997 - ACS Publications
The synthesis and characterization of three lanthanide (Ce, Gd, Eu) complexes with the 1, 4,
8, 11-tetrakis-(2-carboxyethyl)-1, 4, 8, 11-tetraazacyclotetradecane ligand (TETP) are …
8, 11-tetrakis-(2-carboxyethyl)-1, 4, 8, 11-tetraazacyclotetradecane ligand (TETP) are …
A theoretical study of some new analogues of the anti-cancer drug camptothecin
The enzyme topoisomerase I (topo I), which is essential for cell replication, transiently
causes a DNA single strand break and makes a complex with it. The anti-cancer agent …
causes a DNA single strand break and makes a complex with it. The anti-cancer agent …
An optimized approach to compute hybridization displacement charge and a study of its effects on electrostatic potentials of some biologically important molecules
C Gopi Mohan, A Kumar… - International journal of …, 1996 - Wiley Online Library
Electrostatic potential maps of certain biologically important molecules (guanine, adenine,
cytosine, thymine, and two conformers of glycine) were studied employing a" hybridization …
cytosine, thymine, and two conformers of glycine) were studied employing a" hybridization …