Select
MULTIDIMENSIONAL NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
Pei Fengkui, Liu Aizhuo, Zhang Shanrong
Chinese Journal of Magnetic Resonance, 1995, 12(4): 379-390.
Following the 50-year brilliant evolution of NMR techniques,the outlines of muitidimensional NMR,especially 2D NMR-the core of modern NMR spectrosocpy,are given in this nunireview article.The text falls into three sections.After a brief introduction of the Pulsc Fourier Tramform NMR,the fundainental mechanisms and experimental categories,as well as the extensive applications of 2D NMR are introduced in some detail in the next section.The insights into the design and the usage of the most useful 2D NMR pulse sequences,including COSY types,NOESY (ROESY),heteronuclear chemical shift correlation experiments are described with application examples adopted from our laboratory.Multiple quantum coherences,such as INADEQUATE and HMBC/HMQC are mentioned as well.Finally,foundational experimental methods and categories and enchanting perspectives of 3D/4D NMR in the fields of chemistry,biology and medicine are summarized in the third section.
Select
THE APPLICATIONS OF MOLECULAR MODELING IN NMR SPECTROSCOPY
Shen Lianfang, Zhang Xiaodong
Chinese Journal of Magnetic Resonance, 1995, 12(4): 405-412.
The aim of different physical chemical methods,both theoretical and experimental,is to correlate and underetand the macroscopic behavior and properties of molecular systems from their microscopic structures and interactions.It is well-known that NMR is one of the best methods to study the molecular conformtion in liquid state.However,molecular modeling is also one of the most effective way to interpret experimental data,forecast future results and understand the site of interaction of complex compounds.Computcr technology causes the two mentioned branches of science join together,giving the NMR results in a more direct and intuitive form of representation.It gives the results more theoretically reliable.In commemoration of the 50th annivereary of discovery of NMR signal in bulk materials,the present paper will covera brief introduction to this interdisciplinary field,including the applications and outlook of force field methods,semiempirical and ab initio quantum chemical calculations,molecular graphics display,NMR J coupling constants and NOE enhancement in the conformational analysis of molecular systems in solution.
Select
POLARIZATION TRANSFER IN SOLID STATE CPMAS NMR
Hiaoling Wu, Shanmin Zhang
Chinese Journal of Magnetic Resonance, 1995, 12(4): 429-438.
For normal organic solids,the heteronuclear dipolar interaction between the directly bonded S and I spins is stronger than the I-I coupling between the SIn groups and the other protons.As a result,the interactions in the SIn subsystem dominates the spin dynamics of the cross polarizatinn (CP) process.In the light of this new concept,theoretital studies and technical developments of polarization transfer under magic angle spinning (MAS) have leaped forward.Especially,a variety of new techniques have emerged to enbance the polarization transfer efficiency at high MAS speeds.The common feature of these approacbes is to modulate the phases or amplitudes of the radio frequency irradiations,while keeping the high MAS speeds unchanged.A series of spectral editing methods have been developed,which can generete four subspectra according to the proton multiplidties,i.e.the nonprotonated-C,methine,methylene,and methyl subspectra.This technique has been applied to a set of coal samples,where four types of signals orerlap completely in the normal CPMAS spectrum,and has yielded encouraging results.