English

Archive for 30.12.2016

Декабрь

В декабре выполнено 1938 заявок на сервисные измерения.

Измерено:

  • 1852 спектра 1H
  • 310 спектров 13C
  • 155 спектров DEPT
  • 22 спектра COSY
  • 15 спектров NOESY
  • 36 спектров 31Р
  • 28 спектров 19F

Выполнено 212 заявок на исследовательскую работу.

Статьи пользователей 2016


На протяжении 2016-го года мы 48 раз делились информацией о вышедших статьях с использованием данных, полученных в РЦ МРМИ. Но за это время таких статей вышло 89! Информаацию о статьях не попавших в новости можно посмотреть в списке статей с благодарностями РЦ МРМИ за 2016 (49-89 строки).

Новогодний антураж


Спасибо нашим пользователям за создание праздничного оформления образцов!

Cтуденты Технологического института

источник: http://technolog.edu.ru/

В рамках чтения курса Константина Николаевича Семенова РЦ МРМИ посетили студенты из Технологического института. Цель экскурсии: ознакомление с различными методами анализа веществ и материалов. Михаил Вовк рассказал об основных аспектах практического применения спектроскопии ЯМР и провел демонстрацию современных ЯМР спектрометров представленных в РЦ МРМИ.

Tetrahedron Letters, 2017, 58, 172–174

M.A. Kuznetsov, A.N. Shestakov, M. Zibinsky, M. Krasavin, C.T. Supuran, S. Kalinin, M. Tanç

“Synthesis, structure and properties of N-aminosaccharin – A selective inhibitor of human carbonic anhydrase I”

Tetrahedron Letters, 2017, 58, 172–174
DOI:10.1016/j.tetlet.2016.12.005

Previously unknown N-aminosaccharin was prepared in good yield via the one-step direct amination of saccharin sodium salt with hydroxylamine-O-mesitylenesulfonic acid (MSH) and its reactivity investigated. N-aminosaccharin and its derivatives were tested against hCA isoforms and the parent compound was identified to be a selective, low micromolar inhibitor (Ki = 8.8 lM) of hCA I. These findings provide a ligand-efficient starting point for the design of potent hCA I inhibitors – a promising drug target for retinal/cerebral edema treatment.

 

Molecules, 2016, 21, 1657-1/19

L. Sobczyk, D. Chudoba, P.M. Tolstoy, A. Filarowski

“Some Brief Notes on Theoretical and Experimental Investigations of Intramolecular Hydrogen Bonding”

Molecules, 2016, 21, 1657-1/19
DOI:10.3390/molecules21121657

A review of selected literature data related to intramolecular hydrogen bonding in ortho-hydroxyaryl Schiff bases, ortho-hydroxyaryl ketones, ortho-hydroxyaryl amides, proton sponges and ortho-hydroxyaryl Mannich bases is presented. The paper reports on the application of experimental spectroscopic measurements (IR and NMR) and quantum-mechanical calculations for investigations of the proton transfer processes, the potential energy curves, tautomeric equilibrium, aromaticity etc. Finally, the equilibrium between the intra- and inter-molecular hydrogen bonds in amides is discussed.

 

Ноябрь

В ноябре выполнено 1963 заявки на сервисные измерения.

Измерено:

  • 1883 спектра 1H
  • 329 спектров 13C
  • 144 спектра DEPT
  • 31 спектр COSY
  • 13 спектров NOESY
  • 107 спектров 31Р
  • 54 спектра 19F

Выполнено 206 заявок на исследовательскую работу.

J. Org. Chem., 2016, 81, 11268-11275

P. Golubev, E.A. Karpova, A.S. Pankova, M. Sorokina, M.A. Kuznetsov

“Regioselective Synthesis of 7‑(Trimethylsilylethynyl) pyrazolo [1,5‑a] pyrimidines via Reaction of Pyrazolamines with Enynones”

J. Org. Chem., 2016, 81, 11268-11275
DOI:10.1021/acs.joc.6b02217

Condensation of enynones readily available from cheap starting material with pyrazolamines provides easy access to fluorescent 7-(trimethylsilylethynyl)pyrazolo[1,5-a]pyrimidines. The reaction is straightforward, does not require the use of any additional reagents or catalysts, and can be performed without inert atmosphere. Various substituents and functional groups in both enynone and pyrazolamine are tolerated. The presented method features full regioselectivity, high isolated yields, and simplicity of both setup and product purification. Fluorescent properties of the obtained pyrazolopyrimidines were studied.

 

Beilstein J. Org. Chem., 2016, 12, 2563-2569

A.S. Pankova, P.R. Golubev, A.F. Khlebnikov, A.Yu. Ivanov, M.A. Kuznetsov

“Thiazol-4-one derivatives from the reaction of monosubstituted thioureas with maleimides: structures and factors determining the selectivity and tautomeric equilibrium in solution”

Beilstein J. Org. Chem., 2016, 12, 2563-2569
DOI:10.3762/bjoc.12.251

2-(Alkyl(aryl)amino)thiazol-4(5H)-ones can regioselectively be prepared from monoalkyl(aryl)thioureas and maleimides. In solution, the former heterocycles exist in a tautomeric equilibrium with 2-(alkyl(aryl)imino)thiazolidin-4-ones and the substituent on the exocyclic nitrogen atom governs the ratio of these tautomers. Isomers with the alkyl group in the endocyclic position can be obtained from N-methyl(ethyl)thioureas. 2D NMR spectroscopy and DFT calculations rationalize experimental results.