Физико-химические свойства кристаллов и растворов производных сульфонамида
Диссертация
Научная новизна. Впервые получены термодинамические характеристики процессов сублимации для производных сульфонамида. Выращены монокристаллы для 20 соединений, проведен их рентгеноструктурный анализ с расшифровкой кристаллических структур. Осуществлен сравнительный анализ упаковок молекул в кристаллах, их конформационных состояний, геометрии и топологии сеток водородных связей. Разработана модель… Читать ещё >
Содержание
- Список обозначений
- ОБЗОР ЛИТЕРАТУРЫ
- ГЛАВА I. СТРУКТУРНЫЕ И ФИЗИКО-ХИМИЧЕСКИЕ СВОЙСТВА ИССЛЕДУЕМЫХ ВЕЩЕСТВ
- 1. 1. Биологическая активность сульфонамидов
- 1. 2. Подходы к описанию сеток водородных связей
- 1. 3. Кристаллическое строение сульфонамидов
- 1. 4. Сублимационные и термофизические свойства сульфонамидов
- 1. 5. Физико-химические свойства растворов сульфонамидов
- 1. 6. Методы молекулярной механики
- ГЛАВА II. СРЕДЫ И РАСТВОРИТЕЛИ 46 II. 1. Водные буферные растворы с физиологическими значениями рН
- 11. 2. 1-Октанол
- 11. 3. Система «вода — 1 -октанол — лекарственное соединение»
- ГЛАВА III. ЭКСПЕРИМЕНТАЛЬНЫЕ МЕТОДЫ 53 III. 1. Метод переноса вещества инертным газом-носителем
- III. 1.1. Установка для измерения давления насыщенного пара молекулярных кристаллов
- III. 1.2. Расчет давления насыщенного пара и термодинамических параметров сублимации
- III. 2.3. Процедура пересчета экспериментальных значений энтальпий ^ ^ сублимации к стандартным условиям
- III. 2. Определение растворимости методом изотермического насыщения
- III. 5. Характеристика изучаемых веществ 66 РЕЗУЛЬТАТЫ И ОБСУЖДЕНИЕ
- IV. 1. Рентгеноструктурный анализ исследуемых кристаллов
- IV.
- 1. 1. Анализ сеток водородных связей 86 IV.2 Анализ фрагментарных вкладов в энергию кристаллических решеток
- IV. 3. Термодинамика сублимации сульфонамидов
- V. 1. Термодинамика процессов растворения и сольватации сульфонамидов в ^^ буфере рН 7.4 и 1-октаноле
- V. 2. Термодинамические характеристики процессов переноса молекул ^ сульфонамидов из буферной среды в 1 -октанол
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