فخرائیان, حسین
[ 1 ] - بررسی رابطه ساختار ـ فعالیت، دانسیته الکترونی و صورتبندی مشتقات فنتانیل
فنتانیل و مشتقات آن از مؤثرترین و کاربردی‌ترین ضد‌دردهای مخدر و نوع خاصی از اگونیست‌های گیرنده هستند. این ترکیبات به عنوان سلاح‌های شیمیایی غیر‌کشنده شناخته می‌شوند. تعداد زیادی از مشتقات فنتانیل با هدف بررسی رابطه ساختار فعالیت آنها و یافتن کاربردی‌ترین دارو با مناسب‌ترین خواص مانند تأثیر زیاد بدون اثرات جانبی (همچون ایست تنفسی و اعتیاد) سنتز شده‌اند. شناخته‌شده‌ترین مشتقات فنتنانیل عبارتند ...
[ 2 ] - سنتز و فرمولاسیون سیستم بایندر- نرم‌کننده NHTPB-NPB و بررسی خواص عملکردی آن در PBXN-109 اصلاح شده
In this work, nitration of low molecular weight polybutadiene (PB) by a convenient and inexpensive procedure has been investigated. The product (Nitropolybutadiene (NPB) energetic plasticizer) was characterized by FT-IR, 1H-NMR, GPC, TGA, DSC etc. Then NPB energetic polymer plasticizer and nitro-hydroxyl terminated polybutadiene (NHTPB) binder have been replaced with dioctyladiphate (DOA) inert...
[ 3 ] - Ternary Phase Diagram Modeling of Chiral Medetomidine Salts Using NRTL-SAC Model
Experimental determination of solubility and ternary phase diagram of chiral compound are of tedious and time consuming tasks, and in many cases, there is not enough experimental data for different enantiomeric compositions to access the experimental ternary phase diagram. Using thermodynamic models with predictive capability, having less dependency on experimental data, affords a great advanta...
[ 4 ] - Role of Hydrogen Transfer and Ionic Bonding on RR, SS and RS Medetomidine Conglomerates/Acids Stability: A Theoretical Study
This study focuses on RR, SS and RS medetomidine (MM) and inclusion of several achiral acids to distinguish which acid can help conglomerate formation instead of crystallizating racemic mixtures by defining the low-lying energy of their structures. Favorable orientation of acids was determined in interaction with the MM enantiomers after optimization. The most noticeable interactions include hy...
[ 5 ] - بررسی عوامل مؤثر در بهبود خواص عملکردی و حساسیتی MOFهای پرانرژی (HE-MOF)
High Energy Density Materials (HEDMs) are a new generation of high-energetic materials with high-performance and safety and consist of several different types with different properties. One category of this kind of HEDMs explosives are high energy metal organic frameworks (HE-MOFs) that have more appropriate performance and safety compared to conventional explosives (HEMs) and even other HEDMs....
[ 6 ] - سنتز 3،׳3- دی آمینو -4،׳4-آزوکسی فورآزان (DAAF) و نیتراسیون آن به منظور تهیه نمک‌های پرانرژی
3,3′-Diamino-4,4′-azoxyfurazan (DAAF) is an insensitive explosive and its safety characteristics (sensitivity to impact and friction) are similar to those of 2,4,6-triamino-1,3,5-trinitrobenzene (TATB). This compound has a high nitrogen content (52.7%) and its also suitable for use as a booster charge. DAAF-based explosive formulations, in addition of good performance, are also insensitive and ...
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