PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 34635888-0 2021 Improving the surface hydrophobicity by the solvent effect to reduce the water erosion of the CL-20/TNT cocrystal explosive. Trinitrotoluene 100-103 epithelial membrane protein 1 Homo sapiens 94-99 34635888-2 2021 The CL-20/TNT cocrystal was chosen as the research object on account of its structural arrangement and weak intermolecular interactions. Trinitrotoluene 10-13 epithelial membrane protein 1 Homo sapiens 4-9 34635888-3 2021 A relatively extreme assumption that water molecules and the CL-20/TNT cocrystal existed as a solution system on the interface was proposed to investigate the influence mechanism. Trinitrotoluene 67-70 epithelial membrane protein 1 Homo sapiens 61-66 34635888-4 2021 CL-20/TNT-water interfacial models were constructed, based on four important stable surfaces predicted using crystal morphology theory. Trinitrotoluene 6-9 epithelial membrane protein 1 Homo sapiens 0-5 35408551-4 2022 By analyzing cross-peaks in the 2D IR spectra of TNT/CL-20, the intermolecular vibrational energy transfer process between TNT and CL-20 was calculated, and the conclusion was made that the vibrational energy transfer process between CL-20 and TNTII (TNTIII) is relatively slower than between CL-20 and TNTI. Trinitrotoluene 49-52 epithelial membrane protein 1 Homo sapiens 53-58 35506927-0 2022 Ab initio neural network MD simulation of thermal decomposition of a high energy material CL-20/TNT. Trinitrotoluene 96-99 epithelial membrane protein 1 Homo sapiens 90-95 35506927-7 2022 Specifically, the addition of TNT molecules in the CL-20/TNT co-crystal introduces intermolecular hydrogen bonds between CL-20 and TNT molecules in the system, thereby increasing the thermal stability of the co-crystal. Trinitrotoluene 30-33 epithelial membrane protein 1 Homo sapiens 51-56 35506927-7 2022 Specifically, the addition of TNT molecules in the CL-20/TNT co-crystal introduces intermolecular hydrogen bonds between CL-20 and TNT molecules in the system, thereby increasing the thermal stability of the co-crystal. Trinitrotoluene 30-33 epithelial membrane protein 1 Homo sapiens 121-126 35506927-7 2022 Specifically, the addition of TNT molecules in the CL-20/TNT co-crystal introduces intermolecular hydrogen bonds between CL-20 and TNT molecules in the system, thereby increasing the thermal stability of the co-crystal. Trinitrotoluene 57-60 epithelial membrane protein 1 Homo sapiens 51-56 35506927-7 2022 Specifically, the addition of TNT molecules in the CL-20/TNT co-crystal introduces intermolecular hydrogen bonds between CL-20 and TNT molecules in the system, thereby increasing the thermal stability of the co-crystal. Trinitrotoluene 57-60 epithelial membrane protein 1 Homo sapiens 121-126 35506927-7 2022 Specifically, the addition of TNT molecules in the CL-20/TNT co-crystal introduces intermolecular hydrogen bonds between CL-20 and TNT molecules in the system, thereby increasing the thermal stability of the co-crystal. Trinitrotoluene 131-134 epithelial membrane protein 1 Homo sapiens 51-56 35506927-7 2022 Specifically, the addition of TNT molecules in the CL-20/TNT co-crystal introduces intermolecular hydrogen bonds between CL-20 and TNT molecules in the system, thereby increasing the thermal stability of the co-crystal. Trinitrotoluene 131-134 epithelial membrane protein 1 Homo sapiens 121-126 35408551-4 2022 By analyzing cross-peaks in the 2D IR spectra of TNT/CL-20, the intermolecular vibrational energy transfer process between TNT and CL-20 was calculated, and the conclusion was made that the vibrational energy transfer process between CL-20 and TNTII (TNTIII) is relatively slower than between CL-20 and TNTI. Trinitrotoluene 49-52 epithelial membrane protein 1 Homo sapiens 131-136 35408551-4 2022 By analyzing cross-peaks in the 2D IR spectra of TNT/CL-20, the intermolecular vibrational energy transfer process between TNT and CL-20 was calculated, and the conclusion was made that the vibrational energy transfer process between CL-20 and TNTII (TNTIII) is relatively slower than between CL-20 and TNTI. Trinitrotoluene 49-52 epithelial membrane protein 1 Homo sapiens 234-239 35408551-4 2022 By analyzing cross-peaks in the 2D IR spectra of TNT/CL-20, the intermolecular vibrational energy transfer process between TNT and CL-20 was calculated, and the conclusion was made that the vibrational energy transfer process between CL-20 and TNTII (TNTIII) is relatively slower than between CL-20 and TNTI. Trinitrotoluene 49-52 epithelial membrane protein 1 Homo sapiens 293-298 35408551-4 2022 By analyzing cross-peaks in the 2D IR spectra of TNT/CL-20, the intermolecular vibrational energy transfer process between TNT and CL-20 was calculated, and the conclusion was made that the vibrational energy transfer process between CL-20 and TNTII (TNTIII) is relatively slower than between CL-20 and TNTI. Trinitrotoluene 123-126 epithelial membrane protein 1 Homo sapiens 53-58 35408551-4 2022 By analyzing cross-peaks in the 2D IR spectra of TNT/CL-20, the intermolecular vibrational energy transfer process between TNT and CL-20 was calculated, and the conclusion was made that the vibrational energy transfer process between CL-20 and TNTII (TNTIII) is relatively slower than between CL-20 and TNTI. Trinitrotoluene 123-126 epithelial membrane protein 1 Homo sapiens 131-136 35408551-4 2022 By analyzing cross-peaks in the 2D IR spectra of TNT/CL-20, the intermolecular vibrational energy transfer process between TNT and CL-20 was calculated, and the conclusion was made that the vibrational energy transfer process between CL-20 and TNTII (TNTIII) is relatively slower than between CL-20 and TNTI. Trinitrotoluene 123-126 epithelial membrane protein 1 Homo sapiens 234-239 35408551-4 2022 By analyzing cross-peaks in the 2D IR spectra of TNT/CL-20, the intermolecular vibrational energy transfer process between TNT and CL-20 was calculated, and the conclusion was made that the vibrational energy transfer process between CL-20 and TNTII (TNTIII) is relatively slower than between CL-20 and TNTI. Trinitrotoluene 123-126 epithelial membrane protein 1 Homo sapiens 293-298 35408551-5 2022 As the vibration energy transfer is the bridge of the intermolecular interactions, the weak intermolecular interactions were visualized using the IGMH method, and the results demonstrate that the intermolecular non-covalent interactions of TNT/CL-20 include van der Waals (vdW) interactions and hydrogen bonds, while the intermolecular non-covalent interactions of HMX/CL-20 are mainly comprised of vdW interactions. Trinitrotoluene 240-243 epithelial membrane protein 1 Homo sapiens 244-249 35408551-5 2022 As the vibration energy transfer is the bridge of the intermolecular interactions, the weak intermolecular interactions were visualized using the IGMH method, and the results demonstrate that the intermolecular non-covalent interactions of TNT/CL-20 include van der Waals (vdW) interactions and hydrogen bonds, while the intermolecular non-covalent interactions of HMX/CL-20 are mainly comprised of vdW interactions. Trinitrotoluene 240-243 epithelial membrane protein 1 Homo sapiens 369-374 35408551-6 2022 Further, we determined that the intermolecular interaction can stabilize the trigger bond in TNT/CL-20 and HMX/CL-20 based on Mayer bond order density, and stronger intermolecular interactions generally indicate lower impact sensitivity of energetic materials. Trinitrotoluene 93-96 epithelial membrane protein 1 Homo sapiens 97-102 30141424-2 2018 In this paper, cocrystals of HNIW (2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane, often referred to as CL-20) with TNT (2,4,6-trinitrotoluene) were synthesized using ethanol in a green chemical method. Trinitrotoluene 128-131 epithelial membrane protein 1 Homo sapiens 116-121 35424606-0 2022 CL-20/TNT decomposition under shock: cocrystalline versus amorphous. Trinitrotoluene 6-9 epithelial membrane protein 1 Homo sapiens 0-5 35424606-3 2022 The present work compares the response processes of a CL-20/TNT cocrystal structure and an amorphous structure under shock waves with different velocities. Trinitrotoluene 60-63 epithelial membrane protein 1 Homo sapiens 54-59 30141424-2 2018 In this paper, cocrystals of HNIW (2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane, often referred to as CL-20) with TNT (2,4,6-trinitrotoluene) were synthesized using ethanol in a green chemical method. Trinitrotoluene 133-154 epithelial membrane protein 1 Homo sapiens 116-121 24043545-0 2013 Easy methods to study the smart energetic TNT/CL-20 co-crystal. Trinitrotoluene 42-45 epithelial membrane protein 1 Homo sapiens 46-51 24043545-7 2013 The results show that the two components TNT and CL-20 are connected mainly by nitro-aromatic interactions, and nitro-nitro interactions. Trinitrotoluene 41-44 epithelial membrane protein 1 Homo sapiens 49-54