Zobrazeno 1 - 10
of 6 159
pro vyhledávání: '"intermolecular interaction"'
Publikováno v:
Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-19 (2024)
Abstract An automated pipeline for comprehensive calculation of intermolecular interaction energies based on molecular force-fields using the Tinker molecular modelling package is presented. Starting with non-optimized chemically intuitive monomer st
Externí odkaz:
https://doaj.org/article/421537d8237e4a23b8151bb15a6f9eb2
Autor:
Luthfiyah Hana Afiyah, Dwi Hudiyanti, Muhammad Cholid Djunaidi, Vivitri Dewi Prasasty, Suci Zulaikha Hildayani, Parsaoran Siahaan
Publikováno v:
Jurnal Kimia Sains dan Aplikasi, Vol 27, Iss 4, Pp 160-166 (2024)
Carboxymethyl chitosan (CMCs) is a chitosan-derived compound usually used as a carrier matrix in drug delivery systems. There are three types of CMCs based on the location of carboxyl group substitution: N-CMCs, O-CMCs, and N,O-CMCs. The ability of C
Externí odkaz:
https://doaj.org/article/b1ba627d85934d3fb6b7f57fe8385ac7
Publikováno v:
Energy Reviews, Vol 3, Iss 3, Pp 100072- (2024)
Hydrogels are soft, highly absorbent and water-retaining polymers that are widely used in energy utilization. Molecular dynamics (MD) simulation is powerful in exploring micro/nano mechanisms and can assist material regulation and experimental design
Externí odkaz:
https://doaj.org/article/fca5fa73279444e6b813fa8df7f4107d
Publikováno v:
Shipin Kexue, Vol 45, Iss 6, Pp 285-293 (2024)
Myofibrillar protein (MP) is an important protein in muscle, which can form a three-dimensional gel network structure upon heat treatment, ultimately influencing the quality of meat products. In the meat industry, hydrocolloids from different are inc
Externí odkaz:
https://doaj.org/article/1d17776d3e464646a9b58b9c6ca9b7ed
Autor:
Yuqing Li, Xiang Guan, Yuanyuan Meng, Jingfu Chen, Junpeng Lin, Xi Chen, Chia‐Yun Liu, Yaping Zhao, Qin Zhang, Chengbo Tian, Jianxun Lu, Zhanhua Wei
Publikováno v:
InfoMat, Vol 6, Iss 5, Pp n/a-n/a (2024)
Abstract Due to their unique photoelectric properties, nontoxic tin‐based perovskites are emerging candidates for efficient near‐infrared LEDs. However, the facile oxidation of Sn2+ and the rapid crystallization rate of tin‐based perovskites re
Externí odkaz:
https://doaj.org/article/b8b1f6f13f0d4d90a0b017581577cfc1
Publikováno v:
Asian Journal of Pharmaceutical Sciences, Vol 19, Iss 2, Pp 100900- (2024)
Ionic liquids (ILs) have been proven to be an effective technology for enhancing drug transdermal absorption. However, due to the unique structural components of ILs, the design of efficient ILs and elucidation of action mechanisms remain to be explo
Externí odkaz:
https://doaj.org/article/a29bcae57b1a448d9f5304455cf36bd7
Publikováno v:
Shipin Kexue, Vol 44, Iss 22, Pp 200-210 (2023)
This study aimed at the epitope mapping and allergencity reduction of the wheat non-gluten allergen α-amylase inhibitor. Its linear epitopes were predicted by using bioinformatic prediction tools DNAstar, IMED, and IEDB. Six candidate epitopes were
Externí odkaz:
https://doaj.org/article/a3de8f21a668482caf47f10c73dc3a1a
Publikováno v:
Nanomaterials, Vol 14, Iss 17, p 1400 (2024)
Solar cells convert light energy directly into electricity using semiconductor materials. The ternary system, composed of poly(3-hexylthiophene) (P3HT), fullerene (C60), and phenyl-C61-butyric-acid-methyl-ester (PCBM), expressed as P3HT-C60-PCBM, is
Externí odkaz:
https://doaj.org/article/3075948b6f9d4b079fe9052aca01d725
Publikováno v:
Results in Chemistry, Vol 7, Iss , Pp 101514- (2024)
The 4-aminoantipyrine derivatives comprising both N- and O-donor modes generate novel coordination assemblies which tend to exhibit anti-tumor activities. Crystallographic study of 1,5-Dimethyl-4- [(2-oxo-1,2-diphenyl ethylidene) amino]-2-phenyl-1,2-
Externí odkaz:
https://doaj.org/article/ac50c1e21de3448ca6af34f0d7093f68
Publikováno v:
Journal of Wood Science, Vol 69, Iss 1, Pp 1-11 (2023)
Abstract Quinacridone, a π-conjugated planar molecule, and common red pigment in industrial and painting applications, easily aggregates to form large clusters of pigment particles, resulting in a reduction in color strength. Cotton-derived cellulos
Externí odkaz:
https://doaj.org/article/ca8cff7239a5454a9f4af6f14e152f6a