Molecular modeling of a series of dehydroquinate dehydratase type II inhibitors of Mycobacterium tuberculosis and design of new binders
Sign Up to like & getrecommendations! Published in 2019 at "Molecular Diversity"
DOI: 10.1007/s11030-019-10020-1
Abstract: Abstract Tuberculosis, caused by Mycobacterium tuberculosis ( M. tuberculosis ), is still responsible for a large number of fatal cases, especially in developing countries with alarming rates of incidence and prevalence worldwide. Mycobacterium tuberculosis has… read more here.
Keywords: molecular modeling; dehydroquinate dehydratase; tuberculosis; design new ... See more keywords
Computational design of new organic (D–π–A) dyes based on benzothiadiazole for photovoltaic applications, especially dye-sensitized solar cells
Sign Up to like & getrecommendations! Published in 2020 at "Research on Chemical Intermediates"
DOI: 10.1007/s11164-020-04150-7
Abstract: A theoretical study on four organic dyes based on bis(4-hexyloxy)triphenylamine as donor and electron acceptor cyanoacrylic acid with a donor–π–acceptor structure (D–π–(D–A–)–A) using DFT/DFT (TD-DFT)/6-31G( d , p ) having a difference of π spacer… read more here.
Keywords: computational design; organic dyes; dyes based; design new ... See more keywords
Magnetic design of a new source for bending magnet beamlines at ultra-low emittance ILSF ring
Sign Up to like & getrecommendations! Published in 2020 at "Indian Journal of Physics"
DOI: 10.1007/s12648-020-01775-7
Abstract: The Iranian Light Source Facility (ILSF) is a 3-GeV third-generation synchrotron radiation laboratory in the basic design phase. The storage ring (SR) is based on a five-bend achromat (5BA) lattice, which provides ultra-low horizontal emittance… read more here.
Keywords: ultra low; emittance; source; design new ... See more keywords
Rational Design of New Antimicrobial Peptides Targeting Gram Negative Bacteria
Sign Up to like & getrecommendations! Published in 2017 at "Biophysical Journal"
DOI: 10.1016/j.bpj.2016.11.2098
Abstract: Antimicrobial peptides (AMPs) have been extensively investigated as potential antibiotics because the activity of these small cationic peptides can be enhanced by rational design. Many AMPs appear to bind and subsequently disrupt the integrity of… read more here.
Keywords: gram negative; negative bacteria; rational design; antimicrobial peptides ... See more keywords
Rational design of new multitarget histamine H3 receptor ligands as potential candidates for treatment of Alzheimer's disease.
Sign Up to like & getrecommendations! Published in 2020 at "European journal of medicinal chemistry"
DOI: 10.1016/j.ejmech.2020.112743
Abstract: Design and development of multitarget-directed ligands (MTDLs) has become a very important approach in the search of new therapies for Alzheimer's disease (AD). In our present research, a number of xanthone derivatives were first designed… read more here.
Keywords: alzheimer disease; multitarget; design new; inhibitory activity ... See more keywords
Theoretical design of new cyclopentadithiophene-based organic semiconductors with tunable nature and performance
Sign Up to like & getrecommendations! Published in 2019 at "Synthetic Metals"
DOI: 10.1016/j.synthmet.2019.116196
Abstract: Abstract Eight cyclopentadithiophene (CPD) based semiconductors are designed by moving phenyl/fluorine-phenyl groups from α to β positions of thiophenes of CPD. The semiconductor performances of these CPD derivatives with Cs and C2 symmetry (termed as… read more here.
Keywords: cpd; theoretical design; organic semiconductors; design new ... See more keywords
Enhanced Environmental Design for a New Integrated Hyper-Modal Microscope
Sign Up to like & getrecommendations! Published in 2018 at "Microscopy and Microanalysis"
DOI: 10.1017/s1431927618001113
Abstract: Though the resolution of electron microscopy has increased to a sub-Angstrom level, even a small environmental perturbation will cause loss of resolution. Coupled to low accelerating voltage operation for high resolution EELS with possible monochromated… read more here.
Keywords: microscope; microscopy; enhanced environmental; environmental design ... See more keywords
Sustainable Design of New Ionic Forms of Vitamin B3 and Their Utilization as Plant Protection Agents
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Agricultural and Food Chemistry"
DOI: 10.1021/acs.jafc.2c01807
Abstract: This study demonstrates the utilization of naturally occurring nicotinamide (vitamin B3) in the sustainable synthesis of organic salts with application potential as environmentally friendly agrochemicals. The designed ionic pairs, obtained with high yields, consisted of… read more here.
Keywords: plant protection; design new; protection agents; sustainable design ... See more keywords
Theoretical Design of a New Allosteric Switch and Fluorescence Chemosensor Double Functional Devices of Aza-Crown Ether
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.6b10228
Abstract: A novel molecular device (trans-azobenzene embedded N-(11-pyrenyl methyl)aza-21-crown-7) with double functional devices was designed on the basis of theoretical calculations. Pyrenyl methyl covalently bonded to aza-21-crown-7 at the nitrogen position interacting with a series of… read more here.
Keywords: new allosteric; theoretical design; double functional; design new ... See more keywords
Design of a new multi-functional catalytic system Ni/SO3H@zeolite-Y for three-component synthesis of N-benzo-imidazo- or -thiazole-1,3-thiazolidinones
Sign Up to like & getrecommendations! Published in 2020 at "RSC Advances"
DOI: 10.1039/d0ra08237f
Abstract: In this investigation, a nanoporous zeolite-NaY supported sulfonic acid was synthesized and Ni(ii) ions were successfully stabilized on its (Ni/SO3H@zeolite-Y) and was used as a multi-functional catalyst for green synthesis of 1,3-thiazolidinones. read more here.
Keywords: new multi; functional catalytic; so3h zeolite; multi functional ... See more keywords
Structural and componential design: new strategies regulating the behavior of lipid-based nanoparticles in vivo.
Sign Up to like & getrecommendations! Published in 2023 at "Biomaterials science"
DOI: 10.1039/d3bm00387f
Abstract: Lipid-based nanoparticles have made a breakthrough in clinical disease as delivery systems due to their biocompatibility, thermal and long-term stability, high loading ability, simplicity of preparation, inexpensive production costs, and scalable manufacturing production. In particular,… read more here.
Keywords: design new; based nanoparticles; lipid based; structural componential ... See more keywords