Results 21 to 30 of about 36,235,438 (278)
Applied Biological Chemistry, 2018 This work is aimed at providing physical insights about the π–π stacking interactions of some popular drug fragments (DF) including indole (I), benzothiophene (Bt), benzofuran (Bf) and guanine (G), adenine (A), A-thymine (AT), G-cytosine (GC) base pairs ...
Hossein Azizi Toupkanloo, Zoha Rahmani
semanticscholar +1 more source
Molecules, 2018 In this manuscript, we combined DFT calculations (PBE0-D3/def2-TZVP level of theory) and a Cambridge Structural Database (CSD) survey to evaluate the ability of perchlorinated cyclopenta- and cyclohexatetrelanes in establishing tetrel bonding ...
Antonio Bauzá, Antonio Frontera
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Analysis of Aiming with Tools: Proprioception [PDF]
Proceedings of the Human Factors and Ergonomics Society Annual Meeting, 2003 One of the major areas of interest in the field of ergonomics is the design of hand tools. Though considerable research has produced more user-friendly tools, there has been some reluctance to use them for some tasks. It is hypothesized that this reluctance on the part of the user may be partly due to the reduction of accuracy while using those ...
Nagasridhar Chintapalli +3 more
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Crystals, 2017 In this manuscript, we combined DFT (Density Functional Theory) calculations (BP86-D3/def2-TZVP level of theory) and a search in the CSD (Cambridge Structural Database) to analyze the role of halogen–halogen interactions in the crystal structure of ...
Antonio Bauzá, Antonio Frontera
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Implementation Science, 2021 Background When complex health services interventions are implemented in real-world settings, adaptations are inevitable. Adaptations are changes made to an intervention, implementation strategy, or context prior to, during, and after implementation to ...
Michaela S. McCarthy +8 more
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The FAST-AIMS Clinical Mass Spectrometry Analysis System [PDF]
Advances in Bioinformatics, 2009 Within clinical proteomics, mass spectrometry analysis of biological samples is emerging as an important high-throughput technology, capable of producing powerful diagnostic and prognostic models and identifying important disease biomarkers. As interest in this area grows, and the number of such proteomics datasets continues to increase, the need has ...
Fananapazir, Nafeh +2 more
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Explosives properties of high energetic trinitrophenyl nitramide molecules: A DFT and AIM analysis
Arabian Journal of Chemistry, 2016 The high level density functional theory, B3LYP, was proposed for the derivatives of energetic molecule Trinitrophenyl Nitramide [TNPN]: MTNPN, ETNPN and NETNPN respectively, in order to understand its explosive characteristics.
V. Anbu +4 more
semanticscholar +1 more source
Crystals, 2018 The coupling of cis-[PdCl2(CNXyl)2] (Xyl = 2,6-Me2C6H3) with 4-phenylthiazol-2-amine in molar ratio 2:3 at RT in CH2Cl2 leads to binuclear (diaminocarbene)PdII complex 3c. The complex was characterized by HRESI+-MS, 1H NMR spectroscopy, and its structure
Alexander S. Mikherdov +4 more
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Analysis of the Arrangement of Geographical Conditions with the Aim of Reducing Air Pollution: A Case Study of Tehran [PDF]
جغرافیا و برنامهریزی محیطی, 2022 :According to the statistics of the Organization of the Environment, a total of 48 days of air pollution exceeds the admissible threshold (AQI more than 150) for the three months of the year.
Faezeh Afarideh +2 more
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Analysis of Trace Elements in Human Brain: Its Aim, Methods, and Concentration Levels
Frontiers in Chemistry, 2019 Trace elements play a crucial role in many biochemical processes, mainly as components of vitamins and enzymes. Although small amounts of metal ions have protective properties, excess metal levels result in oxidative injury, which is why metal ion ...
Cezary Grochowski +10 more
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