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1.
Maywald Jacob D. Reiman Adam D. Overstreet Robert E. Johnson Alan W. 《Annals of Operations Research》2019,274(1-2):425-445
Annals of Operations Research - We consider the use of the new C-130J-30 aircraft for long distance (strategic) cargo movement. Currently, only large aircraft, the C-5 and the C-17, are identified... 相似文献
2.
Structure of Amido Pyridinium Betaines: Persistent Intermolecular C−H⋅⋅⋅N Hydrogen Bonding in Solution 下载免费PDF全文
Dr. Robert J. Thatcher Dr. David G. Johnson Dr. John M. Slattery Dr. Richard E. Douthwaite 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(10):3414-3421
A hydrogen bond of the type C?H???X (X=O or N) is known to influence the structure and function of chemical and biological systems in solution. C?H???O hydrogen bonding in solution has been extensively studied, both experimentally and computationally, whereas the equivalent thermodynamic parameters have not been enumerated experimentally for C?H???N hydrogen bonds. This is, in part, due to the lack of systems that exhibit persistent C?H???N hydrogen bonds in solution. Herein, a class of molecule based on a biologically active norharman motif that exhibits unsupported intermolecular C?H???N hydrogen bonds in solution has been described. A pairwise interaction leads to dimerisation to give bond strengths of about 7 kJ mol?1 per hydrogen bond, which is similar to chemically and biologically relevant C?H???O hydrogen bonding. The experimental data is supported by computational work, which provides additional insight into the hydrogen bonding by consideration of electrostatic and orbital interactions and allowed a comparison between calculated and extrapolated NMR chemical shifts. 相似文献
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Yoshiki Shibuya Ryoichi Tatara Yivan Jiang Yang Shao‐Horn Jeremiah A. Johnson 《Journal of polymer science. Part A, Polymer chemistry》2019,57(3):448-455
The properties of polymeric materials are dictated not only by their composition but also by their molecular architecture. Here, by employing brush‐first ring‐opening metathesis polymerization (ROMP), norbornene‐terminated poly(ethylene oxide) (PEO) macromonomers ( MM‐n , linear architecture), bottlebrush polymers ( Brush‐n , comb architecture), and brush‐arm star polymers ( BASP‐n , star architecture), where n indicates the average degree of polymerization (DP) of PEO, are synthesized. The impact of architecture on the thermal properties and Li+ conductivities for this series of PEO architectures is investigated. Notably, in polymers bearing PEO with the highest degree of polymerization, irrespective of differences in architecture and molecular weight (~100‐fold differences), electrolytes with lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) as an Li+ source exhibit normalized ionic conductivities (σn) within only 4.9 times difference (σn = 29.8 × 10?5 S cm?1 for MM‐45 and σn = 6.07 × 10?5 S cm?1 for BASP‐45 ) at a concentration of Li+ r = [Li+]/[EO] = 1/12 at 50 °C. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2019 , 57, 448–455 相似文献
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Dr. Jamal El Bakali Dr. Michal Blaszczyk Dr. Joanna C. Evans Dr. Jennifer A. Boland Dr. William J. McCarthy Imam Fathoni Dr. Marcio V. B. Dias Dr. Eachan O. Johnson Dr. Anthony G. Coyne Prof. Valerie Mizrahi Prof. Tom L. Blundell Prof. Chris Abell Dr. Christina Spry 《Angewandte Chemie (International ed. in English)》2023,62(17):e202300221
The coenzyme A (CoA) biosynthesis pathway has attracted attention as a potential target for much-needed novel antimicrobial drugs, including for the treatment of tuberculosis (TB), the lethal disease caused by Mycobacterium tuberculosis (Mtb). Seeking to identify inhibitors of Mtb phosphopantetheine adenylyltransferase (MtbPPAT), the enzyme that catalyses the penultimate step in CoA biosynthesis, we performed a fragment screen. In doing so, we discovered three series of fragments that occupy distinct regions of the MtbPPAT active site, presenting a unique opportunity for fragment linking. Here we show how, guided by X-ray crystal structures, we could link weakly-binding fragments to produce an active site binder with a KD <20 μM and on-target anti-Mtb activity, as demonstrated using CRISPR interference. This study represents a big step toward validating MtbPPAT as a potential drug target and designing a MtbPPAT-targeting anti-TB drug. 相似文献
10.
Hanna Morales Hernández Qiwei Sun Matthew Rosati Prof. Rebecca L. M. Gieseking Prof. Christopher J. Johnson 《Angewandte Chemie (International ed. in English)》2023,62(35):e202307723
The role of hydrogen atoms as surface ligands on metal nanoclusters is of profound importance but remains difficult to directly study. While hydrogen atoms often appear to be incorporated formally as hydrides, evidence suggests that they donate electrons to the cluster's delocalized superatomic orbitals and may consequently behave as acidic protons that play key roles in synthetic or catalytic mechanisms. Here we directly test this assertion for the prototypical Au9(PPh3)8H2+ nanocluster, formed by addition of a hydride to the well-characterized Au9(PPh3)83+. Using gas-phase infrared spectroscopy, we were able to unambiguously isolate Au9(PPh3)8H2+ and Au9(PPh3)8D2+, revealing an Au−H stretching mode at 1528 cm−1 that shifts to 1038 cm−1 upon deuteration. This shift is greater than the maximum expected for a typical harmonic potential, suggesting a potential governing cluster-H bonding that has some square-well character consistent with the hydrogen nucleus behaving as a metal atom in the cluster core. Complexing this cluster with very weak bases reveals a redshift of 37 cm−1 in the Au−H vibration, consistent with those typically seen for moderately acidic groups in gas phase molecules and providing an estimate of the acidity of Au9(PPh3)8H2+, at least with regard to its surface reactivity. 相似文献