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molecules

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INSIGHT INTO THE ROLES OF SMALL MOLECULES IN CL-20 BASED HOST-GUEST CRYSTALS: A COMPARATIVE DFT-D STUDY

Redazione
(AGENPARL) – LONDON (UNITED KINGDOM), lun 10 agosto 2020 The host-guest inclusion strategy has emerged as a promising method for developing advanced energetic materials and has successfully applied in CL-20 crystal. Based on density functional theory (DFT), the effects of insert molecules were evaluated by comparatively studying the structural, electronic,......
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DESIGN OF CONFIGURATION-RESTRICTED TRIAZOLYLATED β-D-RIBOFURANOSIDES: A UNIQUE FAMILY OF CRESCENT-SHAPED RNASE A INHIBITORS

Redazione
(AGENPARL) – LONDON (UNITED KINGDOM), ven 07 agosto 2020 Seven new carbohydrate–bistriazole hybrid molecules were designed taking into consideration the crescent shaped active site of ribonuclease A (RNase A). In this case, the β-D-ribofuranose structure was used as the basic building unit; both the C1 and C4 arms protruding out......
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KNOTTED MOLECULES CAN TRANSFER CHIRALITY FROM THE NANO TO THE MACROSCALE

Redazione
(AGENPARL) – CAMBRIDGE (UNITED KINGDOM), gio 06 agosto 2020 Knots are common in long molecules such as proteins and DNA, but both the method by which they form and the mechanism by which they effect a molecule’s macroscopic function remains unclear. Now, researchers from the Netherlands and the UK have......
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FAST CARBONYLATION REACTION FROM CO2 USING PLASMA GAS/LIQUID MICROREACTORS FOR RADIOLABELING APPLICATIONS

Redazione
(AGENPARL) – LONDON (UNITED KINGDOM), mar 04 agosto 2020 Carbon-11 is undoubtedly an attractive PET radiolabeling synthon because carbon is present in all biological molecules. It is mainly found under 11CO2, but the latter being not very reactive, it is necessary to convert it into a secondary precursor. 11CO is......
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SYNOPSIS: MICROWAVE MANIPULATION OF COLD MOLECULES

Redazione
(AGENPARL) – WASHINGTON (D.C.), mar 04 agosto 2020 August 4, 2020• Physics 13, s100 Interactions between molecules can be tuned using microwaves, a finding that could be leveraged for studying quantum systems. Z. Yan/Massachusetts Institute of Technology Z. Yan/Massachusetts Institute of Technology × Ultracold molecules are a promising platform for......
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ON THE RELATIONS BETWEEN BACKBONE THIOPHENE FUNCTIONALIZATION AND CHARGE CARRIER MOBILITY OF A-D-A TYPE OF SMALL MOLECULES

Redazione
(AGENPARL) – LONDON (UNITED KINGDOM), lun 03 agosto 2020 Recently, the power conversion efficiency (PCE) of organic photovoltaic cells (OPVs) has been increased rapidly owing to the introduction of non-fullerene A-D-A type of small-molecule acceptor. Thiophene is often used in A-D-A type of small molecules as conjugated bridge between donor......
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PROBING THE CONFORMATIONAL LANDSCAPE AND THERMOCHEMISTRY OF DNA DINUCLEOTIDE ANIONS VIA HELIUM NANODROPLET INFRARED ACTION SPECTROSCOPY

Redazione
(AGENPARL) – LONDON (UNITED KINGDOM), ven 31 luglio 2020 Isolation of biomolecules in vacuum enables detailed characterization of the intramolecular interactions that determine three-dimensional structure, but experimental quantification of relative conformer thermochemistry remains challenging. Infrared spectroscopy of molecules trapped in helium nanodroplets is a promising experimental methodology for measuring such......
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SELF-REPLICATING MOLECULES SHOW SIGNS OF METABOLISM FOR THE FIRST TIME

Redazione
(AGENPARL) – CAMBRIDGE (UNITED KINGDOM), mer 29 luglio 2020 In a chance discovery, researchers have for the first time observed the emergence of something akin to metabolism in molecules that also self-replicate.1 The replicator molecules catalyse a reaction that produces compounds that help to make the replicator’s own building blocks.......
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HOW THE BRAIN SENSES SMELL

Redazione
(AGENPARL) – WORCESTER (MASSACHUSETTS), mer 29 luglio 2020 Rovereto, Italy, 29th July 2020 – An Italian-American research conducted by researchers at the IIT-Istituto Italiano di Tecnologia (Italian Institute of Technology) in Rovereto (Italy) and Harvard University in Boston (Usa) explains for the first time the mechanisms used by our brain......
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A MACHINE-LEARNING-ASSISTED STUDY OF PERMEABILITY OF SMALL DRUG-LIKE MOLECULES ACROSS LIPID MEMBRANES

Redazione
(AGENPARL) – LONDON (UNITED KINGDOM), lun 27 luglio 2020 Study of permeability of small organic molecules across lipid membranes play a significant role in de- signing potential drugs in the field of drug discovery. Approaches to design promising drug molecules have gone through many stages, from experiment-based trail-and-error approaches, to......

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