The influence of large-amplitude librational motion on the hydrogen bond energy for alcohol–water complexes

The far-infrared absorption spectra have been recorded for hydrogen-bonded complexes of water with methanol and t-butanol embedded in cryogenic neon matrices at 2.8 K. The partial isotopic substitution of individual subunits enabled by a dual inlet deposition procedure provides for the first time unambiguous assignments of the intermolecular high-frequency out-of-plane and low-frequency in-plane donor OH librational modes for mixed alcohol-water complexes. The vibrational assignments confirm directly that water acts as the hydrogen bond donor in the most stable mixed complexes and the tertiary alcohol is a superior hydrogen bond acceptor. The class of large-amplitude donor OH librational motion is shown to account for up to 5.1 kJ mol(-1) of the destabilizing change of vibrational zero-point energy upon intermolecular OH center dot center dot center dot O hydrogen bond formation. The experimental findings are supported by complementary electronic structure calculations at the CCSD(T)-F12/aug-cc-pVTZ level of theory

Paulus, autoritative skrifter og kanon i tidlig kristendom: En analyse av noen tidlige kristnes syn på paulusbrevenes autoritet, i diskusjon med to forskere på kanoniseringen av Det nye testamentet

Oppgaven tar for seg hvordan 1 Klemensbrev, ignatiusbrevene, og Polykarps brev til filipperne refererer til paulusbrevene som autoritative skrifter. Noen sentrale spørsmål i diskusjonen er hvordan Paulus' og paulusbrevenes autoritet begrunnes, og om de er ansett for å være del av en autoritativ skriftsamling eller kanon. Spørsmålene diskuteres med to forskere på kanoniseringsprosessen av Det nye testamentet. Konklusjonene er som følger: Paulus er høyt ansett av de tre historiske kildene, og hans autoritet begrunnes primært i at han er en apostel. Forfatterne refererer jevnlig til paulusbrevene som autoritative, men anser dem ikke for å være en del av en avgrenset kanon. I stedet er de en del av en felles apostolisk arv, der Paulus er en sentral skikkelse. Denne arven befinner seg blant flere typer autoriteter og autoritative skrifter i tidlig kristendom

The donor OH stretching–libration dynamics of hydrogen-bonded methanol dimers in cryogenic matrices

FTIR spectra of the methanol dimer trapped in neon matrices are presented.</p

The effect of hydrogen bonding on torsional dynamics: A combined far-infrared jet and matrix isolation study of methanol dimer.

The effect of strong intermolecular hydrogen bonding on torsional degrees of freedom is investigated by far-infrared absorption spectroscopy for different methanol dimer isotopologues isolated in supersonic jet expansions or embedded in inert neon matrices at low temperatures. For the vacuum-isolated and Ne-embedded methanol dimer, the hydrogen bond OH librational mode of the donor subunit is finally observed at ∼560 cm(-1), blue-shifted by more than 300 cm(-1) relative to the OH torsional fundamental of the free methanol monomer. The OH torsional mode of the acceptor embedded in neon is observed at ∼286 cm(-1). The experimental findings are held against harmonic predictions from local coupled-cluster methods with single and double excitations and a perturbative treatment of triple excitations [LCCSD(T)] and anharmonic. VPT2 corrections at canonical MP2 and density functional theory (DFT) levels in order to quantify the contribution of vibrational anharmonicity for this important class of intermolecular hydrogen bond vibrational motion

Real-world effects of anti-dementia treatment on mortality in patients with Alzheimer´s dementia

To examine the real-world effects of the cholinesterase inhibitors (AChEI) on all-cause mortality. A nationwide, retrospective cohort study. Participants were diagnosed with incident AD in Denmark from January 1, 2000 to December 31, 2011 with follow-up until December 31, 2012. A total of 36,513 participants were included in the current study with 22,063 deaths during 132,426 person-years of follow-up. At baseline, patients not treated with AChEI (n = 28,755 [9961 males (35%)]) had a mean age ± standard deviation (SD) of 80.33 ± 7.98 years (78.97 ± 8.26 for males and 81.04 ± 7.98 for females), as compared to 79.95 ± 7.67 (78.87 ± 7.61 for males and 80.61 ± 7.63 for females) in the group exposed at baseline. Patients treated with AChEI had a beneficial hazard ratio (HR) of 0.69, 95% confidence interval (CI) (0.67–0.71) for all-cause mortality as compared to patients not treated, with donepezil (HR 0.80, 95% CI [0.77–0.82]) and galantamine (HR 0.93,95% CI [0.89–0.97]) having beneficial effects on mortality rate as compared to non-treatment, whereas rivastigmine (HR 0.99, 95% CI [0.95–1.03]) was associated with a mortality rate comparable to non-treatment with AChEI. Patients were primarily exposed to donepezil (65.8%) with rivastigmine (19.8%) and galantamine (14.4%) being used less often. These findings underscore the effect of AChEI on not only reducing speed of cognitive decline but also directly prolonging life, which could result in changes in treatment recommendation for when to stop treatment