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- Lindh, Roland, 1958-, et al.
(författare)
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On the thermodynamic stability of ArO4
- 1999
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Ingår i: Journal of Physical Chemistry A. - : American Chemical Society (ACS). - 1089-5639 .- 1520-5215. ; 103:41, s. 8295-8302
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Tidskriftsartikel (refereegranskat)abstract
- The argon tetroxide molecule, ArO4, and the isoelectronically associated perchlorate, ClO4-, and sulfate, SO42-, ions are investigated on different levels of ab initio theory. The equilibrium structures, harmonic vibrational frequencies, and heats of formation are computed applying density functional theory, second order Moller-Plesset perturbation, singles and doubles coupled-cluster with triples corrections, and Bruekner’s doubles coupled-cluster with triples corrections methods in conjunction with various one-particle basis sets. The calculations demonstrate that the description of the bond characteristics in argon tetroxide is sensitive to the applied level of theory. A careful analysis of the global potential energy surface shows that a stationary point exists for the ArO4 complex corresponding to a local mininium. The calculated equilibrium Ar-O bond distance of 1.48 Angstrom for this structure is slightly longer than the corresponding bond length of the perchlorate ion. Harmonic frequencies for ArO4 obtained using Bruekner’s doubles coupled-cluster with triples corrections are found to have a similar pattern like those obtained for the isoelectronic series of ions SiO44-, PO43-, SO42-, ClO4-. Using the concept of an isodesmic reaction, the enthalpy of formation of ArO4 is determined to be endothermic by as much as 1236 kJ/mol. The present theoretically predicted strong endothermicity and the large Ar-O bond distance are in conflict with the monotonic trends obtained for the isoelectronic ions, but can be supported by other chemical extrapolation schemes.
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- Ovlisen, Andreas K., et al.
(författare)
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Parenthood Rates and Use of Assisted Reproductive Techniques in Younger Hodgkin Lymphoma Survivors : A Danish Population-Based Study
- 2021
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Ingår i: Journal of Clinical Oncology. - : American Society of Clinical Oncology (ASCO). - 0732-183X .- 1527-7755. ; 39:31, s. 3463-3472
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Tidskriftsartikel (refereegranskat)abstract
- PURPOSE The majority of young adults with Hodgkin lymphoma (HL) are cured, but chemotherapy-induced infertility can have profound psychosocial consequences. Providing data on parenthood rates and use of assisted reproductive techniques (ARTs) after contemporary HL treatment is important for patient counseling and survivorship care.MATERIALS AND METHODS All Danish patients with HL diagnosed during 2000-2015 at the ages 18-40 years who achieved remission after first-line therapy were included and matched on age, sex, and parenthood status to five random persons from the general population. Parenthood rates were defined as the rate of first live birth per 1,000 person years, starting 9 months after HL diagnosis. Nationwide birth and patient registers were used to capture parenthood outcomes and ARTs use.RESULTS A total of 793 HL survivors and 3,965 comparators were included (median follow-up 8.7 years). Similar parenthood rates were observed for male and female HL survivors when compared with matched comparators (56.2 v 57.1; P = .871 for males and 63.8 v 61.2; P = .672 for females). For male HL survivors, BEACOPP (bleomycin, etoposide, doxorubicin, cyclophosphamide, vincristine, procarbazine, and prednisone) therapy was associated with lower parenthood rates as compared to the matched comparators (28.1 v 60.8; P = .020). Live birth after ARTs were more common for HL survivors than for comparators (males 21.6% v 6.3%; P < .001; females 13.6% v 5.5%; P = .001). There were no differences in gestational age, Apgar score, or newborn measurements between HL survivors and matched comparators.CONCLUSION The parenthood rates for HL survivors who have not experienced relapse were generally similar to the general population. However, ARTs were used more often before the first live birth in HL survivors, which is relevant information when discussing possible long-term side effects and fertility-preserving treatment options.
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