Women with endometriosis have higher comorbidities: Analysis of domestic data in Taiwan

AbstractEndometriosis, defined by the presence of viable extrauterine endometrial glands and stroma, can grow or bleed cyclically, and possesses characteristics including a destructive, invasive, and metastatic nature. Since endometriosis may result in pelvic inflammation, adhesion, chronic pain, and infertility, and can progress to biologically malignant tumors, it is a long-term major health issue in women of reproductive age. In this review, we analyze the Taiwan domestic research addressing associations between endometriosis and other diseases. Concerning malignant tumors, we identified four studies on the links between endometriosis and ovarian cancer, one on breast cancer, two on endometrial cancer, one on colorectal cancer, and one on other malignancies, as well as one on associations between endometriosis and irritable bowel syndrome, one on links with migraine headache, three on links with pelvic inflammatory diseases, four on links with infertility, four on links with obesity, four on links with chronic liver disease, four on links with rheumatoid arthritis, four on links with chronic renal disease, five on links with diabetes mellitus, and five on links with cardiovascular diseases (hypertension, hyperlipidemia, etc.). The data available to date support that women with endometriosis might be at risk of some chronic illnesses and certain malignancies, although we consider the evidence for some comorbidities to be of low quality, for example, the association between colon cancer and adenomyosis/endometriosis. We still believe that the risk of comorbidity might be higher in women with endometriosis than that we supposed before. More research is needed to determine whether women with endometriosis are really at risk of these comorbidities

The free-OH stretching frequencies of 3-coordinated H2O in water clusters and on ice surfaces

[[abstract]]The free-OH stretching of 3-coordinated H2O on ice and water surfaces typically resonates at 3690 cm−1, but it blue-shifts to 3715 cm−1 in small- to medium-sized water clusters. This research attempts to account computationally for the frequency difference using ab initio calculations for a number of benchmark systems. Systematic investigations indicate that the 25 cm−1 difference is primarily due to the disparity in molecular structures between water clusters and crystalline ice. We attribute the blue-shifting in water clusters to the reduction of hydrogen bond directionality and the presence of nearby water molecules in the form of double proton donors that are absent in crystalline ice.[[notice]]補正完畢[[journaltype]]國

Infrared Spectra of H+(H2O)(5-8) Clusters: Evidence for Symmetric Proton Hydration

[[sponsorship]]原子與分子科學研究所[[note]]已出版;[SCI];有審查制度;具代表性[[note]]http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Drexel&SrcApp=hagerty_opac&KeyRecord=0002-7863&DestApp=JCR&RQ=IF_CAT_BOXPLO

Density Functional Theory Study of Water-Gas-Shift Reaction on 3Cu/α-Al₂O₃(0001) Surface

The water-gas-shift reaction (CO + H₂O → CO₂ + H₂) plays a key role in hydrogen economy. First-principles density functional theory has been used to investigate the mechanism of the water-gas-shift reaction on a model consisting of 3Cu atom cluster on an 3Cu/α-Al₂O₃(0001) surface. Three reaction mechanismsredox, carboxyl, and formatehave been examined. After zero-point energy correction, our calculations show that the redox mechanism is controlled by <i>l</i>-CO_2(a) formation and OH_(a) diffusion. The carboxyl mechanism is dominated by the carboxyl formation. The OH_(a) is a reactive intermediate and plays an autocatalytic role in catalytic WGS reaction. Specially, the OH_(a) formation barrier can be reduced to 0.22 eV from the water dimer dissociation, and the H_2(a) formation barrier is extremely low, 0.65 eV, on the 3Cu/α-Al₂O₃(0001) surface

Spin-polarized transport properties in some transition metal dithiolene complexes

Spin filtering materials are of great current interest in part due to their applications in molecular electronics. In this study, we carried out a theoretical investigation on the charge transport properties of transition metal (TM) dithiolene complexes with TM = Ni, Fe and Mn by using non-equilibrium Green's function/density functional theory (NEGF-DFT) methods. The characteristics of current-voltage and spin-resolved transmission spectra pointed out that Ni complexes are non-polarized, while Fe and Mn complexes exhibit high polarization and can be regarded as excellent candidates for spin-filtering materials with high spin-filtering efficiency. These differences were rationalized on the basis of electron delocalization over the molecular junction of the partial distribution of α- and β-spin molecular projected self-consistent Hamiltonian (MPSH) orbitals, and also the first eigenchannels of molecular junctions.status: publishe

C–H Bond Activation of Methane via σ–d Interaction on the IrO₂(110) Surface: Density Functional Theory Study

The adsorption and dissociation of methane on the IrO₂(110) surface were investigated by density functional theory calculations. The adsorption energy of methane obtained in this study is −0.41 eV on the stoichiometric surface and −0.63 eV on the oxygen-rich surface, which are significantly higher than those calculated recently on other different catalytic systems. Analyses from density of states and electron density difference show a special interaction between the C–H bonding orbital and the d_<i>z</i>² orbital of surface iridium atom. In addition, the first hydrogen atom abstraction of methane by the IrO₂(110) surface is a reaction with low barrier and high exothermic energy. The lower reaction barrier than the desorption energy indicates that the IrO₂(110) surface could provide not only high sticking coefficient but also high turnover frequency in methane dissociation reaction

Microkinetic Simulation of Temperature-Programmed Desorption

The temperature-programmed desorption (TPD) spectra were simulated by combining density functional theory (DFT) calculations and microkinetic modeling. In the microkinetic analyses, all kinetic and thermodynamic parameters were obtained from DFT calculations to minimize artificial assumptions. For the case study, the desorptions of NH₃ and H₂O from the RuO₂(110) surface were simulated. The coverage-dependent desorption energies were introduced into the microkinetic model because different adsorbates on the surface will exhibit different desorption behaviors. In addition, temperature-dependent pre-exponential factors were applied to the desorption rate equations. The calculated pre-exponential factors are ranged from 10¹⁴ to 10¹⁷ s^–1, which are greatly larger than 10¹³ s^–1, a generally accepted empirical value for desorption processes. The desorption temperatures obtained from microkinetic simulations consist with experimental results, and the simulated TPD patterns are also similar to the experimental observations