TIP 4 P 2005 Ice : Simulating water with two molecular states.

Rigid, non-polarizable water models are very efficient from a computational point of view, and some of them have a great ability in predicting experimental properties. There is, however, little room for improvement in simulating water with this strategy, whose main shortcoming is that water molecules do not change their interaction parameters in response to the local molecular landscape. In this work, we propose a novel modeling strategy that involves using two rigid non-polarizable models as states that water molecules can adopt depending on their molecular environment.

Feasibility study of hyperspectral colposcopy as a novel tool for detecting precancerous cervical lesions.

Cervical cancer remains a major global health concern, with a specially alarming incidence in younger women. Traditional detection techniques such as the Pap smear and colposcopy often lack sensitivity and specificity and are highly dependent on the experience of the gynaecologist. In response, this study proposes the use of Hyperspectral Imaging, a pioneering technology that combines traditional imaging with spectroscopy to provide detailed spatial and spectral information.

Tiny but mighty? Overview of a decade of research on nectar bacteria.

An emerging focus of research at the intersection of botany, zoology, and microbiology is the study of floral nectar as a microbial habitat, referred to as the nectar microbiome, which can alter plant-pollinator interactions. Studies on these microbial communities have primarily focused on yeasts, and it was only about a decade ago that bacteria began to be studied as widespread inhabitants of floral nectar. This review aims to give an overview of the current knowledge on nectar bacteria, with emphasis on evolutionary origin, dispersal mode, effects on nectar chemistry and plant-animal interactions, community assembly, agricultural applications, and their use as model systems in ecological research.

The Impact of the COVID-19 Pandemic on Pregnancy, Birth Experiences, and Mental Health: Voices from Women in Puerto Rico.

Objectives: The specific aims of the project are: (1) Examine the impact of COVID-19 on pregnancy experiences and outcomes; (2) Examine the mental health impact of COVID-19 in pregnant women and mothers of children 12 months or younger; (3) Identify risk and protective factors among this population in Puerto Rico.

Methods: Participants were recruited from the Puerto Rico Team for Exploring Contamination Threats (PROTECT) Superfund Program, which is composed of pregnant women and mothers from the northern karst region of Puerto Rico. The research had a mixed methods approach with a quantitative survey (n = 184) and qualitative interviews (n = 10); data collection was done in virtual mode.

On the compatibility of the Madrid-2019 force field for electrolytes with the TIP4P/Ice water model.

The Madrid-2019 force field was recently developed to perform simulations of electrolytes in water. The model was specifically parameterized for TIP4P/2005 water and uses scaled charges for the ions. In this work, we test the compatibility of the Madrid-2019 force field with another water model: TIP4P/Ice.