Rapid evolution in introduced species, ‘invasive traits’ and recipient communities: challenges for predicting invasive potential

The damaging effects of invasive organisms have triggered the development of Invasive Species Predictive Schemes (ISPS). These schemes evaluate biological and historical characteristics of species and prioritize those that should be the focus of exclusion, quarantine, and/or control. However, it is not clear how commonly these schemes take microevolutionary considerations into account. We review the recent literature and find that rapid evolutionary changes are common during invasions. These evolutionary changes include rapid adaptation of invaders to new environments, effects of hybridization, and evolution in recipient communities. Strikingly, we document 38 species in which the specific traits commonly associated with invasive potential (e.g. growth rate, dispersal ability, generation time) have themselves undergone evolutionary change following introduction, in some cases over very short (≤ 10 year) timescales. In contrast, our review of 29 ISPS spanning plant, animal, and microbial taxa shows that the majority (76%) envision invading species and recipient communities as static entities. Those that incorporate evolutionary considerations do so in a limited way. Evolutionary change not only affects the predictive power of these schemes, but also complicates their evaluation. We argue that including the evolutionary potential of species and communities in ISPS is overdue, present several metrics related to evolutionary potential that could be incorporated in ISPS, and provide suggestions for further research on these metrics and their performance. Finally, we argue that the fact of evolutionary change during invasions begs for added caution during risk assessment

AI is a viable alternative to high throughput screening: a 318-target study

: High throughput screening (HTS) is routinely used to identify bioactive small molecules. This requires physical compounds, which limits coverage of accessible chemical space. Computational approaches combined with vast on-demand chemical libraries can access far greater chemical space, provided that the predictive accuracy is sufficient to identify useful molecules. Through the largest and most diverse virtual HTS campaign reported to date, comprising 318 individual projects, we demonstrate that our AtomNet® convolutional neural network successfully finds novel hits across every major therapeutic area and protein class. We address historical limitations of computational screening by demonstrating success for target proteins without known binders, high-quality X-ray crystal structures, or manual cherry-picking of compounds. We show that the molecules selected by the AtomNet® model are novel drug-like scaffolds rather than minor modifications to known bioactive compounds. Our empirical results suggest that computational methods can substantially replace HTS as the first step of small-molecule drug discovery

Data from: Anopheles gambiae: metabolomic profiles in sugar-fed, blood-fed and Plasmodium falciparum-infected midgut

The mosquito midgut is a physiological organ essential for the nutrient acquisition as well as an interface that encounters various mosquito borne pathogens. Metabolomic characterization would reveal biochemical fingerprints that are generated by various cellular processes. The metabolite profiles of the mosquito midgut will provide an overview of the biochemical events in both physiological states and the dynamic responses to pathogen infections. In this study, the midgut metabolic profiles of Anopheles gambiae mosquitoes following feeding with sugar, human blood, mouse blood, and Plasmodium falciparum-infected human blood were examined. A mass spectrometry system coupled to liquid and gas chromatography produced a time series of metabolites in the midgut at discrete conditions (sugar feeding, 24hr and 48hr post normal blood and P. falciparum-infected blood feeding). Triplicates were included to ensure system validity. A total of 512 individual compounds were identified, 511 were assigned to 8 super-pathways and 75 sub-pathways. The dataset can be used for further inquiry into the metabolic dynamics of sugar and blood digestion and of malaria parasite infection

Dataset Item 1, 2, and 3

This study examined the midgut metabolic profiles of Anopheles gambiae mosquitoes following feeding with sugar, human blood, mouse blood, and Plasmodium falciparum-infected human blood. GC/MS and LC/MS were used to determine the abundance of 512 metabolites. The dataset associated with this study includes 3 items, which are described as follows. Dataset Item 1 (Table) contains information about biochemicals, pathway assignment, and abundance, using the original scale. Dataset Item 2 (Table) contains information about biochemicals, pathway assignment, and abundance, using rescaled values. Dataset Item 3 (Images) contains graphical views of biochemical abundance. Each box plot presents the abundance of one compound in all samples

Spectroscopic Study of a Photoactive Antibacterial Agent: 2,3-Distyrylindole

Optical properties and fluorescence decay dynamics of a photoactive indole based antibacterial chromophore system, 2,3-distyrylindole (23DSI), were investigated using various spectroscopic characterization techniques. Experimental studies were done by utilizing steady-state UV–vis spectroscopy, steady-state fluorescence spectroscopy, time-resolved fluorescence upconversion spectroscopy, and time-correlated single-photon counting spectroscopy. Our studies show that the 23DSI molecule has a multiphoton absorption property as indicated by two- and three-photon absorption in the both the solution and the solid phases. The ultrafast time-resolved fluorescence upconversion studies show that this molecule undergoes a fast decay process with an average time constant of 34 ps, a single exponential decay, and an average fluorescence lifetime of 1 ns. The compound 23DSI did not show any signs of singlet oxygen production. The density functional theory (DFT) calculations showed that the 23DSI molecule has conjugated electron densities that are responsible for multiphoton absorption. The chlorine-substituted styryl groups, attached to the central indole ring facilitate the excellent electron delocalization within the molecule. This optimal electron delocalization, combined with the good electron conjugation in the 23DSI molecule is important for efficient multiphoton absorption and is in excellent agreement with experimental observations. Both the optical spectrum and emission spectrum using DFT calculations are also surprisingly well matched with the experimentally measured UV–vis spectrum and the emission spectrum, respectively. Combined experimental and theoretical studies suggest that excited electrons initially relax to the singlet state (S1) by internal conversion (IC) and subsequently relax back to their ground state by emitting absorbed energy as fluorescence emission. The outstanding multiphoton absorption capabilities of this 23DSI molecule support its potential application in both biological imaging and photodynamic inactivation (PDI)

Assessing the Efficacy of a 28-Day Comprehensive Online Prostate Cancer Patient Empowerment Program (PC-PEP) in Facilitating Engagement of Prostate Cancer Patients in Their Survivorship Care: A Qualitative Study

A 28-day Prostate Cancer-Patient Empowerment Program (PC-PEP) developed through patient engagement was successful at promoting mental and physical health. Thirty prostate cancer patients from Halifax, Canada participated in the 28-day PC-PEP intervention in early 2019. PC-PEP encompassed daily patient education and empowerment videos, prescribed physical activities (including pelvic floor exercises), a mostly plant-based diet, stress reduction techniques, intimacy education, social connection, and support. Quantitative exit surveys and semi-structured interviews (conducted in focus groups of ten) were used to assess perceived factors that facilitated or impeded adherence to the program. The program received high praise from the patients and was deemed extremely useful by the participating men, who rated it 9 out of 10. Patients expressed that the multifaceted, online, home-based nature of the program helped them adhere to it better than they would have had to a single or less comprehensive intervention. Feedback from the participants indicated that the program, when viewed as a whole, was perceived as greater than the sum of its individual parts. Furthermore, the program addressed various issues, including emotional vulnerability and distress, physical fitness, urinary incontinence, challenges in expressing emotions, perceived lack of control over healthcare decisions, emotional fragility, and hesitancy to discuss prostate cancer-related matters in social settings. Patients highly (9.6/10) endorsed integrating the program into the standard care regimen from the very beginning of diagnosis. However, challenges such as work commitments were noted. Patients’ high endorsement of PC-PEP suggests that its implementation into the standard of care from day one of diagnosis may be warranted

Six-month prostate cancer empowerment program (PC-PEP) improves urinary function : a randomized trial

Purpose: This is a secondary analysis examining a six-month home-based Prostate Cancer-Patient Empowerment Program (PC-PEP) on patient-reported urinary, bowel, sexual, and hormonal function in men with curative prostate cancer (PC) against standard of care. Methods: In a crossover clinical trial, 128 men scheduled for PC surgery (n = 62) or radiotherapy with/without hormones (n = 66) were randomized to PC-PEP (n = 66) or waitlist-control and received the standard of care for 6 months, and then PC-PEP to the end of the year. PC-PEP included daily emails with video instructions, aerobic and strength training, dietary guidance, stress management, and social support, with an initial PFMT nurse consultation. Over 6 months, participants in the PC-PEP received optional text alerts (up to three times daily) reminding them to follow the PFMT video program, encompassing relaxation, quick-twitch, and endurance exercises; compliance was assessed weekly. Participants completed baseline, 6, and 12-month International Prostate Symptom Score (IPSS) and Expanded Prostate Cancer Index Composite (EPIC) questionnaires. Results: At 6 months, men in the PC-PEP reported improved urinary bother (IPSS, p = 0.004), continence (EPIC, p < 0.001), and irritation/obstruction function (p = 0.008) compared to controls, with sustained urinary continence benefits at 12 months (p = 0.002). Surgery patients in the waitlist-control group had 3.5 (95% CI: 1.2, 10, p = 0.024) times and 2.3 (95% CI: 0.82, 6.7, p = 0.11) times higher odds of moderate to severe urinary problems compared to PC-PEP at 6 and 12 months, respectively. Conclusions: PC-PEP significantly improves lower urinary tract symptoms, affirming its suitability for clinical integration alongside established mental health benefits in men with curative prostate cancer