Miracle-dz/UniFAR-FTUs huggingface dataset:
Glycine in Water Favors the Polyproline II State

Conformational preferences of amino acid residues in water are determined by the backbone and side-chain properties. Alanine is known for its high polyproline II (pPII) propensity. The question of relative contributions of the backbone and side chain to the conformational preferences of alanine and other amino acid residues in water is not fully resolved. Because glycine lacks a heavy-atom side chain, glycine-based peptides can be used to examine to which extent the backbone properties affect the conformational space. Here, we use published spectroscopic data for the central glycine residue of cationic triglycine in water to demonstrate that its conformational space is dominated by the pPII state. We assess three commonly used molecular dynamics (MD) force fields with respect to their ability to capture the conformational preferences of the central glycine residue in triglycine. We show that pPII is the mesostate that enables the functional backbone groups of the central residue to form the most hydrogen bonds with water. Our results indicate that the pPII propensity of the central glycine in GGG is comparable to that of alanine in GAG, implying that the water-backbone hydrogen bonding is responsible for the high pPII content of these residues.
Upstream Dispersion in Solute Transport Models: A Simple Evaluation and Reduction Methodology

This article outlines analytical solutions to quantify the length scale associated with “upstream dispersion,” the artificial movement of solutes in the opposite direction to groundwater flow, in solute transport models. Upstream dispersion is an unwanted artifact in common applications of the advection‐dispersion equation (ADE) in problems involving groundwater flow in the direction of increasing solute concentrations. Simple formulae for estimating the one‐dimensional distance of upstream dispersion are provided. These show that under idealized conditions (i.e., steady‐state flow and transport, and a homogeneous aquifer), upstream dispersion may be a function of only longitudinal dispersivity. The scale of upstream dispersion in a selection of previously presented situations is approximated to highlight the utility of the presented formulae and the relevance of this ADE anomaly in common transport problems. Additionally, the analytical solution is applied in a hypothetical scenario to guide the modification of dispersion parameters to minimize upstream dispersion.
Laboratory verification of an RT‐PCR assay for SARS‐CoV‐2

Reverse transcription‐polymerase chain reaction (RT‐PCR) is an extremely common clinical method for detecting pathogens, particularly for emerging infectious diseases such as the new coronavirus disease (COVID‐19). Currently, detection of the RNA from the novel coronavirus SARS‐CoV‐2 is the gold standard for establishing a COVID‐19 diagnosis. This study evaluates the characteristic performance of the analytical system in a clinical laboratory.
DIEL HAUL‐OUT PATTERNS AND SITE FIDELITY OF HARBOR SEALS (PHOCA VITULINA RICHARDSI) ON SAN MIGUEL ISLAND, CALIFORNIA, IN AUTUMN

We studied the haul-out patterns and movements of harbor seals (Phoca vitulina richardsi) on San Miguel Island, California, from 23 October through 6 December 1982 by attaching a radio transmitter to each of 18 seals and monitoring their presence ashore with continuously scanning receivers. Seals hauled out at all hours although, on average, the largest proportion of tagged seals was ashore between 1300 and 1500 h. Median durations of haul-out bouts of individual seals ranged from 4.7 to 21.8 h; 81% of all haul-out bouts were less than 12 h and 3% were longer than 24 h. Eighty-one percent of the seals that were resighted at least twice used only the sites where they were tagged; two seals used two sites and one seal used three. Most seals were hauled out on fewer than 51% of the days sampled. On average, about 41% of tagged seals hauled out each day whereas an average of about 19% was hauled out during peak afternoon hours. Using telemetry data to correct a count of 412 seals made during an aerial survey, we estimated absolute abundance at about 2,168 seals; a modified Peterson mark-recapture model produced an estimate of about 1,445 seals.
Inactivation of Endothelial ADAM17 Reduces Retinal Ischemia-Reperfusion Induced Neuronal and Vascular Damage

Retinal ischemia contributes to visual impairment in ischemic retinopathies. A disintegrin and metalloproteinase ADAM17 is implicated in multiple vascular pathologies through its ability to regulate inflammatory signaling via ectodomain shedding. We investigated the role of endothelial ADAM17 in neuronal and vascular degeneration associated with retinal ischemia reperfusion (IR) injury using mice with conditional inactivation of ADAM17 in vascular endothelium. ADAM17Cre-flox and control ADAM17flox mice were subjected to 40 min of pressure-induced retinal ischemia, with the contralateral eye serving as control. Albumin extravasation and retinal leukostasis were evaluated 48 h after reperfusion. Retinal morphometric analysis was conducted 7 days after reperfusion. Degenerate capillaries were assessed by elastase digest and visual function was evaluated by optokinetic test 14 and 7 days following ischemia, respectively. Lack of ADAM17 decreased vascular leakage and reduced retinal thinning and ganglion cell loss in ADAM17Cre-flox mice. Further, ADAM17Cre-flox mice exhibited a remarkable reduction in capillary degeneration following IR. Decrease in neurovascular degeneration in ADAM17Cre-flox mice correlated with decreased activation of caspase-3 and was associated with reduction in oxidative stress and retinal leukostasis. In addition, knockdown of ADAM17 resulted in decreased cleavage of p75NTR, the process known to be associated with retinal cell apoptosis. A decline in visual acuity evidenced by decrease in spatial frequency threshold observed in ADAM17flox mice was partially restored in ADAM17-endothelial deficient mice. The obtained results provide evidence that endothelial ADAM17 is an important contributor to IR-induced neurovascular damage in the retina and suggest that interventions directed at regulating ADAM17 activity can be beneficial for alleviating the consequences of retinal ischemia.
Does Cash Flow Have An Impact On Profit Quality?

This study aimed to explore if there is an impact of cash flow (index of operational activity, index of operating cash flow, index of return on assets from operating cash flow) on profit quality in Jordanian hotel companies. The study population is composed of all Jordanian hotel companies listed on the Amman Stock Exchange (9), during the period from 2014 to 2018. The study was based on panel data as the data collected one-time and cross-sectional data for a period of time. The data consisted of a set of indicators for 9 Jordanian hotels collected from annual hotels' reports. The results of the hypothesis test indicate that there is a strong inverse relationship between (index of operational activity, index of return on assets from operating cash flow) respectively, and (profit quality), at the same time the study found that there is an inverse relationship that is not statistically significant between (index of operating cash flow ) and (profit quality).
Time diversity scheme and adaptive signal clipping with blanking applied to G3 systems for narrowband power‐line communications

In this paper, an investigation into the behavior of modern narrowband power‐line communication systems when concatenated with both a fountain code named Luby transform code and a combination of nonlinear preprocessing techniques called signal clipping with blanking is presented. The new systems can be used in applications such as the automatic meter reading component of smart grid technology. Testing is performed on a range of systems provided by the G3 standard and the results show that a bit error rate improvement can be achieved with the correct encoder/decoder settings. The recommended settings include an adaptive technique that uses Gaussian elimination for Luby transform code decoding and code rates that depend on the system specifications used. From there, it is shown that a further improvement is achieved when both the Luby transform code and adaptive signal clipping/blanking based on signal power are combined. It is found that these modifications present a complexity trade‐off, which is higher on the receiver side. This added complexity can be well‐tolerated in automatic meter‐reading systems because of the star topology and asymmetric nature of the network, which has a centralized agent acting as a receiver that collects data from various transmitter nodes.
Closing the COVID-19 Psychological Treatment Gap for Cancer Patients in Alberta: Protocol for the Implementation and Evaluation of Text4Hope-Cancer Care

Background Cancer diagnoses and treatments usually engender significant anxiety and depressive symptoms in patients, close relatives, and caregivers. Providing psychological support during the coronavirus disease (COVID-19) pandemic presents additional challenges due to self-isolation and social or physical distancing measures in place to limit viral spread. This protocol describes the use of text messaging (Text4Hope-Cancer Care) as a convenient, cost-effective, and accessible population-level mental health intervention. As demonstrated in previous research, this evidence-based program supports good outcomes and high user satisfaction. Objective We will implement daily supportive text messaging as a way of reducing and managing anxiety and depression related to cancer diagnosis and treatment in Alberta, Canada. Prevalence of anxiety and depressive symptoms, their demographic correlates, and Text4Hope-Cancer Care–induced changes in anxiety and depression will be evaluated. Methods Alberta residents with a cancer diagnosis and the close relatives of those dealing with a cancer diagnosis can self-subscribe to the Text4Hope-Cancer Care program by texting “CancerCare” to a dedicated text number. Self-administered, anonymous, online questionnaires will be used to assess anxiety and depressive symptoms using the Hospital Anxiety and Depression Scale (HADS). Data will be collected at onset from individuals receiving text messages, and at the mid- and endpoints of the program (ie, at 6 and 12 weeks, respectively). Data will be analyzed with parametric and nonparametric statistics for primary outcomes (ie, anxiety and depressive symptoms) and usage metrics, including the number of subscribers and user satisfaction. In addition, data mining and machine learning analysis will focus on determining subscriber characteristics that predict high levels of symptoms of mental disorders, and may subsequently predict changes in those measures in response to the Text4Hope-Cancer Care program. Results The first research stage, which was completed in April 2020, involved the creation and review of the supportive text messages and uploading of messages into a web-based text messaging service. The second stage, involving the launch of the Text4Hope-Cancer Care program, occurred in May 2020. Conclusions Text4Hope-Cancer Care has the potential to provide key information regarding the prevalence rates of anxiety and depressive symptoms in patients diagnosed or receiving care for cancer and their caregivers. The study will generate demographic correlates of anxiety and depression, and outcome data related to this scalable, population-level intervention. Information from this study will be valuable for health care practitioners working in cancer care and may help inform policy and decision making regarding psychological interventions for cancer care. International Registered Report Identifier (IRRID) PRR1-10.2196/20240
Continuing Professional Development (CPD) for pharmacists: Implications for professional practice

There is increasing pressure across the professions to ensure that the educational approaches used for Continuing Professional Development (CPD) will improve practice. Improved pharmacy practice in this study was taken to be increased engagement in proactive extended patient care activities. An online questionnaire was emailed to all registered pharmacists in Northern Ireland (N=2201). After two follow-ups there were 419 responses (19%). Data were analysed using SPSS version 21. Geometric coding (an algebraic method) was used to convert the multiple response data collected into categorical variables that were amenable to statistical analysis. An association was found between the CPD activities that pharmacists had undertaken and the professional activities they engaged in. Structured forms of CPD incorporating workplace learning activities improved professional practice, compared to the baseline (unstructured learning only). Pharmacists’ attitudes towards CPD and pharmacy practice also had an impact on both the CPD activities and professional practices they engaged in.
Sulforaphane Diminishes the Formation of Mammary Tumors in Rats Exposed to 17β-Estradiol

Elevated levels of estrogen are a risk factor for breast cancer. In addition to inducing DNA damage, estrogens can enhance cell proliferation as well as modulate fatty acid metabolism that collectively contributes to mammary tumorigenesis. Sulforaphane (SFN) is an isothiocyanate derived from broccoli that is currently under evaluation in multiple clinical trials for prevention of several diseases, including cancer. Previous studies showed that SFN suppressed DNA damage and lipogenesis pathways. Therefore, we hypothesized that administering SFN to animals that are co-exposed to 17β-estradiol (E2) would prevent mammary tumor formation. In our study, 4–6 week old female August Copenhagen Irish rats were implanted with slow-release E2 pellets (3 mg x 3 times) and gavaged 3x/week with either vehicle or 100 μmol/kg SFN for 56 weeks. SFN-treated rats were protected significantly against mammary tumor formation compared to vehicle controls. Mammary glands of SFN-treated rats showed decreased DNA damage while serum free fatty acids and triglyceride species were 1.5 to 2-fold lower in SFN-treated rats. Further characterization also showed that SFN diminished expression of enzymes involved in mammary gland lipogenesis. This study indicated that SFN protects against breast cancer development through multiple potential mechanisms in a clinically relevant hormonal carcinogenesis model.
On Your Mark, Get Set, Self-Control, Go: A Differentiated View on the Cortical Hemodynamics of Self-Control during Sprint Start

Most sports are self-control demanding. For example, during a sprint start, athletes have to respond as fast as possible to the start signal (action initiation) while suppressing the urge to start too early (action inhibition). Here, we examined the cortical hemodynamic response to these demands by measuring activity in the two lateral prefrontal cortices (lPFC), a central area for self-control processes. We analyzed activity within subregions of the lPFC, while subjects performed a sprint start, and we assessed if activation varied as a function of hemisphere and gender. In a counterbalanced within-subject design, 39 participants (age: mean (M) = 22.44, standard deviation (SD) = 5.28, 22 women) completed four sprint start conditions (blocks). In each block, participants focused on inhibition (avoid false start), initiation (start fast), no start (do not start) and a combined condition (start fast; avoid false start). We show that oxyhemoglobin in the lPFC increased after the set signal and this increase did not differ between experimental conditions. Increased activation was primarily observed in ventral areas of the lPFC, but only in males, and this increase did not vary between hemispheres. This study provides further support for the involvement of the ventral lPFC during a sprint start, while highlighting gender differences in the processing of sprint start-induced self-control demands.
Assessing Insect Species-richness at a Single Site

situation can lead to what might be considered as 'unhealthy competition' for funding and duplication of efforts, which can only be damaging to the long-term interests of climate research as a whole. It is hoped that this situation will improve in time, in order to allow ProClim to play fully its role of stimulation, coordination, and dissemination of the results, of climate research in Switzerland. For further information on ProClim, readers should contact the undersigned:
3D-Printed Drug Delivery Systems: The Effects of Drug Incorporation Methods on Their Release and Antibacterial Efficiency

Additive manufacturing technologies have been widely used in the medical field. More specifically, fused filament fabrication (FFF) 3D-printing technology has been thoroughly investigated to produce drug delivery systems. Recently, few researchers have explored the possibility of directly 3D printing such systems without the need for producing a filament which is usually the feedstock material for the printer. This was possible via direct feeding of a mixture consisting of the carrier polymer and the required drug. However, as this direct feeding approach shows limited homogenizing abilities, it is vital to investigate the effect of the pre-mixing step on the quality of the 3D printed products. Our study investigates the two commonly used mixing approaches—solvent casting and powder mixing. For this purpose, polycaprolactone (PCL) was used as the main polymer under investigation and gentamicin sulfate (GS) was selected as a reference. The produced systems’ efficacy was investigated for bacterial and biofilm prevention. Our data show that the solvent casting approach offers improved drug distribution within the polymeric matrix, as was observed from micro-computed topography and scanning electron microscopy visualization. Moreover, this approach shows a higher drug release rate and thus improved antibacterial efficacy. However, there were no differences among the tested approaches in terms of thermal and mechanical properties.
Unexpectedly High Levels of Inverted Re-Insertions Using Paired sgRNAs for Genomic Deletions

Use of dual sgRNAs is a common CRISPR/Cas9-based strategy for the creation of genetic deletions. The ease of screening combined with a rather high rate of success makes this approach a reliable genome engineering procedure. Recently, a number of studies using CRISPR/Cas9 have revealed unwanted large-scale rearrangements, duplications, inversions or larger-than-expected deletions. Strict quality control measures are required to validate the model system, and this crucially depends on knowing which potential experimental outcomes to expect. Using the dual sgRNA deletion approach, our team discovered high levels of excision, inversion and re-insertion at the site of targeting. We detected those at a variety of genomic loci and in several immortalized cell lines, demonstrating that inverted re-insertions are a common by-product with an overall frequency between 3% and 20%. Our findings imply an inherent danger in the misinterpretation of screening data when using only a single PCR screening. While amplification of the region of interest might classify clones as wild type (WT) based on amplicon size, secondary analyses can discover heterozygous (HET) clones among presumptive WTs, and events deemed as HET clones could potentially be full KO. As such, screening for inverted re-insertions helps in decreasing the number of clones required to obtain a full KO. With this technical note, we want to raise awareness of this phenomenon and suggest implementing a standard secondary PCR while screening for deletions.
Inhibitory Effects of Quercetin and Its Main Methyl, Sulfate, and Glucuronic Acid Conjugates on Cytochrome P450 Enzymes, and on OATP, BCRP and MRP2 Transporters

Quercetin is a flavonoid, its glycosides and aglycone are found in significant amounts in several plants and dietary supplements. Because of the high presystemic biotransformation of quercetin, mainly its conjugates appear in circulation. As has been reported in previous studies, quercetin can interact with several proteins of pharmacokinetic importance. However, the interactions of its metabolites with biotransformation enzymes and drug transporters have barely been examined. In this study, the inhibitory effects of quercetin and its most relevant methyl, sulfate, and glucuronide metabolites were tested on cytochrome P450 (CYP) (2C19, 3A4, and 2D6) enzymes as well as on organic anion-transporting polypeptides (OATPs) (OATP1A2, OATP1B1, OATP1B3, and OATP2B1) and ATP (adenosine triphosphate) Binding Cassette (ABC) (BCRP and MRP2) transporters. Quercetin and its metabolites (quercetin-3′-sulfate, quercetin-3-glucuronide, isorhamnetin, and isorhamnetin-3-glucuronide) showed weak inhibitory effects on CYP2C19 and 3A4, while they did not affect CYP2D6 activity. Some of the flavonoids caused weak inhibition of OATP1A2 and MRP2. However, most of the compounds tested proved to be strong inhibitors of OATP1B1, OATP1B3, OATP2B1, and BCRP. Our data demonstrate that not only quercetin but some of its conjugates, can also interact with CYP enzymes and drug transporters. Therefore, high intake of quercetin may interfere with the pharmacokinetics of drugs.
Work-Related Musculoskeletal Disorders in Dental Students: A Cross-Sectional, Pilot Study from a UK University Teaching Hospital

Purpose: Musculoskeletal disorders can be acute or chronic conditions of the musculoskeletal system and are prevalent within the dental profession. Dentistry is a high-risk profession for musculoskeletal disorders due to the use of repetitive hand movements and the adoption of prolonged static procedures. These have been identified as a prevalent cause of early retirement and have been shown to develop during dental training and education. The reported high rates of musculoskeletal disorders in dental and dental hygiene therapy students is a significant cause for concern. Methods: Following university ethical approval, a questionnaire was designed, piloted and distributed to dental students in the third and fourth Bachelor of Dentistry (BDS) cohort. Questions investigated the prevalence of back/neck pain along with other clinical factors identified as risk factors for musculoskeletal disorders, including use of indirect vision, work-place adaptations and four-handed dentistry. Results: A total of 102 questionnaires were returned from a potential 148 students a response rate of 68.9%. 76.5% (n = 78) of students questioned reported experiencing pain in the neck or back following a clinical session. Of those who experienced pain, 67.9% experienced pain at least once a month or more. 21.6% of students were unsure of the correct height to place their patients to optimise their posture during treatment, and a further 57.8% were only slightly aware. Furthermore, 89.2% of students felt that they did not have adequate nursing support to maintain good posture; 50% had not experienced four-handed dentistry with a nurse; and 7.9% very confident to use their mirror for indirect vision. Conclusions: The prevalence of neck/back pain within this study is similar to those reported internationally within the literature. High prevalence rates within dental students is a concerning finding that may have significant implications for individuals and the profession. The strongest evidence within the literature supports resistance training and stretching exercise programmes for prevention of musculoskeletal disorders. Students should be educated of the risks, and these preventative strategies should be encouraged within dental education programmes. Greater interventional studies are required. Disclosures: The authors confirm that this work is an original piece of work. There are no conflicts of interest and no author has received funding or reimbursements regarding the content of this research.