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- ArticleDantas FLR, Dantas F, Pedro KM, da Fonseca VKT, Fehlings MG.Brain Spine. 2025;5:104205.Introduction: Odontoid fractures account for approximately 15% of all cervical spine fractures. Despite numerous classification systems, controversy persists regarding the ideal treatment of these fractures, especially in elderly and medically frail patients.
Research question: This article aims to provide a systematic review of odontoid fracture classifications and assess their clinical applicability.
Material and methods: A systematic literature review was conducted in PubMed, Embase, and Cochrane databases using the terms "odontoid", "fracture", and "classification". Articles published between 1974 and 2024 were analyzed and those containing odontoid fracture classifications were included.
Results: Four hundred and fifty-seven articles were identified, and 32 were selected for detailed investigation. Seven articles were selected after reviewing the full text, and four additional articles cited in the references were included, from which two were published before 1974. A total of eleven classification systems were found in the literature. The classifications were based on the position and direction of the fracture line, displacement, angulation, embryology, and odontoid anatomy. The AO Spine Classification System was among the more recent frameworks reviewed and analyzes the presence of ligamentous injury or translation.
Discussion and conclusions: Anderson and D'Alonzo, Roy-Camille, Grauer, and the AO Spine Classification System are the most commonly applied in clinical practice. However, existing systems lack specific considerations for osteoporosis and the medical frailty of elderly patients, who constitute a substantial portion of cases. Future classification systems should address these factors to better guide treatment for this population. - ArticleKähler ST, Wendt M, Dühnen IM, Luna-Rodriguez A, Jacobsen T.Acta Psychol (Amst). 2024 May;245:104205.Attention can be directed to the global or local level of a visual stimulus (i.e., Navon figure). Previous studies yielded reliable trial-to-trial level switch costs (i.e., worse performance when responding to the other level than on a previous trial), even though level cueing effects indicated anticipatory deployment of attention to the upcoming target level. To investigate the interplay of attentional preparation and persistence, we applied a probe trial method assumed to ensure a high degree of preparation for the upcoming target level and minimizing stimulus-specific proactive interference. Mirroring previous findings obtained in the domain of spatial attention, we found evidence for anticipatory attentional focusing on global/local target levels but not for persistence of the attentional set adopted on the previous trial. In a second experiment, we prevented preparation for upcoming attentional demands (in both global-local and spatial attention tasks). This resulted in the modulation of performance (in critical probe trials) by the attentional demands of the predecessor trial. Together, our findings demonstrate sensitivity of the probe trial method for attentional persistence and raise the possibility that such persistence can be completely eliminated by sufficiently strong preparation for the attentional demands of the following trial.
- ArticleChen C, Liu Y, Tian H, Ai L, Yu H.Food Microbiol. 2023 May;111:104205.
- ArticleHe AX, Huang S, Waxman S, Arunachalam S.Cognition. 2020 05;198:104205.Successful word learning requires establishing an initial representation that is sufficiently robust to be retained in memory. Sleep has profound advantages for memory consolidation, but evidence concerning the effects of sleep in young children's word learning is slim and focuses almost exclusively on learning nouns. Verbs are representationally more complex and are often learned from non-concurrent linguistic and observational information (e.g., hearing "let's pour your milk" before the pouring event takes place). What remains unknown is whether initial representations built this way are robust enough to sustain a delay, and how these representations are affected by sleep. We presented two-year-olds with non-concurrent linguistic and observational information about novel verbs and immediately tested their knowledge of the verbs' meanings by evaluating their eye gaze as they looked at potential referents. Then, after a 4-hour delay during which half of the children napped and half remained awake, we retested them to see if they remembered the verbs' meanings. The results demonstrate differences in two-year-olds' representations of a novel verb before and after the delay; specifically, their verb representations withstood the 4-hour delay if they had napped, but decayed if they had remained awake.
- ArticleBergamino MA, López-Knowles E, Morani G, Tovey H, Kilburn L, Schuster EF, Alataki A, Hills M, Xiao H, Holcombe C, Skene A, Robertson JF, Smith IE, Bliss JM, Dowsett M, Cheang MCU, POETIC investigators.EBioMedicine. 2022 Sep;83:104205.BACKGROUND: Oestrogen receptor positive/ human epidermal growth factor receptor positive (ER+/HER2+) breast cancers (BCs) are less responsive to endocrine therapy than ER+/HER2- tumours. Mechanisms underpinning the differential behaviour of ER+HER2+ tumours are poorly characterised. Our aim was to identify biomarkers of response to 2 weeks' presurgical AI treatment in ER+/HER2+ BCs.
METHODS: All available ER+/HER2+ BC baseline tumours (n=342) in the POETIC trial were gene expression profiled using BC360™ (NanoString) covering intrinsic subtypes and 46 key biological signatures. Early response to AI was assessed by changes in Ki67 expression and residual Ki67 at 2 weeks (Ki672wk). Time-To-Recurrence (TTR) was estimated using Kaplan-Meier methods and Cox models adjusted for standard clinicopathological variables. New molecular subgroups (MS) were identified using consensus clustering.
FINDINGS: HER2-enriched (HER2-E) subtype BCs (44.7% of the total) showed poorer Ki67 response and higher Ki672wk (p<0.0001) than non-HER2-E BCs. High expression of ERBB2 expression, homologous recombination deficiency (HRD) and TP53 mutational score were associated with poor response and immune-related signatures with High Ki672wk. Five new MS that were associated with differential response to AI were identified. HER2-E had significantly poorer TTR compared to Luminal BCs (HR 2.55, 95% CI 1.14-5.69; p=0.0222). The new MS were independent predictors of TTR, adding significant value beyond intrinsic subtypes.
INTERPRETATION: Our results show HER2-E as a standardised biomarker associated with poor response to AI and worse outcome in ER+/HER2+. HRD, TP53 mutational score and immune-tumour tolerance are predictive biomarkers for poor response to AI. Lastly, novel MS identify additional non-HER2-E tumours not responding to AI with an increased risk of relapse.
FUNDING: Cancer Research UK (CRUK/07/015). - ArticleOzan G, Sancakli HS, Erdemir U, Yaman BC, Yildiz SO, Yildiz E.J Dent. 2022 08;123:104205.OBJECTIVES: The purpose of the present clinical evaluation was to investigate the effect of a fissure sealant and a flowable composite at fissures of permanent molars in terms of retention and caries-incidence rates over a 36-month period.
METHODS: Thirty-four patients, ages varied from 16 to 22 years, diagnosed with at least 2 non-cavitated pit-and-fissure caries in the first and second molars were involved in the study. A total of 220 sealants, were placed in 117 upper molars and 103 lower molars. Teeth were sealed with either a flowable resin composite (Tetric Evo Flow) or a sealant material (Helioseal F)(n = 110). Each restoration was evaluated in terms of retention and caries incidence at 6, 12, 24 and 36 months according to their location as well. Data were analyzed using Mann-Whitney U, Friedman and 1-way ANOVA tests at p < 0.05.
RESULTS: Tetric Evo Flow showed total retention with 95.5%, 93.8%, 88.5% and 80.2% at 6, 12, 24 and 36-month follow-ups respectively, while Helioseal F had retention rates of 95.5%, 94.8%, 85.4% and 80.2% respectively. After 36-months, there were 6 subjects totally lost in Helioseal F group, whereas 7 of the Tetric Evo Flow sunjects were totally lost. Caries development was firstly detected at 12-month evaluation for both of the materials however, no significant differences were observed among materials in retention rates or caries incidence after 36-month follow-ups (p > 0.05).
SIGNIFICANCE: Using the flowable composite found as effective as the fissure sealant after 36-months regarding retention and caries incidence rates. - ArticlePamidi V, Trivedi S, Behara S, Fichtner M, Reddy MA.iScience. 2022 May 20;25(5):104205.Confining the particle-electrolyte interactions to the particle surface in electrode materials is vital to develop sustainable and safe batteries. Micron-sized single-crystal particles offer such opportunities. Owing to the reduced surface area and grain boundary-free core, particle-electrolyte interactions in micron-sized single-crystal particles will be confined to the particle surface. Here, we reveal the potential of such materials in sodium-ion batteries. We synthesized and investigated the chemical, electrochemical, and thermal properties of single-crystalline P2-type Na0.7Mn0.9Mg0.1O2 as a cathode material for sodium-ion batteries. Single-crystalline Na0.7Mn0.9Mg0.1O2 with a mean particle size of 8.1 μm exhibited high cycling and voltage stability. In addition, the exothermic heat released by the charged single-crystal Na0.7Mn0.9Mg0.1O2 cathodes was four times lower than that of the corresponding polycrystalline Na0.7Mn0.9Mg0.1O2. This significantly enhances the thermal stability of electrode materials and possibly mitigates thermal runaways in batteries. Surprisingly, single crystals of Na0.7Mn0.9Mg0.1O2 were relatively stable in water and ambient atmosphere.
- ArticleAdelson RP, Palikuqi B, Weiss Z, Checco A, Schreiner R, Rafii S, Rabbany SY.Microvasc Res. 2021 11;138:104205.The rapid engraftment of vascular networks is critical for functional incorporation of tissue explants. However, existing methods for inducing angiogenesis utilize approaches that yield vasculature with poor temporal stability or inadequate mechanical integrity, which reduce their robustness in vivo. The transcription factor Ets variant 2 (Etv2) specifies embryonic hematopoietic and vascular endothelial cell (EC) development, and is transiently reactivated during postnatal vascular regeneration and tumor angiogenesis. This study investigates the role for Etv2 upregulation in forming stable vascular beds both in vitro and in vivo. Control and Etv2+ prototypical fetal-derived human umbilical vein ECs (HUVECs) and adult ECs were angiogenically grown into vascular beds. These vessel beds were characterized using fractal dimension and lacunarity, to quantify their branching complexity and space-filling homogeneity, respectively. Atomic force microscopy (AFM) was used to explore whether greater complexity and homogeneity lead to more mechanically stable vessels. Additionally, markers of EC integrity were used to probe for mechanistic clues. Etv2+ HUVECs exhibit greater branching, vessel density, and structural homogeneity, and decreased stiffness in vitro and in vivo, indicating a greater propensity for stable vessel formation. When co-cultured with colon tumor organoid tissue, Etv2+ HUVECs had decreased fractal dimension and lacunarity compared to Etv2+ HUVECs cultured alone, indicating that vessel density and homogeneity of vessel spacing increased due to the presence of Etv2. This study sets forth the novel concept that fractal dimension, lacunarity, and AFM are as informative as conventional angiogenic measurements, including vessel branching and density, to assess vascular perfusion and stability.
- ArticleXu B, Lee EM, Medina A, Sun X, Wang D, Tang H, Zhou GC.Bioorg Chem. 2020 11;104:104205.Zika virus (ZIKV) infection represents a significant threat to the global health system, and the search for efficient antivirals to ZIKV remains necessary and urgent. In this study, we extended the exploration of our previously discovered scaffold of 1H-pyrrolo[1,2-c]imidazol-1-one and revealed that two trans isomers of compounds 2 and 7 and one mixture with major trans isomer of compound 3 as novel tetrahydroquinoline-fused imidazolone derivatives are active against ZIKV infection but they are not virucidal. Western Blot and ELISA analyses of ZIKV NS5 and NS1 further demonstrate that compounds of (±)-2, (±)-3 and (±)-7 act as effective agents against ZIKV infection. We show that the N10's basicity is not the basic requirement for these compounds' antiviral activity in the current work. Importantly, tuning of some pharmacophores including substituents at arene can generate promising candidates for anti-ZIKV agents.
- ArticleKondo A, Tanaka H, Rai S, Shima H, Matsumura I, Watanabe T.Exp Hematol. 2024 May;133:104205.Protein phosphatase 6 (PP6) is a serine/threonine (Ser/Thr) protein phosphatase, and its catalytic subunit is Ppp6c. PP6 forms the PP2A subfamily with PP2A and PP4. The diverse phenotypes observed following small interfering RNA (siRNA)-based knockdown of Ppp6c in cultured mammalian cells suggest that PP6 plays roles in cell growth and DNA repair. There is also evidence that PP6 regulates nuclear factor kappa B (NF-κB) signaling and mitogen-activated protein kinases and inactivates transforming growth factor-β-activated kinase 1 (TAK1). Loss of Ppp6c causes several abnormalities, including those of T cell and regulatory T cell function, neurogenesis, oogenesis, and spermatogenesis. PP2A has been reported to play an important role in erythropoiesis. However, the roles of PP6 in other hematopoietic cells have not been investigated. We generated Ppp6cfl/fl;Tie2-Cre (Ppp6cTKO) mice, in which Ppp6c was specifically deleted in hematopoietic and vascular endothelial cells. Ppp6cTKO mice displayed embryonic lethality. Ppp6c deficiency increased the number of dead cells and decreased the percentages of erythroid and monocytic cells during fetal hematopoiesis. By contrast, the number of Lin-Sca-1+c-Kit+ cells, which give rise to all hematopoietic cells, was slightly increased, but their colony-forming cell activity was markedly decreased. Ppp6c deficiency also increased phosphorylation of extracellular signal-regulated kinase 1/2 and c-Jun amino (N)-terminal kinase in fetal liver hematopoietic cells.
- ArticleBianca E, Dotti F, Orrico F, Ferri A.Appl Ergon. 2024 Apr;116:104205.Thermal comfort plays a crucial role in the performance and well-being of mountaineers, especially in extreme environments. The aim of this study was to develop a reliable protocol to assess the thermal comfort of mountaineering boots, with a specific focus on temperature variations in different regions of the foot and their correlation with physiological factors. Two different models of mountaineering boots were tested at two different environmental temperature (-15°C and -30°C). The mean skin temperature, measured according to International Standards BS EN ISO 9886:2004, was used as an indicator of overall thermal comfort. Physiological factors such as heart rate (HR), body mass index (BMI) and body surface area (BSA) were also measured to understand their relationship to thermoregulation. Kruskal-Wallis and Pearson's ProductMoment correlation tests were performed to investigate whether there was a statistically significant relationship. The results showed significant differences in foot temperature among the Testers, indicating variations in the perception of thermal comfort. The correlation analysis showed a strong positive relationship between mean skin temperature and HR, highlighting the influence of physiological factors on thermal comfort. In addition, the analysis showed that the dorsum and hallux areas had the largest temperature variations, suggesting the occurrence of vasoconstriction and potential discomfort. This study represents a preliminary approach to establishing a reliable protocol for assessing the thermal performance of cold protective footwear.
- ArticleDelaplace F, Ivanov S.Biosystems. 2020 Nov;197:104205.Discrete modelling frameworks of Biological networks can be divided in two distinct categories: Boolean and multivalued. Although multivalued networks are more expressive for qualifying the regulatory behaviours modelled by more than two values, the ability to automatically convert them to Boolean network with an equivalent behaviour breaks down the fundamental borders between the two approaches. Theoretically investigating the conversion process provides relevant insights into bridging the gap between them. Basically, the conversion aims at finding a Boolean network bisimulating a multivalued one. In this article, we investigate the bisimilar conversion where the Boolean integer coding is a parameter that can be freely modified. Based on this analysis, we define a computational method automatically inferring a bisimilar Boolean network from a given multivalued one.
- ArticleYang S, Wu CH, Chuang LY, Yang CH.Asian J Psychiatr. 2024 Nov;101:104205.Mental disorders are becoming increasingly prevalent worldwide, and accurate incidence forecasting is crucial for effective mental health strategies. This study developed a long short-term memory (LSTM)-based recurrent neural network model to predict schizophrenia in inpatients in Taiwan. Data was collected on individuals aged over 20 years and diagnosed with schizophrenia between 1998 and 2015 from the National Health Insurance Research Database (NHIRD). The study compared six models, including LSTM, exponential smoothing, autoregressive integrated moving average, particle swarm optimization (PSO), PSO-based support vector regression, and deep neural network models, in terms of their predictive performance. The results showed that the LSTM model had the best accuracy, with the lowest mean absolute percentage error (2.34), root mean square error (157.42), and mean average error (154,831.70). This finding highlights the reliability of the LSTM model for forecasting mental disorder incidence. The study's findings provide valuable insights that can help government administrators devise clinical strategies for schizophrenia, and policymakers can use these predictions to formulate healthcare education and financial planning initiatives, fostering support networks for patients, caregivers, and the public.
- ArticleWang Y, Zhou C, Wu X, Liu L, Deng L.Med Eng Phys. 2024 08;130:104205.OBJECTIVES: Intimal tears caused by aortic dissection can weaken the arterial wall and lead to aortic aneurysms. However, the effect of different tear states on the blood flow behaviour remains complex. This study uses a novel approach that combines numerical haemodynamic simulation with in vitro experiments to elucidate the effect of arterial dissection rupture on the complex blood flow state within the abdominal aneurysm and the endogenous causes of end-organ malperfusion.
MATERIALS AND METHODS: Based on the CT imaging data and clinical physiological parameters, the overall arterial models including aortic dissection and aneurysm with single tear and double tear were established, and the turbulence behaviours and haemodynamic characteristics of arterial dissection and aneurysm under different blood pressures were simulated by using non-Newtonian flow fluids with the pulsatile blood flow rate of the clinical patients as a cycle, and the results of the numerical simulation were verified by in vitro simulation experiments.
RESULTS: Hemodynamic simulations revealed that the aneurysm and single-tear false lumen generated a maximum pressure of 320.591 mmHg, 267 % over the 120 mmHg criterion. The pressure differential generates reflux, leading to a WSS of 2247.9 Pa at the TL inlet and blood flow velocities of up to 6.41 m/s inducing extend of the inlet. DTD Medium FL instantaneous WP above 120 mmHg Standard 151 % Additionally, there was 82.5 % higher flow in the right iliac aorta than in the left iliac aorta, which triggered malperfusion. Thrombus was accumulated distal to the tear and turbulence. These results are consistent with the findings of the in vitro experiments.
CONCLUSIONS: This study reveals the haemodynamic mechanisms by which aortic dissection induces aortic aneurysms to produce different risk states. This will contribute to in vitro simulation studies as a new fulcrum in the process of moving from numerical simulation to clinical trials. - ArticleTagliabue G, Ji M, Zuege DJ, Easton PA.Respir Physiol Neurobiol. 2024 03;321:104205.BACKGROUND: There is increasing clinical interest in understanding the contribution of the diaphragm in early expiration, especially during mechanical ventilation. However, current experimental evidence is limited, so essential activity of the diaphragm during expiration and diaphragm segmental differences in expiratory activity, are unknown.
OBJECTIVES: To determine if: 1) the diaphragm is normally active into expiration during spontaneous breathing and hypercapnic ventilation, 2) expiratory diaphragmatic activity is distributed equally among the segments of the diaphragm, costal and crural.
METHODS: In 30 spontaneously breathing male and female canines, awake without confounding anesthetic, we measured directly both inspiratory and expiratory electrical activity (EMG), and corresponding mechanical shortening, of costal and crural diaphragm, during room air and hypercapnia.
RESULTS: During eupnea, costal and crural diaphragm are active into expiration, showing significant and distinct expiratory activity, with crural expiratory activity greater than costal, for both magnitude and duration. This diaphragm segmental difference diverged further during progressive hypercapnic ventilation: crural expiratory activity progressively increased, while costal expiratory activity disappeared.
CONCLUSION: The diaphragm is not passive during expiration. During spontaneous breathing, expiratory activity -"braking"- of the diaphragm is expressed routinely, but is not equally distributed. Crural muscle "braking" is greater than costal muscle in magnitude and duration. With increasing ventilation during hypercapnia, expiratory activity -"braking"- diverges notably. Crural expiratory activity greatly increases, while costal expiratory "braking" decreases in magnitude and duration, and disappears. Thus, diaphragm expiratory "braking" action represents an inherent, physiological function of the diaphragm, distinct for each segment, expressing differing neural activation. - ArticleMuhammad T, Ismail S, Ikhwanuddin M, Abol-Munafi AB.Data Brief. 2019 Aug;25:104205.The data collected in the present work correspond to the behavioral, Hepatosomatic Index (HSI), Gonadosomatic Index (GSI) and total lipid analysis between male and female mud crabs, Scylla olivacea at different water velocities. A total of 56 immature male and female crabs were used in this data article. The important criteria for estimating the selective habitat facing by S. olivacea is a considerate of (1) the behavioral range in response to abiotic factors (and how it adapt ontogenetically) and (2) the movement of the crab under wild velocities situations. This work purposes to recognize the performance, locomotion rate and escaping capability of S. olivacea under stagnant and flowing water situations and to discuss the significance of horizontal walking to habitat choice. The collective outcomes clearly show that the locomotor activities and escaping capabilities of S. olivacea were influenced by water flow in the mangrove habitats. For the HSI data, velocities of 20 cm/s were the highest increased mean HSI percentage and highest mean HSI percentage in males and females was recorded on the end of the experiment. For GSI percentage of male and female crabs, 20 cm/s dominates the highest increases mean GSI, followed by 60, 40 and 0 cm/s. For total lipid percentage, the results showed that, the mean total lipid of hepatopancrease, muscle and gonad were increased at the beginning and decreased at the final in each water velocities except for 20 cm/s over a culture period of 60 days. Velocities of 20 cm/s were the highest increased mean total lipid percentage followed by 40, 60, and lastly 0 cm/s. The high flow velocities inhibit the production of hepatopancrease and gonad, in terms of nutrients from food used to endeavor the stress condition faced.
- ArticleUrayama S, Tanaka A, Kusano K, Sato H, Muranaka M, Mita H, Nagashima T, Matsuda H.J Equine Vet Sci. 2023 02;121:104205.Flunixin meglumine (FM), a nonselective cyclooxygenase (COX) inhibitor, is most frequently selected for the treatment of equine systemic inflammatory response syndrome (SIRS)/endotoxemia. However, FM has considerable adverse effects on gastrointestinal function. The aims of this study were to compare the effect of meloxicam (MX), a COX-2 selective inhibitor commonly used in equine clinical practice, with FM, and to investigate the potential for clinical application in horses with SIRS/endotoxemia. Fifteen horses were divided into three groups of five and orally administered MX (0.6 mg/kg), FM (1.1 mg/kg), or saline as placebo at 30 minutes after LPS challenge. Clinical parameters, including behavioral pain scores, were recorded and blood for clinical pathological data was collected at various times from 60 minutes before to 420 minutes after LPS infusion. The pain score were significantly lower in both the MX and FM groups than in the placebo group, with no significant difference between them. Body temperature was significantly lower in the MX and FM groups than in the placebo group. Heart rates and respiratory rates, hoof wall surface temperature, and leukocyte counts changed similarly between the MX and FM groups. TNF-α and cortisol were lower in the FM group than in the MX group. The results suggest that MX suppresses the inflammatory response after LPS infusion and has an analgesic effect similar to that of FM. Given the adverse effects of nonselective COX inhibitors, clinical application of MX may be beneficial in horses with SIRS/endotoxemia.
- ArticleSpiller K, Ossenberg C, Takashima M, Henderson A.Nurse Educ Pract. 2025 Jan;82:104205.AIM: This study explored the achievement of workplace capabilities synonymous with nursing practice. It investigated progressive development of workplace performance, against requisite standards of practice, of corresponding cohorts of student nurses during their final year placement and registered nurses during their graduate year, in south-eastern Queensland, Australia.
BACKGROUND: A capable nursing workforce is vital for the provision of safe, quality health care. Internationally, the literature discusses the breadth of capacities required for the practice of nursing. A perennial challenge is comprehensive pre-registration education that ensures new graduate nurses meet standards for practice to provide comprehensive care.
METHODS: A quantitative evaluation design was used to assess the progressive development of workplace performance of both student nurses across their final year placement (n = 214) and graduate nurses in their first nine months (n = 197). Capabilities of both cohorts were assessed using the Australian Nursing Standards Assessment Tool (ANSAT), based on Australian registered nurses' standards for practice that has demonstrated utility and validity for both students and graduates.
RESULTS: A total of 642 student assessments and 409 graduate nurse assessments were used for analysis. Findings revealed congruence in weaknesses in workplace performance for both students and graduates. Students and graduates consistently rated lowest in capabilities pertaining to high cognitive tasks that involved analysing data and modifying plans. Of interest, completing comprehensive, systematic assessments was stronger in students than in graduates.
CONCLUSION: This is the first comparable quantitative study exploring the progressive development of students and graduate nurses' workplace performance aligned to nursing practice standards. Questions of limitations throughout educational learning experiences during industry placement are raised in these findings. Furthermore, it is proposed that educational approaches be organised to address areas identified as weakest on graduation as these are most evident in initial employment. This research explicates a largely undefined area of nursing practice that can inform undergraduate learning priorities. - ArticleAmera GM, Khan RJ, Pathak A, Jha RK, Muthukumaran J, Singh AK.Microb Pathog. 2020 Oct;147:104205.A. baumannii has been considered as Priority-I as suggested by the World Health Organization (WHO) and the most critical pathogenic microorganism for causing nosocomial infection in imunno-compromised hospital-acquired patients due to multi-drug resistance (MDR). In the current study, we utilized "Computer-aided ligand-based virtual screening approach" for identification of promising molecules against Mur family proteins based on the known inhibitor (Naphthyl Tetronic Acids ((5Z)-3-(4-chlorophenyl)-4-hydroxy-5-(1-naphthylmethylene) furan-2(5H)-one)) of MurB from E. coli. The in-house library was prepared using a similarity search of a known inhibitor (Drug Bank ID: DB07296) against several relevant chemical databases. The molecules obtained from virtual screening of Naphthyl Tetronic Acids in-house library were successively subjected to physicochemical and ADMET screening. After this, the molecules which passed all the filters, subsequently subjected into interaction analysis with the drug target proteins (MurB, MurD, MurE and MurG) of A. baumanni and the results explained that four molecules were promising (CHEMBL468144, DB07296, Enamine_T5956969 and 54723243) for further molecular dynamics simulations. The free and ligand bounded proteins that undergone MD simulation are listed as follows: MurB, MurB-CHEMBL468144, MurB-DB07296, MurE, MurE-54723243, MurE-DB07296, MurD, MurD-Enamine_T5956969, MurD-DB07296, MurG, MurG-CHEMBL468144, and MurG-DB07296. Based on global and essential dynamics analysis, the stability order of molecules towards MurB (CHEMBL468144 > DB07296); MurD (Enamine_T5956969 > DB07296); MurE (54723243 > DB07296) and MurG (CHEMBL468144 > DB07296) indicates that the newly identified molecules are more promising one in comparison with the existing inhibitor. Based on all the docking and MD simulation results, the stability order of the free and ligand bounded protein are as follows; MurB and MurB-ligand complexes > MurD and MurD-ligand complexes > MurG and MurG-ligand complexes > MurE and MurE-ligand complexes. Finally, the selected compounds would be recommended for further experimental investigations and used as promising inhibitors of the infection caused by A. baumannii.
- ArticleMarshall PW, Morrison NMV, Gibbs M, Schabrun SM.Behav Res Ther. 2022 12;159:104205.Despite being a first-line treatment recommendation, there is uncertainly for how exercise helps people with chronic low back pain. We designed this study to examine how exercise might help people with chronic low back pain by following a large community sample for 1-year. Qualitative questionnaires and self-report measures were collected every 3-months for 1-year in 400 people with chronic low back pain. People were not provided any specific treatment advice as part of this study but were allowed to engage with any normal physical activity, treatment, or medication as part of their normal life. Exercise engagement was defined from inspection of participant qualitative responses, according to minimum acceptable levels of exercise that elicit symptom reduction. Multiple mediation analysis was performed to examine the effect of exercise engagement on disability through the proposed mediators (pain, fear, catastrophizing, depression, anxiety, self-efficacy). The significant effect of exercise engagement on reductions in disability at 6- and 12-months was explained through pain and catastrophizing. People with chronic low back pain who reported worsening of symptoms over the year had similar reporting of exercise throughout the 12-months to people who had improvements in disability. Exercise can reduce disability through the effect on pain and catastrophizing, but how this effect occurs (i.e., an active or passive component of exercise) is unclear.