keyword
https://read.qxmd.com/read/38633987/quantum-assisted-fragment-based-automated-structure-generator-qfasg-for-small-molecule-design-an-in-vitro-study
#21
JOURNAL ARTICLE
Sergei Evteev, Yan Ivanenkov, Ivan Semenov, Maxim Malkov, Olga Mazaleva, Artem Bodunov, Dmitry Bezrukov, Denis Sidorenko, Victor Terentiev, Alex Malyshev, Bogdan Zagribelnyy, Anastasia Korzhenevskaya, Alex Aliper, Alex Zhavoronkov
Introduction: The significance of automated drug design using virtual generative models has steadily grown in recent years. While deep learning-driven solutions have received growing attention, only a few modern AI-assisted generative chemistry platforms have demonstrated the ability to produce valuable structures. At the same time, virtual fragment-based drug design, which was previously less popular due to the high computational costs, has become more attractive with the development of new chemoinformatic techniques and powerful computing technologies...
2024: Frontiers in Chemistry
https://read.qxmd.com/read/38633663/inhibiting-the-isolated-island-effect-in-simulated-bone-defect-repair-using-a-hollow-structural-scaffold-design
#22
JOURNAL ARTICLE
Xiao Liu, Jianpeng Gao, Jianheng Liu, Licheng Zhang, Ming Li
The treatment of bone tissue defects remains a complicated clinical challenge. Recently, the bone tissue engineering (BTE) technology has become an important therapeutic approach for bone defect repair. Researchers have improved the scaffolds, cells, and bioactive factors used in BTE through various existing bone repair material preparation strategies. However, due to insufficient vascularization, inadequate degradation, and fibrous wrapping, most BTE scaffolds impede new bone ingrowth and the reconstruction of grid-like connections in the middle and late stages of bone repair...
2024: Frontiers in Bioengineering and Biotechnology
https://read.qxmd.com/read/38633594/digital-futures-of-learning-pharmacology-and-medicinal-and-organic-chemistry
#23
JOURNAL ARTICLE
Fun Man Fung, Etienne Blanc, Xavier Coumoul
Traditional pharmacology and medicinal and organic chemistry teaching often rely on the trusted textbook visuals. However, students may struggle to grasp mechanisms that appear too complex. Because the pandemic has mandated the majority of educators to use new techniques and innovative technology in their communication approaches with students, we offer several digital strategies for educators to explore and/or to enhance student learning. These technology-infused strategies are drawn from our cross-country (Singapore and France) teaching and research experiences and expertise...
April 12, 2024: ACS Pharmacology & Translational Science
https://read.qxmd.com/read/38633578/a-novel-approach-to-deep-venous-arterialization-using-wavelinq-endoavf-technology
#24
Olivia K Pickering, Thavenesh K Ramachandren, Rebecca Mortensen, Christopher L Delaney
Deep venous arterialization is increasingly being considered for the management of patients with "no option chronic limb threatening ischemia" (CLTI) who would otherwise require a major limb amputation. WavelinQ (Becton Dickinson) is a new technology increasing in popularity for its role in the formation of endovascular arteriovenous fistulas but might well have applications in other areas of vascular surgery. We present a novel approach to deep venous arterialization using WavelinQ arteriovenous fistula technology for a patient with nonreconstructable chronic limb threatening ischemia experiencing both rest pain and forefoot gangrene...
June 2024: Journal of Vascular Surgery Cases and Innovative Techniques
https://read.qxmd.com/read/38633450/medical-students-perception-of-telesimulation-training-a-qualitative-analysis
#25
JOURNAL ARTICLE
Jo-Ann Khoury, Dourra Assani, Marie-Pier Vandette, Manon Denis-LeBlanc, Isabelle Burnier, Salomon Fotsing
OBJECTIVES: Over the past 2 decades, simulation-based learning has become an essential part of medical training. Simulated clinics have proven to be effective for training medical students. Even so, this learning method presents organizational and financial challenges that limit its dissemination to all medical students, especially since the COVID-19 pandemic. Simulated teleconsultation retains the advantages of interactive simulated clinics while offering concrete solutions to the challenges faced...
2024: Journal of Medical Education and Curricular Development
https://read.qxmd.com/read/38633177/expression-of-recombinant-florida-clade-2-hemagglutinin-in-baculovirus-expression-system-a-step-for-subunit-vaccine-development-against-h3n8-equine-influenza-virus
#26
JOURNAL ARTICLE
Ahmed S Atwa, Lamis Gomaa, Wael Elmenofy, Haitham M Amer, Basem M Ahmed
BACKGROUND: Equine influenza (EI) is a transmissible viral respiratory sickness of the Equidae family. Two viruses, H7N7 and H3N8 caused EI; however, H7N7 has not been detected for decades. H3N8 has circulated and bifurcated into Eurasian and American lineages. The latter subsequently diversified into Kentucky, South America, and Florida sub-lineages. Florida clade 1 (FC1) and Florida clade 2 (FC2) strains are the only circulating EI viruses (EIVs) in the meantime. Immunization is considered the major means for the prevention and control of EI infection...
January 2024: Open Veterinary Journal
https://read.qxmd.com/read/38633155/application-of-some-inorganic-metal-oxide-nanoparticles-to-control-e-coli-in-raw-milk
#27
JOURNAL ARTICLE
Ashraf M Nazem, Eman K Abo Shaala, Sameh A Awad
BACKGROUND: Nanoparticles are regarded as magical bullets because of their exclusive features. Recently, the usage of nanoparticles has progressed in almost all aspects of science and technology due to its ability to revolutionize certain fields. In the field of food science and technology, the application of nanoparticles is being researched in many various areas thus provides the dairy industry with a variety of new attitudes for developing the quality, prolong shelf life, ensure the safety and healthiness of foods...
January 2024: Open Veterinary Journal
https://read.qxmd.com/read/38633133/profiling-genome-wide-methylation-in-two-maples-fine-scale-approaches-to-detection-with-nanopore-technology
#28
JOURNAL ARTICLE
Susan L McEvoy, Patrick G S Grady, Nicole Pauloski, Rachel J O'Neill, Jill L Wegrzyn
DNA methylation is critical to the regulation of transposable elements and gene expression and can play an important role in the adaptation of stress response mechanisms in plants. Traditional methods of methylation quantification rely on bisulfite conversion that can compromise accuracy. Recent advances in long-read sequencing technologies allow for methylation detection in real time. The associated algorithms that interpret these modifications have evolved from strictly statistical approaches to Hidden Markov Models and, recently, deep learning approaches...
April 2024: Evolutionary Applications
https://read.qxmd.com/read/38632926/nontargeted-analysis-of-coumarins-in-source-water-and-their-formation-of-chlorinated-coumarins-as-dbps-in-drinking-water
#29
JOURNAL ARTICLE
Haozhe Liu, Meng Zou, Hongyan Pei, Chunjing Chen, Yan Huang, Lilin Xiong, Qian Wu, Rongrong Qiao, Xiaojie Sun, Lei Li, Jun Yang, Jing Zhang, Guang Huang
Coumarin was detected as one of the most abundant compounds by nontargeted analysis of natural product components in actual water samples prior to disinfection. More importantly, prechlorination of humic acid generated 3-hydroxycoumarin and monohydroxy-monomethyl-substituted coumarin with a total yield of ≤10.1%, which suggested the humic substance in raw water is an important source of coumarins. 7-Hydroxycoumarin, 6-hydroxy-4-methylcoumarin, 6,7-dihydroxycoumarin, and 7-methoxy-4-methylcoumarin were identified in raw water by high-performance liquid chromatography-tandem high-resolution mass spectrometry because only some coumarin standards were commercially available...
April 17, 2024: Environmental Science & Technology
https://read.qxmd.com/read/38632840/head-impact-exposure-in-hawaiian-high-school-football-influence-of-adherence-rates-on-a-helmetless-tackling-and-blocking-training-intervention
#30
JOURNAL ARTICLE
Erik E Swartz, Jay L Myers, Jong Soo Lee, Steven P Broglio, Troy Furutani, Ross Oshiro, Gerard A Gioia, Darian Brothers, Kiera Glodowski, Ivet Lloansi, Lauren Meyer, Nathan Murata
CONTEXT: High school football remains a popular, physically demanding sport despite the known risks for acute brain and neck injury. Impacts to the head also raise concerns about their cumulative effects and long-term health consequences. OBJECTIVE: To examine the effectiveness of a helmetless tackling training program to reduce head impact exposure in football participants. DESIGN: A three-year, quasi-experimental, prospective cohort (clinicaltrials...
April 18, 2024: Journal of Athletic Training
https://read.qxmd.com/read/38632720/cavity-approach-for-the-approximation-of-spectral-density-of-graphs-with-heterogeneous-structures
#31
JOURNAL ARTICLE
Grover E C Guzman, Peter F Stadler, Andre Fujita
Graphs have become widely used to represent and study social, biological, and technological systems. Statistical methods to analyze empirical graphs were proposed based on the graph's spectral density. However, their running time is cubic in the number of vertices, precluding direct application to large instances. Thus, efficient algorithms to calculate the spectral density become necessary. For sparse graphs, the cavity method can efficiently approximate the spectral density of locally treelike undirected and directed graphs...
March 2024: Physical Review. E
https://read.qxmd.com/read/38632523/comprehensive-genomic-analysis-of-the-sars-cov-2-omicron-variant-ba-2-76-in-jining-city-china-2022
#32
JOURNAL ARTICLE
Qiang Yin, Wei Liu, Yajuan Jiang, Qiang Feng, Xiaoyu Wang, Huixin Dou, Zanzan Liu, Feifei He, Yingying Fan, Baihai Jiao, Boyan Jiao
OBJECTIVE: This study aims to analyze the molecular characteristics of the novel coronavirus (SARS-CoV-2) Omicron variant BA.2.76 in Jining City, China. METHODS: Whole-genome sequencing was performed on 87 cases of SARS-CoV-2 infection. Evolutionary trees were constructed using bioinformatics software to analyze sequence homology, variant sites, N-glycosylation sites, and phosphorylation sites. RESULTS: All 87 SARS-CoV-2 whole-genome sequences were classified under the evolutionary branch of the Omicron variant BA...
April 17, 2024: BMC Genomics
https://read.qxmd.com/read/38632130/maldi-mass-spectrometry-imaging-as-a-new-technique-for-detecting-non-heme-iron-in-peripheral-tissues-via-caudal-vein-injection-of-deferoxamine
#33
JOURNAL ARTICLE
Xiaofang Jin, Xintong Shi, Tong Zhang, Xingyao Li, Yajing Xie, Siyu Tian, Kang Han
As one of the most common iron-chelating agents, deferoxamine (DFO) rapidly chelates iron in the body. Moreover, it does not compete for the iron characteristic of hemoglobin in the blood cells, which is common in the clinical treatment of iron poisoning. Iron is a trace element necessary to maintain organism normal life activities. Iron deficiency can lead to anemia, whereas iron overload can cause elevated levels of cellular oxidative stress and cell damage. As a consequence, detection of the iron content in tissues and blood is of great significance...
April 17, 2024: Analytical and Bioanalytical Chemistry
https://read.qxmd.com/read/38632112/current-understanding-of-subjective-tinnitus-in-adults
#34
REVIEW
Yao-Jie Kang, Yun Zheng
PURPOSE: An up-to-date overview of epidemiology, etiology and pathophysiological mechanisms, diagnostic and evaluation methods, current treatment status and future directions of subjective tinnitus in adults. METHODS: Review of current evidence-based literature on subjective tinnitus in adults. RESULTS: The prevalence of subjective tinnitus in the adult population is estimated to be around 14%, and it tends to increase with age. Subjective tinnitus is a complex condition with multiple factors contributing to its origin...
April 17, 2024: European Archives of Oto-rhino-laryngology
https://read.qxmd.com/read/38632010/fetal-neuroimaging-applications-for-diagnosis-and-counseling-of-brain-anomalies-current-practice-and-future-diagnostic-strategies
#35
REVIEW
Tomo Tarui, Alexis C Gimovsky, Neel Madan
Advances in fetal brain neuroimaging, especially fetal neurosonography and brain magnetic resonance imaging (MRI), allow safe and accurate anatomical assessments of fetal brain structures that serve as a foundation for prenatal diagnosis and counseling regarding fetal brain anomalies. Fetal neurosonography strategically assesses fetal brain anomalies suspected by screening ultrasound. Fetal brain MRI has unique technological features that overcome the anatomical limits of smaller fetal brain size and the unpredictable variable of intrauterine motion artifact...
April 10, 2024: Seminars in Fetal & Neonatal Medicine
https://read.qxmd.com/read/38631767/improving-epilepsy-diagnosis-across-the-lifespan-approaches-and-innovations
#36
REVIEW
Jacob Pellinen, Emma C Foster, Jo M Wilmshurst, Sameer M Zuberi, Jacqueline French
Epilepsy diagnosis is often delayed or inaccurate, exposing people to ongoing seizures and their substantial consequences until effective treatment is initiated. Important factors contributing to this problem include delayed recognition of seizure symptoms by patients and eyewitnesses; cultural, geographical, and financial barriers to seeking health care; and missed or delayed diagnosis by health-care providers. Epilepsy diagnosis involves several steps. The first step is recognition of epileptic seizures; next is classification of epilepsy type and whether an epilepsy syndrome is present; finally, the underlying epilepsy-associated comorbidities and potential causes must be identified, which differ across the lifespan...
May 2024: Lancet Neurology
https://read.qxmd.com/read/38631655/pilot-composite-tubular-bioreactor-for-outdoor-photo-fermentation-hydrogen-production-from-batch-to-continuous-operation
#37
JOURNAL ARTICLE
Changpeng Ren, Sihu Zhang, Qing Li, Qiushi Jiang, Yongbing Li, Zixuan Gao, Wen Cao, Liejin Guo
A novel 70 L composite tubular photo-bioreactor was constructed, and its photo-fermentation hydrogen production characteristics of batch and continuous modes were investigated with glucose as the substrate in an outdoor environment. In the batch fermentation stage, the hydrogen production rate peaked at 37.6 mL H2 /(L·h) accompanied by a high hydrogen yield of 7 mol H2 /mol glucose. The daytime light conversion efficiency is 4 %, with 37 % of light energy from the sun. An optimal hydraulic retention time of 5 d was identified during continuous photo-fermentation...
April 15, 2024: Bioresource Technology
https://read.qxmd.com/read/38631421/development-of-an-hplc-pda-method-for-the-simultaneous-estimation-of-three-antibiotics-in-pharmaceutical-formulations-and-bovine-milk-and-health-risk-assessment
#38
JOURNAL ARTICLE
Mohammad Nasir Uddin, Asif Hasnaine, Md Sajedul Haque, Suman Das, Monir Uddin, Dipankar Chakraborty, Mohammad Mostafa
A simple new, rapid, sensitive and cost-effective HPLC-PDA method was developed and validated for the determination of tetracycline (TC), oxytetracycline (OTC) and ciprofloxacin (CIP) simultaneously. Chromatographic separations were carried out using a reversed-phase Shim-pack GIS C18 column (4.60 × 250.00 mm; 5.00 µm) at 30°C. Oxalic acid (0.05 M), acetonitrile and methanol were used as mobile phase under gradient elution conditions at the flow rate 1.50 mL min-1 . Detection wavelength was set at 330 nm...
April 15, 2024: Journal of Food Protection
https://read.qxmd.com/read/38631380/identifying-barriers-to-the-implementation-of-communicating-narrative-concerns-entered-by-registered-nurses-an-early-warning-system-smartapp
#39
JOURNAL ARTICLE
Mollie Hobensack, Jennifer Withall, Brian Douthit, Kenrick Cato, Patricia Dykes, Sandy Cho, Graham Lowenthal, Catherine Ivory, Po-Yin Yen, Sarah Rossetti
BACKGROUND:  Nurses are at the frontline of detecting patient deterioration. We developed Communicating Narrative Concerns Entered by Registered Nurses (CONCERN), an early warning system for clinical deterioration that generates a risk prediction score utilizing nursing data. CONCERN was implemented as a randomized clinical trial at two health systems in the Northeastern United States. Following the implementation of CONCERN, our team sought to develop the CONCERN Implementation Toolkit to enable other hospital systems to adopt CONCERN...
March 2024: Applied Clinical Informatics
https://read.qxmd.com/read/38631347/directed-evolution-approach-to-empower-egfr-targeting-for-immunotherapy
#40
JOURNAL ARTICLE
Bunyarit Meksiriporn, Jamie B Spangler
Advances in directed-evolution technologies are enabling new strategies to isolate binding proteins that recognize disease-associated states of a target protein. In this issue of Cell Reports Methods, Dobersberger et al. devised a yeast display-based selection scheme to discover proteins that engage the cancer-associated activated state of a receptor to enable design of safe and effective immunotherapies.
April 6, 2024: Cell Rep Methods
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