keyword
https://read.qxmd.com/read/38537179/dispersion-control-over-molecule-cohesion-exploiting-and-dissecting-the-tipping-power-of-aromatic-rings
#1
JOURNAL ARTICLE
Ricardo A Mata, Tlektes Zhanabekova, Daniel A Obenchain, Martin A Suhm
ConspectusWe have learned over the past years how London dispersion forces can be effectively used to influence or even qualitatively tip the structure of aggregates and the conformation of single molecules. This happens despite the fact that single dispersion contacts are much weaker than competing polar forces. It is a classical case of strength by numbers, with the importance of London dispersion forces scaling with the system size. Knowledge about the tipping points, however difficult to attain, is necessary for a rational design of intermolecular forces...
March 27, 2024: Accounts of Chemical Research
https://read.qxmd.com/read/38537148/conformation-selection-by-atp-competitive-inhibitors-and-allosteric-communication-in-erk2
#2
JOURNAL ARTICLE
Jake W Anderson, David Vaisar, David N Jones, Laurel M Pegram, Guy P Vigers, Huifen Chen, John G Moffat, Natalie G Ahn
Activation of the extracellular signal-regulated kinase-2 (ERK2) by phosphorylation has been shown to involve changes in protein dynamics, as determined by hydrogen-deuterium exchange mass spectrometry (HDX-MS) and NMR relaxation dispersion measurements. These can be described by a global exchange between two conformational states of the active kinase, named 'L' and 'R,' where R is associated with a catalytically productive ATP-binding mode. An ATP-competitive ERK1/2 inhibitor, Vertex-11e, has properties of conformation selection for the R-state, revealing movements of the activation loop that are allosterically coupled to the kinase active site...
March 27, 2024: ELife
https://read.qxmd.com/read/38536974/distribution-of-benthic-macroinvertebrate-communities-in-different-kind-of-inland-water-bodies-in-northeastern-algeria
#3
JOURNAL ARTICLE
M Gharbi, N Ziane, A Baaloudj, P De Los Ríos-Escalante, C Esse, S Chaib, M Houhamdi
Benthic macroinvertebrates are integral parts of inland waters, inhabiting a diversity of aquatic ecosystems where communities are spatially structured. Macroinvertebrates of some Mediterranean regions such as North Africa are still not well studied. Due this reason we proposed study the community structure in water bodies located in Northeastern Algeria. For this objective, we sampled 12 different kind of water bodies, two dams, three rivers, and seven streams during the period from October 2020 to September 2021...
2024: Brazilian Journal of Biology
https://read.qxmd.com/read/38536964/lessons-from-insulin-policy-prescriptions-for-affordable-diabetes-and-obesity-medications
#4
REVIEW
Kathryn E Nagel, Reshma Ramachandran, Kasia J Lipska
Escalating insulin prices have prompted public scrutiny of the practices of drug manufacturers, pharmacy benefit managers, health insurers, and pharmacies involved in production and distribution of medications. As a result, a series of policies have been proposed or enacted to improve insulin affordability and foster greater equity in access. These policies have implications for other diabetes and obesity therapeutics. Recent legislation, at both the state and federal level, has capped insulin out-of-pocket payments for some patients...
March 27, 2024: Diabetes Care
https://read.qxmd.com/read/38536920/learning-the-sound-inventory-of-a-complex-vocal-skill-via-an-intrinsic-reward
#5
JOURNAL ARTICLE
Hazem Toutounji, Anja T Zai, Ofer Tchernichovski, Richard H R Hahnloser, Dina Lipkind
Reinforcement learning (RL) is thought to underlie the acquisition of vocal skills like birdsong and speech, where sounding like one's "tutor" is rewarding. However, what RL strategy generates the rich sound inventories for song or speech? We find that the standard actor-critic model of birdsong learning fails to explain juvenile zebra finches' efficient learning of multiple syllables. However, when we replace a single actor with multiple independent actors that jointly maximize a common intrinsic reward, then birds' empirical learning trajectories are accurately reproduced...
March 29, 2024: Science Advances
https://read.qxmd.com/read/38536877/comparative-study-on-differential-expression-analysis-methods-for-single-cell-rna-sequencing-data-with-small-biological-replicates-based-on-single-cell-transcriptional-data-of-pbmcs-from-covid-19-severe-patients
#6
JOURNAL ARTICLE
Jie Xue, Xinfan Zhou, Jing Yang, Adan Niu
Single-cell RNA sequencing (scRNA-seq) is a high-throughput experimental technique for studying gene expression at the single-cell level. As a key component of single-cell data analysis, differential expression analysis (DEA) serves as the foundation for all subsequent secondary studies. Despite the fact that biological replicates are of vital importance in DEA process, small biological replication is still common in sequencing experiment now, which may impose problems to current DEA methods. Therefore, it is necessary to conduct a thorough comparison of various DEA approaches under small biological replications...
2024: PloS One
https://read.qxmd.com/read/38536757/maintenance-of-persistent-transmission-of-a-plant-arbovirus-in-its-insect-vector-mediated-by-the-toll-dorsal-immune-pathway
#7
JOURNAL ARTICLE
Yu-Juan He, Gang Lu, Bo-Jie Xu, Qian-Zhuo Mao, Yu-Hua Qi, Gao-Yang Jiao, Hai-Tao Weng, Yan-Zhen Tian, Hai-Jian Huang, Chuan-Xi Zhang, Jian-Ping Chen, Jun-Min Li
Throughout evolution, arboviruses have developed various strategies to counteract the host's innate immune defenses to maintain persistent transmission. Recent studies have shown that, in addition to bacteria and fungi, the innate Toll-Dorsal immune system also plays an essential role in preventing viral infections in invertebrates. However, whether the classical Toll immune pathway is involved in maintaining the homeostatic process to ensure the persistent and propagative transmission of arboviruses in insect vectors remain unclear...
April 2, 2024: Proceedings of the National Academy of Sciences of the United States of America
https://read.qxmd.com/read/38536735/solvent-induced-dual-nucleophiles-and-the-%C3%AE-effect-in-the-s-n-2-versus-e2-competition
#8
JOURNAL ARTICLE
Xiangyu Wu, F Matthias Bickelhaupt, Jing Xie
We have quantum chemically investigated how microsolvation affects the various E2 and SN 2 pathways, their mutual competition, and the α-effect of the model reaction system HOO- (H2 O) n + CH3 CH2 Cl, at the CCSD(T) level. Interestingly, we identify the dual nature of the α-nucleophile HOO- which, upon solvation, is in equilibrium with HO- . This solvent-induced dual appearance gives rise to a rich network of competing reaction channels. Among both nucleophiles, SN 2 is always favored over E2, and this preference increases upon increasing microsolvation...
March 27, 2024: Physical Chemistry Chemical Physics: PCCP
https://read.qxmd.com/read/38536713/incl-3-tfoh-mediated-convenient-synthesis-of-3-alkylideneoxindoles-from-2-oxindoles-with-1-3-diones-ketones-or-aldehydes
#9
JOURNAL ARTICLE
Xia Chen, Xiao-Yu Zhou, Hai-Long Liu, Chao Ding, Jin-Hui Li
Two efficient and convenient methods for the synthesis of 3-alkylideneoxindoles are described in this paper. The InCl3 /TfOH-mediated tandem Knoevenagel condensation-deacylation sequence of various 2-oxindoles with 1,3-diones or acetoacetate furnished 3-alkylideneoxindoles in satisfactory to excellent yields (up to >99% yield). Employing the reaction system, the condensation of 2-oxindoles with ketones or aldehydes also proceeded smoothly to produce 3-alkylideneoxindoles. This protocol can be amenable to scale up...
March 27, 2024: Journal of Organic Chemistry
https://read.qxmd.com/read/38536687/benchmarking-supervised-and-self-supervised-learning-methods-in-a-large-ultrasound-muti-task-images-dataset
#10
JOURNAL ARTICLE
Peizhong Liu, Jiansong Zhang, Xiuming Wu, Shunlan Liu, Yanli Wang, Longxiang Feng, Yong Diao, Zhonghua Liu, Guorong Lyu, Yongjian Chen
Deep learning in ultrasound(US) imaging aims to construct foundational models that accurately reflect the modality's unique characteristics. Nevertheless, the limited datasets and narrow task types have restricted this field in recent years. To address these challenges, we introduce US-MTD120K, a multi-task ultrasound dataset with 120,354 real-world two-dimensional images. This dataset covers three standard plane recognition and two diagnostic tasks in ultrasound imaging, providing a rich basis for model training and evaluation...
March 27, 2024: IEEE Journal of Biomedical and Health Informatics
https://read.qxmd.com/read/38536681/eisatc-fusion-inception-self-attention-temporal-convolutional-network-fusion-for-motor-imagery-eeg-decoding
#11
JOURNAL ARTICLE
Guangjin Liang, Dianguo Cao, Jinqiang Wang, Zhongcai Zhang, Yuqiang Wu
The motor imagery brain-computer interface (MI-BCI) based on electroencephalography (EEG) is a widely used human-machine interface paradigm. However, due to the non-stationarity and individual differences among subjects in EEG signals, the decoding accuracy is limited, affecting the application of the MI-BCI. In this paper, we propose the EISATC-Fusion model for MI EEG decoding, consisting of inception block, multi-head self-attention (MSA), temporal convolutional network (TCN), and layer fusion. Specifically, we design a DS Inception block to extract multi-scale frequency band information...
March 27, 2024: IEEE Transactions on Neural Systems and Rehabilitation Engineering
https://read.qxmd.com/read/38536647/differences-in-injury-profiles-between-female-and-male-athletes-across-the-participant-classification-framework-a-systematic-review-and-meta-analysis
#12
Natalie J Hardaker, Patria A Hume, Stacy T Sims
BACKGROUND: Female sex is a significant determinant of anterior cruciate ligament (ACL) injury. It is not understood if sex is a key determinant of other sports-related injuries. OBJECTIVE: The aim of this systematic review was to identify where differences in injury profiles are most apparent between the sexes in all sports across the six-tiered participant classification framework. METHODS: This systematic review was conducted in accordance with the Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) statement and the 'implementing PRISMA in Exercise, Rehabilitation, Sport medicine and SporTs science'(PERSiST) guidance...
March 27, 2024: Sports Medicine
https://read.qxmd.com/read/38536610/continuous-detection-of-cobalt-ions-and-pyrophosphates-by-nac-cdte-quantum-dots-fluorescence-probes
#13
JOURNAL ARTICLE
Wanqiu Chen, Ting Chen, Min Fang, Weiju Zhu, Cun Li
In this work, a simple and sensitive N-acetyl-L-cysteine (NAC)-covered CdTe quantum dots (NAC-CdTe QDs) fluorescence probe for continuous detection of Co2+ and pyrophosphate ions (PPi, P2 O7 4- ) was synthesized. The fluorescence of the quantum dots was significantly quenched by Co2+ through the coordination of Co2+ and the carboxyl groups on the NAC-CdTe quantum dots. Interestingly, the combination of NAC-CdTe quantum dots with Co2+ yields a new fluorescence probe of Co2+ -modified NAC-CdTe QDs (Co2+ @NAC-CdTe)...
March 27, 2024: Journal of Fluorescence
https://read.qxmd.com/read/38536538/competing-endogenous-rnas-crosstalk-in-hippocampus-a-potential-mechanism-for-neuronal-developing-defects-in-down-syndrome
#14
JOURNAL ARTICLE
Huiru Zhao, Guiyu Lou, Yupu Shao, Tao Wang, Hongdan Wang, Qiannan Guo, Wenke Yang, Hongyan Liu, Shixiu Liao
Down syndrome (DS) is the most example of aneuploidy, resulting from an additional copy of all or part of chromosome 21. Competing endogenous RNAs (ceRNAs) play important roles in neuronal development and neurological defects. This study aimed to identify hub genes and synergistic crosstalk among ceRNAs in the DS fetal hippocampus as potential targets for the treatment of DS-related neurodegenerative diseases. We profiled differentially expressed long non-coding RNAs (DElncRNAs), differentially expressed circular RNAs (DEcircRNAs), differentially expressed microRNAs (DEmiRNAs), and differentially expressed messenger RNAs (DEmRNAs) in hippocampal samples from patients with or without DS...
March 27, 2024: Journal of Molecular Neuroscience: MN
https://read.qxmd.com/read/38536428/aesthetic-surgery-fellowship-at-akademikliniken-stockholm-survey-among-graduates
#15
JOURNAL ARTICLE
Paolo Montemurro, Yannick F Diehm, Per Hedén, Sebastian Fischer, Johannes M Wagner
BACKGROUND: Aesthetic Surgery is one of the most competitive fields of plastic surgery. Although there is a certain demand for highly educated surgeons in this field, training in cosmetic procedures remains challenging. Akademikliniken Stockholm offers a highly appreciated fellowship program for aesthetic plastic surgeons and trained more than 200 surgeons from all over the world. OBJECTIVES: The aim of the present work was to provide insights into this fellowship program, analyze what graduates have learned and if this had implications on their further professional orientation...
March 27, 2024: Aesthetic Plastic Surgery
https://read.qxmd.com/read/38536176/estimated-sustainable-cost-based-prices-for-diabetes-medicines
#16
JOURNAL ARTICLE
Melissa J Barber, Dzintars Gotham, Helen Bygrave, Christa Cepuch
IMPORTANCE: The burden of diabetes is growing worldwide. The costs associated with diabetes put substantial pressure on patients and health budgets, especially in low- and middle-income countries. The prices of diabetes medicines are a key determinant for access, yet little is known about the association between manufacturing costs and current market prices. OBJECTIVES: To estimate the cost of manufacturing insulins, sodium-glucose cotransporter 2 inhibitors (SGLT2Is), and glucagonlike peptide 1 agonists (GLP1As), derive sustainable cost-based prices (CBPs), and compare these with current market prices...
March 4, 2024: JAMA Network Open
https://read.qxmd.com/read/38535747/seasonal-variation-and-the-effect-of-the-transition-period-on-physical-fitness-parameters-in-youth-female-soccer-players
#17
JOURNAL ARTICLE
Koulla Parpa, Borko Katanic, Marcos Michaelides
This study examined seasonal variation and the effect of the transition period on physical fitness parameters in female youth soccer players. Twenty-four players (13-17 years old) were assessed through field and laboratory testing. They completed laboratory testing three times: (1) at the beginning of the season (post-preseason), (2) at the end of the regular season (postseason), and (3) following the transition period (preseason). Field testing was conducted post-preseason and postseason. Results indicated that weight and body fat significantly increased from post-preseason to postseason and following the transition period...
March 20, 2024: Sports
https://read.qxmd.com/read/38535740/the-risk-of-eating-disorders-in-adolescent-athletes-how-we-might-address-this-phenomenon
#18
JOURNAL ARTICLE
Isabel Cristina Rojas-Padilla, Iago Portela-Pino, María José Martínez-Patiño
Eating disorders are psychiatric and behavioral health pathologies of high complexity and different etiology, which can affect age groups, sexes, and ethnicities indistinctly. This study aimed to evaluate the risk of eating disorders and the possible relation with the sports profile of Colombian adolescent athletes. This was an exploratory cross-sectional quantitative study that used an online form designed with a sociodemographic questionnaire and the EAT-26 scale to determine the eating disorder risk of the object population...
March 8, 2024: Sports
https://read.qxmd.com/read/38535671/enhanced-adsorption-of-methylene-blue-dye-on-functionalized-multi-walled-carbon-nanotubes
#19
JOURNAL ARTICLE
Ludovica Ceroni, Stefania Benazzato, Samuel Pressi, Laura Calvillo, Ester Marotta, Enzo Menna
Carbon nanomaterials are promising adsorbents for dye removal from wastewater also due to their possible surface functionalization that, in principle, can increase the adsorption rate and provide regeneration. To investigate the real advantages of functionalization, we synthesized and characterized through IR, TGA, TEM, XPS and DLS measurements a multi-walled carbon nanotube (MWCNT) derivative bearing benzenesulfonate groups (MWCNT-S). The obtained material demonstrated to have good dispersibility in water and better capability to adsorb methylene blue (MB) compared to the pristine MWCNT adsorbent...
March 14, 2024: Nanomaterials
https://read.qxmd.com/read/38535638/three-dimensional-vanadium-and-nitrogen-dual-doped-ti-3-c-2-film-with-ultra-high-specific-capacitance-and-high-volumetric-energy-density-for-zinc-ion-hybrid-capacitors
#20
JOURNAL ARTICLE
Xinhui Jin, Siliang Yue, Jiangcheng Zhang, Liang Qian, Xiaohui Guo
Zinc-ion hybrid capacitors (ZICs) can achieve high energy and power density, ultralong cycle life, and a wide operating voltage window, and they are widely used in wearable devices, portable electronics devices, and other energy storage fields. The design of advanced ZICs with high specific capacity and energy density remains a challenge. In this work, a novel kind of V, N dual-doped Ti3 C2 film with a three-dimensional (3D) porous structure (3D V-, N-Ti3 C2 ) based on Zn-ion pre-intercalation can be fabricated via a simple synthetic process...
March 8, 2024: Nanomaterials
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