keyword
https://read.qxmd.com/read/38536964/lessons-from-insulin-policy-prescriptions-for-affordable-diabetes-and-obesity-medications
#1
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/38536909/atom-by-atom-imaging-of-moir%C3%A3-transformations-in-2d-transition-metal-dichalcogenides
#2
JOURNAL ARTICLE
Yichao Zhang, Ji-Hwan Baek, Chia-Hao Lee, Yeonjoon Jung, Seong Chul Hong, Gillian Nolan, Kenji Watanabe, Takashi Taniguchi, Gwan-Hyoung Lee, Pinshane Y Huang
Understanding the atomic-scale mechanisms that govern the structure of interfaces is critical across materials systems but particularly so for two-dimensional (2D) moiré materials. Here, we image, atom-by-atom, the thermally induced structural evolution of twisted bilayer transition metal dichalcogenides using in situ transmission electron microscopy. We observe low-temperature, local conversion of moiré superlattice into nanoscale aligned domains. Unexpectedly, this process occurs by nucleating a new grain within one monolayer, whose crystal orientation is templated by the other...
March 29, 2024: Science Advances
https://read.qxmd.com/read/38536586/prevalence-of-and-factors-associated-with-financial-toxicity-after-pancreatectomy-and-gastrectomy
#3
JOURNAL ARTICLE
Yuki Hirata, Connie To, Heather Lyu, Grace L Smith, Joyce P Samuel, Hop S Tran Cao, Brian D Badgwell, Matthew H G Katz, Naruhiko Ikoma
BACKGROUND: Financial toxicity (FT) refers to the adverse impact of cancer treatment costs on patients' experiences, potentially leading to poor adherence to treatment and outcomes. However, the prevalence of FT among patients undergoing major upper gastrointestinal cancer operations, as well as factors associated with FT, remain unclear. METHODS: We conducted a cross-sectional study by sending the Comprehensive Score for financial Toxicity (COST) survey and Surgery-Q (a survey specifically developed for this study) to patients who underwent gastrectomy or pancreatectomy for malignant disease at our institution in 2019-2021...
March 27, 2024: Annals of Surgical Oncology
https://read.qxmd.com/read/38536444/sec18-binds-the-tethering-sm-complex-hops-to-engage-the-qc-snare-for-membrane-fusion
#4
JOURNAL ARTICLE
Amy Orr, William Wickner
Membrane fusion is regulated by Rab GTPases, their tethering effectors such as HOPS, SNARE proteins on each fusion partner, SM proteins to catalyze SNARE assembly, Sec17 (SNAP), and Sec18 (NSF). Though concentrated HOPS can support fusion without Sec18, we now report that fusion falls off sharply at lower HOPS levels, where direct Sec18 binding to HOPS restores fusion. This Sec18-dependent fusion needs adenine nucleotide but neither ATP hydrolysis nor Sec17. Sec18 enhances HOPS recognition of the Qc-SNARE. With high levels of HOPS, Qc has a Km for fusion of a few nM...
March 27, 2024: Molecular Biology of the Cell
https://read.qxmd.com/read/38534849/design-of-low-cost-modular-bio-inspired-electric-pneumatic-actuator-epa-driven-legged-robots
#5
JOURNAL ARTICLE
Alessandro Brugnera Silva, Marc Murcia, Omid Mohseni, Ryu Takahashi, Arturo Forner-Cordero, Andre Seyfarth, Koh Hosoda, Maziar Ahmad Sharbafi
Exploring the fundamental mechanisms of locomotion extends beyond mere simulation and modeling. It necessitates the utilization of physical test benches to validate hypotheses regarding real-world applications of locomotion. This study introduces cost-effective modular robotic platforms designed specifically for investigating the intricacies of locomotion and control strategies. Expanding upon our prior research in electric-pneumatic actuation (EPA), we present the mechanical and electrical designs of the latest developments in the EPA robot series...
March 7, 2024: Biomimetics
https://read.qxmd.com/read/38534539/brain-age-prediction-using-multi-hop-graph-attention-combined-with-convolutional-neural-network
#6
JOURNAL ARTICLE
Heejoo Lim, Yoonji Joo, Eunji Ha, Yumi Song, Sujung Yoon, Taehoon Shin
Convolutional neural networks (CNNs) have been used widely to predict biological brain age based on brain magnetic resonance (MR) images. However, CNNs focus mainly on spatially local features and their aggregates and barely on the connective information between distant regions. To overcome this issue, we propose a novel multi-hop graph attention (MGA) module that exploits both the local and global connections of image features when combined with CNNs. After insertion between convolutional layers, MGA first converts the convolution-derived feature map into graph-structured data by using patch embedding and embedding-distance-based scoring...
March 8, 2024: Bioengineering
https://read.qxmd.com/read/38533745/-the-design-and-acceptability-of-a-hip-hop-themed-integrated-nutrition-math-curriculum-for-minoritized-5th-grade-students-using-the-multisensory-multilevel-health-education-model
#7
JOURNAL ARTICLE
Ewelina M Swierad, John C Rausch, Vanessa Sawyer, Gabriela Drucker, Olajide Williams
Digital technology creates new opportunities to design multisensory learning experiences. Evidence suggests that digital innovation can greatly benefit health education, including nutrition programs. The COVID-19 pandemic disrupted the education sector, forcing schools to modify standard practices from exclusively in-person delivery to online or blended learning. Digitalized curriculums became particularly useful as an Emergency Remote Teaching tool. This article focuses on developing and implementing a multimedia, multisensory, and scalable Hip-Hop Healthy Eating and Living in Schools (H...
March 27, 2024: Health Promotion Practice
https://read.qxmd.com/read/38530940/discovery-of-novel-pyrazole-acyl-thiourea-skeleton-analogue-as-potential-herbicide-candidates
#8
JOURNAL ARTICLE
Chujian Ma, Luyang Tian, Yan-En Wang, Jingqian Huo, Zexiu An, Susu Sun, Song Kou, Wenfei Wang, Yaze Li, Jinlin Zhang, Lai Chen
To discover novel transketolase (TKL, EC 2.2.1.1) inhibitors with potential herbicidal applications, a series of pyrazole acyl thiourea derivatives were designed based on a previously obtained pyrazolamide acyl lead compound, employing a scaffold hopping strategy. The compounds were synthesized, their structures were characterized, and they were evaluated for herbicidal activities. The results indicate that 7a exhibited exceptional herbicidal activity against Digitaria sanguinalis and Amaranthus retroflexus at a dosage of 90 g ai/ha, using the foliar spray method in a greenhouse...
March 26, 2024: Journal of Agricultural and Food Chemistry
https://read.qxmd.com/read/38530933/simulating-attochemistry-which-dynamics-method-to-use
#9
JOURNAL ARTICLE
Thierry Tran, Anthony Ferté, Morgane Vacher
Attochemistry aims to exploit the properties of coherent electronic wavepackets excited via attosecond pulses to control the formation of photoproducts. Such molecular processes can, in principle, be simulated with various nonadiabatic dynamics methods, yet the impact of the approximations underlying the methods is rarely assessed. The performances of widely used mixed quantum-classical approaches, Tully surface hopping, and classical Ehrenfest methods are evaluated against the high-accuracy DD-vMCG quantum dynamics...
March 26, 2024: Journal of Physical Chemistry Letters
https://read.qxmd.com/read/38530091/hybrid-membrane-of-sulfonated-poly-aryl-ether-ketone-sulfone-modified-by-molybdenum-clusters-with-enhanced-proton-conductivity
#10
JOURNAL ARTICLE
Fang Ji, Fengyu Jiang, Hongwei Luo, Wen-Wen He, Xu Han, Wangwang Shen, Menglong Liu, Tao Zhou, Jingmei Xu, Zhe Wang, Ya-Qian Lan
Developing novel proton exchange membranes (PEMs) with low cost and superior performance to replace Nafion is of great significance. Polyoxometalate-doped sulfonated poly(aryl ether ketone sulfone) (SPAEKS) allows for the amalgamation of the advantages in each constituent, thereby achieving an optimized performance for the hybrid PEMs. Herein, the hybrid membranes by introducing 2MeIm-{Mo132 } into SPAEKS are obtained. Excellent hydrophilic properties of 2MeIm-{Mo132 } can help more water molecules be retained in the hybrid membrane, providing abundant carriers for proton transport and proton hopping sites to build successive hydrophilic channels, thus lowering the energy barrier, accelerating the proton migration, and significantly fostering the proton conductivity of hybrid membranes...
March 26, 2024: Small
https://read.qxmd.com/read/38530009/phonon-mediated-ultrafast-energy-and-momentum-resolved-hole-dynamics-in-monolayer-black-phosphorus
#11
JOURNAL ARTICLE
Siyuan Gao, Yu-Chen Wang, Yi Zhao
The electron-phonon scattering plays a crucial role in determining the electronic, transport, optical, and thermal properties of materials. Here, we employ a non-Markovian stochastic Schrödinger equation (NMSSE) in momentum space, together with ab initio calculations for energy bands and electron-phonon interactions, to reveal the phonon-mediated ultrafast hole relaxation dynamics in the valence bands of monolayer black phosphorus. Our numerical simulations show that the hole can initially remain in the high-energy valence bands for more than 100 fs due to the weak interband scatterings, and its energy relaxation follows single-exponential decay toward the valence band maximum after scattering into low-energy valence bands...
March 28, 2024: Journal of Chemical Physics
https://read.qxmd.com/read/38529338/mobile-molecules-reactivity-profiling-guides-faster-movement-on-a-cysteine-track
#12
JOURNAL ARTICLE
Zonghua Bo, Zhong Hui Lim, Fernanda Duarte, Hagan Bayley, Yujia Qing
We previously reported a molecular hopper, which makes sub-nanometer steps by thiol-disulfide interchange along a track with cysteine footholds within a protein nanopore. Here we optimize the hopping rate (ca. 0.1 s-1 in the previous work) with a view towards rapid enzymeless biopolymer characterization during translocation within nanopores. We first took a single-molecule approach to obtain the reactivity profiles of individual footholds. The p K a values of cysteine thiols within a pore ranged from 9...
May 15, 2023: Angewandte Chemie
https://read.qxmd.com/read/38526800/a-casscf-mrci-trajectory-surface-hopping-simulation-of-the-photochemical-dynamics-and-the-gas-phase-ultrafast-electron-diffraction-patterns-of-cyclobutanone
#13
JOURNAL ARTICLE
Xincheng Miao, Kira Diemer, Roland Mitrić
We present the simulation of the photochemical dynamics of cyclobutanone induced by the excitation of the 3 s Rydberg state. For this purpose, we apply the complete active space self-consistent field method together with the spin-orbit multireference configuration interaction singles treatment, combined with the trajectory surface hopping for the inclusion of nonadiabatic effects. The simulations were performed in the spin-adiabatic representation, including nine electronic states derived from three singlet and two triplet spin-diabatic states...
March 28, 2024: Journal of Chemical Physics
https://read.qxmd.com/read/38526436/surface-hopping-simulations-on-charge-photogeneration-in-conjugated-polymers
#14
JOURNAL ARTICLE
Zhen Sun, Sheng Li, Yan Meng, Zhong An
The mechanism of charge photogeneration in neat conjugated polymers has long been controversial and a unified explanation has not been achieved so far. In this paper, we use a surface hopping method to simulate the excited-state dynamics of a system composed of five π-stacked polymer chains. In this system, polaron pairs (PPs) with large electron-hole distance can be seen as free charges. The surface hopping method is based on the Pariser-Parr-Pople (PPP) Hamiltonian and the excited states of the system are calculated with configuration interaction singles (CIS) formalism...
March 25, 2024: Physical Chemistry Chemical Physics: PCCP
https://read.qxmd.com/read/38526113/a-simple-one-electron-expression-for-electron-rotational-factors
#15
JOURNAL ARTICLE
Tian Qiu, Mansi Bhati, Zhen Tao, Xuezhi Bian, Jonathan Rawlinson, Robert G Littlejohn, Joseph E Subotnik
Within the context of fewest-switch surface hopping (FSSH) dynamics, one often wishes to remove the angular component of the derivative coupling between states J and K. In a previous set of papers, Shu et al. [J. Phys. Chem. Lett. 11, 1135-1140 (2020)] posited one approach for such a removal based on direct projection, while we isolated a second approach by constructing and differentiating a rotationally invariant basis. Unfortunately, neither approach was able to demonstrate a one-electron operatorÔ whose matrix element JÔK was the angular component of the derivative coupling...
March 28, 2024: Journal of Chemical Physics
https://read.qxmd.com/read/38526110/can-classical-mechanics-sense-conical-intersection
#16
JOURNAL ARTICLE
Sourav Karmakar, Saumya Thakur, Amber Jain
Conical intersection (CI) leads to fast electronic energy transfer. However, Hamm and Stock [Phys. Rev. Lett. 109, 173201 (2012)] showed the existence of a vibrational CI and its role in vibrational energy relaxation. In this paper, we further investigate the vibrational energy relaxation using an isolated model Hamiltonian system of four vibrational modes with two distinctively different timescales (two fast modes and two slow modes). We show that the excitation of the slow modes plays a crucial role in the energy relaxation mechanism...
March 28, 2024: Journal of Chemical Physics
https://read.qxmd.com/read/38525057/synthesis-structural-spectroscopic-and-electric-dielectric-studies-of-a-nanocrystalline-ni-ii-complex-based-on-1-3-diphenyl-1-h-pyrazol-4-yl-methylene-thiocarbonohydrazide
#17
JOURNAL ARTICLE
R Fouad, Tarik E Ali, Mohammed A Assiri, S S Shenouda
A Ni2+ nanocomplex based on a heterocyclic ligand containing a pyrazole moiety was developed in this work, and its electric conductivity and dielectric characteristics were studied. The Ni2+ nanocomplex with the general formula [Ni(PyT)2 (H2 O)2 ]Cl2 ·½H2 O, where PyT = [(1,3-diphenyl-1 H -pyrazol-4-yl)methylene]thiocarbonohydrazide, was characterized using various techniques, including elemental and thermal analyses, as well as conductivity, magnetism, TEM, and spectroscopic (FT-IR, UV-Vis and XRD) studies...
March 20, 2024: RSC Advances
https://read.qxmd.com/read/38524916/effect-of-particle-size-and-composition-on-local-magnetic-hyperthermia-of-chitosan-mg1-xcoxfe2o4-nanohybrid
#18
JOURNAL ARTICLE
M Aminul Islam, Ishtiaque M Syed, M Al Mamun, S Manjura Hoque
In this study, Mg1 -x Co x Fe2 O4 (0 ≤ x ≤ 1 with ∆x = 0.1) or MCFO nanoparticles were synthesized using a chemical co-precipitation method and annealed at 200, 400, 600, and 800°C respectively to investigate the structural properties of the materials by X-ray diffractometer (XRD), transmission electron microscopy (TEM), and Fourier-transform infrared spectroscopy (FTIR). Controlled annealing increased particle size for each value of x. The aim was to investigate how specific loss power (SLP) and maximum temperature (T max ) during local magnetic hyperthermia were affected by structural alterations associated with particle size and composition...
2024: Frontiers in Chemistry
https://read.qxmd.com/read/38520321/profiling-bilateral-skills-in-high-performance-male-and-female-gaelic-footballers
#19
JOURNAL ARTICLE
Karol Dillon, Ian Sherwin, Philip E Kearney
Bilateral skill symmetry in sport refers to an individual's ability to successfully perform sporting actions with both sides of the body. Two scarcely researched areas in relation to bilateral skills are the effects of opposition proximity on skill execution and bilateral skill in high-performance female athletes. In this study, we used Nacsport to code all skill executions (hand pass, kick pass, hop, solo and shot) during 121 games by both male and female participants (76 male, 45 female), classified as Tier 1 ( n = 181, 134) and Tier 2 ( n = 238, 115) high performance, adult Gaelic Football players...
March 23, 2024: Perceptual and Motor Skills
https://read.qxmd.com/read/38519423/zigzag-hopping-site-embedded-covalent-organic-frameworks-coating-for-zn-anode
#20
JOURNAL ARTICLE
Can Guo, Xin Huang, Jianlin Huang, Xi Tian, Yuting Chen, Wenhai Feng, Jie Zhou, Qi Li, Yifa Chen, Shun-Li Li, Ya-Qian Lan
Precise design and tuning of Zn hopping/transfer sites with deeper understanding of the dendrite-formation mechanism is vital in artificial anode protective coating for aqueous Zn-ion batteries (AZIBs). Here, we probe into the role of anode-coating interfaces by designing a series of anhydride-based covalent organic frameworks (i.e., PI-DP-COF and PI-DT-COF) with specifically designed zigzag hopping sites and zincophilic anhydride groups that can serve as desired platforms to investigate the related Zn2+ hopping/transfer behaviours as well as the interfacial interaction...
March 22, 2024: Angewandte Chemie
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