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Articles by Shuo Lu
Computer Science > Artificial Intelligence
LLM-based agents are increasingly advancing scientific and engineering problem solving, with physics simulation emerging as a challenging yet practical testbed for reproducing complex physical phenomena with application in embodied AI, games and films. As the workhorse of such simulation, a solver computes how the state of a dynamic system evolves over time.
Analysis and Optimization of CAES Systems Coupled with a Double Reheat Power Plant
Practical Applications This work proposes a retrofit-oriented scheme for coupling a compressed air energy storage (CAES) system with a 1,000 MW double reheat power plant to enhance flexibility under high renewable penetration. The steam extraction–condensate return layout uses existing feedwater and condensate circuits to absorb compression heat and reheat turbine inlet air, avoiding dedicated hot/cold storage tanks and limiting plant modifications.
Speech Database of Consonant-based Articulation Assessment Battery plus Sustained Vowels for Oral and Oropharyngeal Cancers
Abstract We present MSDOC (Multimodal Speech Database for Oral and Oropharyngeal Cancers), a comprehensive longitudinal speech database comprising pre- and post-operative audio recordings from 209 patients diagnosed with oral cavity (OC) and oropharyngeal (OPC) cancers.
Accelerated Biological Aging, Genetic Predisposition, and Incident Valvular Heart Disease:
Valvular heart disease (VHD) is a global issue with significant regional differences, and it remains a major source of mortality and disability worldwide,1 exerting substantial emotional and economic impacts on families and society.
A neurobiological taxonomy of sedentary behavior for brain health
Keywords movement behavior physical activity exercise fitness cognition learning Get full text access Log in, subscribe or purchase for full access. References 1. Tremblay, M.S. ... Sedentary behavior research network (SBRN) – terminology consensus project process and outcome Int. J. Behav. Nutr. Phys. Act. 2017; 14:75 2. Yang, L. ... Trends in sedentary behavior among the US population, 2001-2016 JAMA. 2019; 321:1587-1597 3. Zou, L. ... Sedentary behavior and lifespan brain health Trends Cogn. Sci.
"DNA-Encoded Chemical Libraries Yield Non-covalent and Non-peptidic SAR" by Ravikumar Jimmidi, Srinivas Chamakuri et al.
To view the content in your browser, please download Adobe Reader or, alternately, you may Download the file to your hard drive. NOTE: The latest versions of Adobe Reader do not support viewing PDF files within Firefox on Mac OS and if you are using a modern (Intel) Mac, there is no official plugin for viewing PDF files within the browser window.
"DNA-Encoded Chemistry Technology Yields Expedient Access to SARS-CoV-2" by Srinivas Chamakuri, Shuo Lu et al.
Proceedings of the National Academy of Sciences of the United States of America 10.1073/pnas.2111172118 Post-print yes Animals, COVID-19, Cells, Cultured, Coronavirus 3C Proteases, Dose-Response Relationship, Drug, Drug Discovery, Enzyme Activation, Genetic Engineering, Humans, Models, Molecular, Molecular Conformation, Molecular Structure, Protease Inhibitors, SARS-CoV-2, Structure-Activity Relationship, Virus Replication, COVID-19 Drug Treatment, antiviral, drug discovery, covalent inhibitors
"Ca2+ Efflux Facilitated by Co-transport of Inorganic Phosphate Anion i" by Wei Niu, Wenchang Zhou et al.
Home > UTHealth > McGovern Medical School > Journal Articles > 893 Communications in Biology Calcium, Molecular modelling, Transporters, Permeation and transport, Ion transport DOWNLOADS Included in Critical Care Commons, Medical Biochemistry Commons, Medical Molecular Biology Commons COinS
Design of Refined Quaternary Electrolyte LiF−LiCl−LiBr−LiI Used for the Liquid Metal Battery
Conflict of interest The authors declare no conflict of interest. References 1, , , , , , , J. Power Sources 2018, 401, 362–374. 2, , , , , , , Chem. Rev. 2011, 111, 3577–3613. 3, , , , , J. Power Sources 2018, 389, 198–213. 4, , , , , , ACS Appl. Energ. Mater. 2020, 3, 5361–5374. 5 Light Metals 2017. The Minerals, Metals & Materials Series (Eds.: V. Bojarevics, A. Tucs), Springer, Cham. 2017, pp. 687–692. 6, , , , J. Power Sources 2013, 241, 239–248. 7, , , Electrochim. Acta. 2018, 290, 228–235. 8, , , , , , , , , J.
Cerebral blood flow measured by diffuse correlation spectroscopy in children with autism spectrum disorder
Diffuse correlation spectroscopy (DCS) was used to measure resting-state cerebral blood flow (CBF) in temporal lobes of children with autism spectrum disorder (ASD) and typically developing (TD) children. 22 children with ASD and 34 age-matched TD children were recruited to participate in the experiment. DCS signals were recorded with 3 long source-detector (SD) channels (SD distance = 22.0 mm) and 1 short SD channel (SD distance = 10.5 mm) from each side of the temporal lobe.
Mutagenesis and structural analysis reveal the CTX-M β-lactamase active site is optimized for cephalosporin catalysis and drug resistance
Introduction Widespread antibiotic resistance gives rise to increasingly difficult-to-treat bacterial infections and is a significant threat to public health ( 1 Antimicrobial Resistance Collaborators Global burden of bacterial antimicrobial resistance in 2019: a systematic analysis. ). β-lactams, including penicillins, cephalosporins, and carbapenems, are among the most commonly used antibiotics worldwide ( 2 The β-lactamase threat in Enterobacteriaceae, Pseudomonas and Acinetobacter. ).
A drug-resistant β-lactamase variant changes the conformation of its active-site proton shuttle to alter substrate specificity and inhibitor potency
Victoria Soeung1‡, Shuo Lu1‡, Liya Hu2, Allison Judge2, Banumathi Sankaran4, B. V.
A Drug-Resistant β-lactamase Variant Changes the Conformation of Its Active Site Proton Shuttle to Alter Substrate Specificity and Inhibitor Potency
Abstract Lys234 is one of the residues present in class A β-lactamases that is under selective pressure due to antibiotic use. Located adjacent to proton shuttle residue Ser130, it is suggested to play a role in proton transfer during catalysis of the antibiotics. The mechanism underpinning how substitutions in this position modulate inhibitor efficiency and substrate specificity leading to drug resistance is unclear.
Metal-free generation of hydroxyl radicals by benzoates-mediated decomposition of peroxides
Metal-free generation of hydroxyl radicals by benzoates-mediated decomposition of peroxides A type of metal-free organic photo-Fenton-like reactions are developed, which are fulfilled by the combination of UV with benzoates and peroxides. The findings here not only provide a novel •OH production pathway, but also shed new light on accurate quantification, better use or prevention of •OH in many scenarios. You have access to this article Please wait while we load your content...
Copper-catalysed photoinduced decarboxylative alkynylation: a combined experimental and computational study
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Intracellular Ca2+ regulation of H+/Ca2+ antiporter YfkE mediated by a Ca2+ mini-sensor
Evidence of magnetism in Earth’s oldest minerals suggests a strong magnetic field around 4 billion years ago. Image credit: Julie Mansy (photographer), Rory D. Cottrell (University of Rochester, Rochester, NY), and John A. Tarduno (University of Rochester, Rochester, NY).
Rational Design of a Narrow-Bandgap Conjugated Polymer Using the Quinoidal Thieno[3,2-b]thiophene-Based Building Block for Organic Field-Effect Transistor Applications
A new quinoidal acceptor building block (namely IQTT) is designed with directed diradical character to control and narrow the bandgap while good chemical stability is maintained with the assistance of quantum mechanics simulations. Then IQTT-based monomer and donor–acceptor (D–A) polymer (PIQTT) are synthesized as well as the isoindigo-based (IID) monomer and D–A polymer (PITT).
The phospholipid-repair system LplT/Aas in Gram-negative bacteria protects the bacterial membrane envelope from host phospholipase A2 attack
Secretory phospholipases A (sPLA s) are potent components of mammalian innate-immunity antibacterial mechanisms. sPLA enzymes attack bacteria by hydrolyzing bacterial membrane phospholipids, causing membrane disorganization and cell lysis. However, most Gram-negative bacteria are naturally resistant to sPLA .
The phospholipid-repair system LplT/Aas in Gram-negative bacteria protects the bacterial membrane envelope from host phospholipase A2 attack
Secretory phospholipases A2 (sPLA2) are potent components of mammalian innate-immunity antibacterial mechanisms. sPLA2 enzymes attack bacteria by hydrolyzing bacterial membrane phospholipids, causing membrane disorganization and cell lysis. However, most Gram-negative bacteria are naturally resistant to sPLA2.
Structural Insight into Substrate Selection and Catalysis of Lipid Phosphate Phosphatase PgpB in the Cell Membrane
PgpB belongs to the lipid phosphate phosphatase protein family and is one of three bacterial integral membrane phosphatases catalyzing dephosphorylation of phosphatidylglycerol phosphate (PGP) to generate phosphatidylglycerol. Although the structure of its apo form became recently available, the mechanisms of PgpB substrate binding and catalysis are still unclear. We found that PgpB was inhibited by phosphatidylethanolamine (PE) in a competitive mode in vitro.
Structural insight into substrate selection and catalysis of lipid phosphate phosphatase PgpB in the cell membrane
PgpB belongs to the lipid phosphate phosphatase protein family and is one of three bacterial integral membrane phosphatases catalyzing dephosphorylation of phosphatidylglycerol-phosphate (PGP) to generate PG. Although the structure of its apo form became recently available, the mechanisms of PgpB substrate binding and catalysis are still unclear. We found that PgpB was inhibited by phosphatidylethanolamine (PE) in a competitive mode in vitro.
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