Results 41 to 50 of about 21,509 (233)

Benchmarking the MBE, FMO, and CPF GPU-Accelerated Fragmentation Methods for Accuracy and Parallel Time-to-Solution

, 2023
We present an accuracy analysis of several fragmenta- tion methods including the embedding-free Many Body Expansion (MBE), the electrostatically-embedded MBE (EE-MBE), the Fragment Molecular Orbital (FMO) and the presently introduced Coulomb Per- turbed ...
Andrew, Gilbert, Fazeleh, Kazemian, Ekaterina, Izgorodina, Giuseppe Maria Junior, Barca, Jorge, Galvez Vallejo, Zoe, Seeger   +5 more
core   +1 more source

Functional characterization of Ysh1p, the yeast endonuclease involved in 3" end processing and in transcription termination of RNA polymerase II transcripts [PDF]

, 2008
Eukaryotic RNA polymerase II (RNAP II) is involved in the synthesis of two major classes of transcripts: messenger RNAs (mRNAs) and small nuclear and small nucleolar RNAs.
Garas, Monika
core   +1 more source

Global and Detailed Calculation of Tube Wall Temperature in a Process Furnace Steam Superheater

Chemie Ingenieur Technik, EarlyView.
This study presents a comparison between an iterative global model and multiple approaches to a new non‐iterative model with the purpose of predicting tube wall temperature of a superheater. The results show that the non‐iterative method achieves sufficient accuracy while improving the prediction of local temperature distribution and better ...
Anežka Michálková, Zdeněk Jegla
wiley   +1 more source

Integrated network toxicology and molecular docking are used to elucidate the mechanism by which chlorpyrifos induces hepatotoxicity (Cyprinus carpio)

Environment International
Chlorpyrifos (CPF), a typical organophosphorus pesticide, is frequently applied for pest control in households and agriculture worldwide. Liver, being the primary site for xenobiotic metabolism, is extremely vulnerable to drug threats.
Xiaojing Li, Huanqi Zhang, Peizhong Yu, Xiaozhe Chen, Yuhong Yang, Shiwen Xu   +5 more
doaj   +1 more source

Governance for Pension Plans' Sustainable Transition: The Moderating Role of Corporate Social Identity

Corporate Social Responsibility and Environmental Management, EarlyView.
ABSTRACT Pension plans may either limit their sustainability approach to commercial purposes or adopt governance practices aligned with sustainability principles, thereby strengthening their Corporate Social Identity (CSI). This paper explores the moderating role of CSI in the relationship between traditional corporate governance mechanisms and pension
Elisa Bocchialini, Paola Ferretti, Federica Ielasi   +2 more
wiley   +1 more source

New‐Generation Integrated Devices: Multiple‐Energy Utilization and Integration Systems Based on Perovskite Photovoltaics

EcoEnergy, EarlyView.
This review highlights emerging integrated energy systems based on perovskite photovoltaics, including PSC–thermoelectric, photovoltaic–electrochemical, self‐charging, and building‐integrated architectures. By coupling multiple energy conversion and storage pathways, these multifunctional platforms enable enhanced solar utilization, improved stability,
Yihuai Huang, Wenguang Zhang, Yuchen Xiong, Zijun Yi, Changkai Huang, Qinghui Jiang, Abdul Basit, Guibin Shen, Yubo Luo, Xin Li, Junyou Yang   +10 more
wiley   +1 more source

Enhanced lycopene fortification in eggs using poultry feed containing a carotenoid-oil preparation derived from metabolically engineered baker’s yeast

Scientific Reports
Carotenoids such as lycopene are important additives for food and animal feed due to their health-promoting effects as well as their industrial utility as color agents. However, the low bioavailability of lycopene from common sources limits its effective
Chanseyha Chhay, Marisa Lohitnawin, Manoosak Wongphatcharachai, Pichaya Jariyahatthakij, Amornrat N. Jensen, Pairat Srichana, Laran T. Jensen   +6 more
doaj   +1 more source

A comprehensive study on the adsorption of ciprofloxacin using chitosan: Spectroscopic, DFT, kinetic, isotherm, thermodynamic, and reusability insights

Desalination and Water Treatment
Pharmaceutical contamination in water resources poses considerable threats to health and the ecosystem. This study investigated ciprofloxacin (CPF) adsorption onto chitosan, analyzing the impacts of interaction time, pH, adsorbent dosage, CPF ...
Md. Masiur Rahaman, Sudipta Saha, Chironjit Kumar Shaha, Md. Ashraful Alam, Umme Sarmeen Akhtar, Subarna Karmaker, Tapan Kumar Saha, Professor   +6 more
doaj   +1 more source

Comparing Transcriptomic Responses to Chemicals Across Six Species Using the EcoToxChip RNASeq Database

Environmental Toxicology and Chemistry, EarlyView.
Abstract The EcoToxChip project includes RNA‐sequencing data from experiments involving model (Japanese quail, fathead minnow, African clawed frog) and ecological (double‐crested cormorant, rainbow trout, northern leopard frog) species at multiple life stages (whole embryo and adult) exposed to eight chemicals of environmental concern known to perturb ...
Krittika Mittal, Jessica Ewald, Doug Crump, Jessica Head, Markus Hecker, Natacha Hogan, Jianguo Xia, Niladri Basu   +7 more
wiley   +1 more source

Arts on prescription intervention for primary healthcare patients with poor mental health or social isolation: a mixed-method study

BMC Primary Care
Background Primary healthcare providers are increasingly challenged in supporting patients with psychosocial needs. Arts on Prescription (AoP) has been shown to improve primary healthcare patients’ mental health wellbeing. The aim of the current study is
Anita Jensen, Anders Halling, Mirnabi Pirouzifard, Martin Lindström   +3 more
doaj   +1 more source