Results 61 to 70 of about 83,323 (258)

Systematically Engineering for Efficient Production of 3‐Methyl‐1‐Butanol in Escherichia coli

Advanced Science, EarlyView.
An integrated metabolic engineering strategy was established for high‐level 3‐methyl‐1‐butanol biosynthesis in Escherichia coli. Molecular dynamics‐guided semi‐rational engineering of dihydroxyacid dehydratase uncovered and relieved key catalytic bottlenecks, while adaptive laboratory evolution enhanced strain robustness.
Nanfei Geng, Hao Liu, Haolin Han, Meng Meng, Shaojie Wang, Tianwei Tan, Haijia Su   +6 more
wiley   +1 more source

Maximum Margin Clustering for State Decomposition of Metastable Systems

, 2014
When studying a metastable dynamical system, a prime concern is how to decompose the phase space into a set of metastable states. Unfortunately, the metastable state decomposition based on simulation or experimental data is still a challenge.
Allwein, Becker, Berglund, Biancalani, Bowman, Boyd, Chema, Chodera, Chodera, Chodera, Crammer, Daura, Deuflhard, Deuflhard, Elmer, Genova, Glättli, Groningen, Hao Wu, Hastie, Horn, Jain, Keller, Kellogg, Kloeden, Kwak, McGibbon, Mehrmann, Noé, Noé, Noé, Noé, Noé, Nüske, Prinz, Pryor, Pérez-Hernández, Rahimi, Sarich, Schwantes, Shalev-Shwartz, Shao, Sorin, Swope, Vapnik, Wu, Xu, Yao, Zhang   +48 more
core   +1 more source

Oil‐Coated Nanoplastics Induce Rapid Membrane Disruption and Severe Intestinal Injury

Advanced Science, EarlyView.
ABSTRACT Plastic food containers used in food delivery may pose underrecognized health risks by releasing micro‐ and nanoplastics (MNPs), especially when in contact with oil‐rich foods. Here, we show that cooking oil dramatically increased MNP release from polypropylene (PP) and polyethylene (PE)‐coated containers within 3 min of microwave heating ...
Ruwen Xie, Gulimire Yilihan, Qiong Chen, Dachuan Lin, Zhen Liu, Mengyi Yuan, Yujia Wang, Haoteng Xu, Weishang Zhou, Wanxin Gong, Yueer Li, Chen Peng, Tong Yang, Peng Gao, Qing Liu, Xin‐Hua Feng, Mu Xiao, Chao Jiang   +17 more
wiley   +1 more source

REinforcement learning based Adaptive samPling: REAPing Rewards by Exploring Protein Conformational Landscapes

, 2018
One of the key limitations of Molecular Dynamics simulations is the computational intractability of sampling protein conformational landscapes associated with either large system size or long timescales.
Cheng, Kevin J., Shamsi, Zahra, Shukla, Diwakar   +2 more
core   +2 more sources

Does drying affect gel networks? [PDF]

, 2018
The properties of low molecular weight gels are determined by the underlying, self-assembled network. To access information on the network, it is common for techniques to be used that require the gel to be dried, such as transmission electron microscopy ...
Adams, Dave J.
core   +2 more sources

Leveraging Artificial Intelligence and Large Language Models for Cancer Immunotherapy

Advanced Science, EarlyView.
Cancer immunotherapy faces challenges in predicting treatment responses and understanding resistance mechanisms. Artificial intelligence (AI) and machine learning (ML) offer powerful solutions for cancer immunotherapy in patient stratification, biomarker discovery, treatment strategy optimization, and foundation model development.
Xinchao Wu, Mengtao Sun, Lusheng Li, Jieqiong Wang, Shibiao Wan   +4 more
wiley   +1 more source

Contour forward flux sampling: Sampling rare events along multiple collective variables

, 2019
Many rare event transitions involve multiple collective variables (CVs) and the most appropriate combination of CVs is generally unknown a priori. We thus introduce a new method, contour forward flux sampling (cFFS), to study rare events with multiple ...
DeFever, Ryan S., Sarupria, Sapna
core   +1 more source

Bioactive potential and storage behavior of low molecular mass peptides in Pilsner and IPA style craft beers

Frontiers in Food Science and Technology
Beer, one of the most widely consumed alcoholic beverages globally, is typically produced from barley and hops, and contains carbohydrates, proteins, vitamins, minerals, ethanol, and bioactive phytochemicals such as phenolic compounds.
Roberta Nogueira Pereira da Silva, Angelica Priscila Parussolo Tonin, Gabriela Soares Macello Ramos, Juliana Furtado Dias, Eduardo Cesar Meurer, Maria Gabriela Bello Koblitz   +5 more
doaj   +1 more source

Solid-State NMR Characterization of the Structure of Self-Assembled Ile–Phe–OH

Magnetochemistry, 2018
Solid-state nuclear magnetic resonance (NMR) spectroscopy provides significant structural information regarding the conformation and dynamics of a variety of solid samples.
Izuru Kawamura, Hiroki Shirakata, Yumi Ozawa, Batsaikhan Mijiddorj, Kazuyoshi Ueda   +4 more
doaj   +1 more source

Preparation, carbonic anhydrase enzyme inhibition and antioxidant activity of novel 7-amino-3,4-dihydroquinolin-2(1H)-one derivatives incorporating mono or dipeptide moiety

Journal of Enzyme Inhibition and Medicinal Chemistry, 2020
New dipeptide–dihydroquinolinone derivatives were successfully synthesised by benzotriazole mediated nucleophilic acyl substitution reaction and their structures were elucidated by spectroscopic and analytic techniques. The carbonic anhydrase (CA, EC 4.2.
Hasan Küçükbay, Zeynep Gönül, F. Zehra Küçükbay, Andrea Angeli, Gianluca Bartolucci, Claudiu T. Supuran   +5 more
doaj   +1 more source