Results 111 to 120 of about 114,349,436 (308)

In-Silico-Generated Library for Sensitive Detection of 2‑Dimethylaminoethylamine Derivatized FAHFA Lipids Using High-Resolution Tandem Mass Spectrometry

, 2020
Fatty acid esters of hydroxy fatty acids (FAHFAs) are a family of recently discovered lipids with important physiological functions in mammals and plants.
Yu-Qi Feng, Oliver Fiehn, Yu-Qi Feng (438357), Quan-Fei Zhu, Jun Ding (80820), Tobias Kind (17097), Tobias Kind, Yu Wang (12152), Jun Ding, Oliver Fiehn (17098), Quan-Fei Zhu (4852795), Jing-Wen Yan (5619917), Jing-Wen Yan, Yu Wang   +13 more
core   +1 more source

3D kernel-density stochastic model for more personalized glycaemic control: development and in-silico validation [PDF]

, 2019
peer reviewedBackground: The challenges of glycaemic control in critically ill patients have been debated for 20 years. While glycaemic control shows benefits, inter- and intra-patient metabolic variability results in increased hypoglycaemia and ...
Uyttendaele, Vincent, Chase, J. Geoffrey, Knopp, Jennifer L., Davidson, Shaun, Desaive, Thomas, Benyo, Balazs, Shaw, Geoffrey M.   +6 more
core   +1 more source

PROPERMAB: an integrative framework for in silico prediction of antibody developability using machine learning

mAbs
Selection of lead therapeutic molecules is often driven predominantly by pharmacological efficacy and safety. Candidate developability, such as biophysical properties that affect the formulation of the molecule into a product, is usually evaluated only ...
Bian Li, Shukun Luo, Wenhua Wang, Jiahui Xu, Dingjiang Liu, Mohammed Shameem, John Mattila, Matthew C. Franklin, Peter G. Hawkins, Gurinder S. Atwal   +9 more
doaj   +1 more source

Comprehensive In Vitro Profiling Demonstrates Successful Immune Evasion of Bioengineered Immune‐Shielded Heart Valves

Advanced Healthcare Materials, EarlyView.
Living donor heart valves offer superior durability for pediatric patients but trigger immune rejection. Lentiviral delivery of viral immune‐evasion genes US2 and Serpin b9 into donor valve cells and valve tissue suppresses HLA expression, reduces PBMC clustering and cytotoxic killing, and induces transcriptional immune‐tolerance programs, paving the ...
Abraham van Wijk, Leanne Van den Berg, Isa B. M. Velraeds, Valentina Osorio Zuluaga, Emma T. M. Peereboom, Martijn J. W. E. Rabelink, Arnaud Zaldumbide, Rob C. Hoeben, Marie‐Jose T. H. Goumans, Eric Spierings, Carlijn V. C. Bouten, Marijn C. Peters   +11 more
wiley   +1 more source

In silico variant prediction in MGPT data.

, 2018
In silico variant prediction in MGPT data.
Yuan Tian (225002), Brice A. J. Sarver (308661), Hsiao-Mei Lu (258794), Jacob W. Clifford (5746244), Dajun Qian (73705), Tina Pesaran (5746247), Aaron M. Elliott (564829), Shuwei Li (1345710), Chia-Ling Gau (5746250), Mary Helen Black (4515880)   +9 more
core   +1 more source

Differential effects on neurodevelopment of FTO variants in obesity and bipolar disorder suggested by in silico prediction of functional impact: An analysis in Mexican population

Brain and Behavior, 2019
Introduction Several studies indicate that polygenic obesity is linked to fat‐mass and obesity‐associated (FTO) genetic variants. Nevertheless, the link between variants in FTO and mental disorders has been barely explored.
Erasmo Saucedo‐Uribe, Alma Delia Genis‐Mendoza, Adriana Díaz‐Anzaldúa, José Jaime Martínez‐Magaña, Carlos Alfonso Tovilla‐Zarate, Isela Juárez‐Rojop, Nuria Lanzagorta, Michael Escamilla, Thelma Beatriz González‐Castro, María Lilia López Narvaez, Yazmín Hernández‐Díaz, Humberto Nicolini   +11 more
doaj   +1 more source

Beyond Presumptions: Toward Mechanistic Clarity in Metal‐Free Carbon Catalysts for Electrochemical H2O2 Production via Data Science

Advanced Materials, EarlyView.
Metal‐free carbon catalysts enable the sustainable synthesis of hydrogen peroxide via two‐electron oxygen reduction; however, active site complexity continues to hinder reliable interpretation. This review critiques correlation‐based approaches and highlights the importance of orthogonal experimental designs, standardized catalyst passports ...
Dayu Zhu, Hsi‐wen Wu, Xiao Wang, Jie Zhang   +3 more
wiley   +1 more source

NUBIScan, an in silico approach for prediction of nuclear receptor response elements [PDF]

, 2002
Nuclear receptors (NRs) are transcription factors activated by a multitude of hormones, other endogenous substances, and exogenous molecules. These proteins modulate the regulation of target genes by contacting their promoter or enhancer sequences at ...
Kaufmann, M. R., Handschin, C., Meyer, U. A., Podvinec, M.   +3 more
core  

In Vivo Monitoring of Thrombo‐Inflammatory Biomarkers via Molecularly Imprinted Polymer‐Integrated Hydrogel Microneedles

Advanced Materials, EarlyView.
A wearable electrochemical microneedle patch integrates Prussian Blue redox transduction with molecularly imprinted polymer recognition for reagent‐free sampling and detection of thrombo‐inflammatory biomarkers in dermal interstitial fluid. The platform tracks thrombin and inflammatory cytokines with sensitive in vitro, ex vivo, and in vivo performance,
Mahmoud Ayman Saleh, Peyman GhavamiNejad, Arash Khorrami Jahromi, Sanjana Srikant, Sripadh Guptha Yedire, Fatemeh Keyvani, Roozbeh Siavash Moakhar, Sajad Shiekh, Mackenzie Graham, Joe Quadrilatero, Mahla Poudineh, Sara Mahshid   +11 more
wiley   +1 more source

Organic Materials of Tomorrow: Horizons of Artificial Intelligence

Advanced Materials, EarlyView.
This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena, J. Terence Blaskovits, Kun‐Han Lin, Denis Andrienko   +3 more
wiley   +1 more source