Results 91 to 100 of about 3,070,839 (358)

Rxn Hypergraph: a Hypergraph Attention Model for Chemical Reaction Representation [PDF]

arXiv, 2022
It is fundamental for science and technology to be able to predict chemical reactions and their properties. To achieve such skills, it is important to develop good representations of chemical reactions, or good deep learning architectures that can learn such representations automatically from the data. There is currently no universal and widely adopted
arxiv  

miRNA‐29 regulates epidermal and mesenchymal functions in skin repair

FEBS Letters, EarlyView.
miRNA‐29 inhibits cell‐to‐cell and cell‐to‐matrix adhesion by silencing mRNA targets. Adhesion is controlled by complex interactions between many types of molecules coded by mRNAs. This is crucial for keeping together the layers of the skin and for regenerating the skin after wounding.
Lalitha Thiagarajan, Rosa Sanchez‐Alvarez, Chiho Kambara, Poojitha Rajasekar, Yuluang Wang, François Halloy, Jonathan Hall, Hans‐Jürgen Stark, Iris Martin, Petra Boukamp, Svitlana Kurinna   +10 more
wiley   +1 more source

Suitability of large language models for extraction of high-quality chemical reaction dataset from patent literature

Journal of Cheminformatics
With the advent of artificial intelligence (AI), it is now possible to design diverse and novel molecules from previously unexplored chemical space. However, a challenge for chemists is the synthesis of such molecules.
Sarveswara Rao Vangala, Sowmya Ramaswamy Krishnan, Navneet Bung, Dhandapani Nandagopal, Gomathi Ramasamy, Satyam Kumar, Sridharan Sankaran, Rajgopal Srinivasan, Arijit Roy   +8 more
doaj   +1 more source

A stochastic model of a chemical reaction with diffusion

Probability Theory and Related Fields, 1988
Stochastic systems of Brownian motions with multiple deletion of particles are introduced to model a chemical reaction with diffusion. Convergence to the solution of a deterministic nonlinear reaction-diffusion equation is proved without high-density assumptions.
openaire   +3 more sources

Spot‐14 and its paralog Spot‐14R regulate expression of metabolic and thermogenic pathway genes in murine brown and beige adipocytes

FEBS Letters, EarlyView.
Spot‐14 and Spot‐14R play distinct roles in regulating metabolism in brown and beige adipocytes. While both influence lipid and glucose pathways, Spot‐14 uniquely controls thermogenic gene expression. This dual regulation balances energy storage and heat production, highlighting potential therapeutic targets for obesity and metabolic disorders. Spot 14
Lidia Itzel Castro‐Rodríguez, Cristina Velez‐delValle, Claudia Patricia Hernández‐Mosqueira, Walid Kuri‐Harcuch   +3 more
wiley   +1 more source

Prediction of chemical reaction yields with large-scale multi-view pre-training

Journal of Cheminformatics
Developing machine learning models with high generalization capability for predicting chemical reaction yields is of significant interest and importance.
Runhan Shi, Gufeng Yu, Xiaohong Huo, Yang Yang   +3 more
doaj   +1 more source

The importance of chemical mechanisms in sonochemical modelling

Ultrasonics Sonochemistry, 2022
A state-of-the-art chemical mechanism is introduced to properly describe chemical processes inside a harmonically excited spherical bubble placed in water and saturated with oxygen.
Csanád Kalmár, Tamás Turányi, István Gy. Zsély, Máté Papp, Ferenc Hegedűs   +4 more
doaj  

A cellular system to study responses to a collision between the transcription complex and a protein‐bound nick in the DNA template

FEBS Letters, EarlyView.
We present the cellular transcription‐coupled Flp‐nick system allowing the introduction of a Top1‐mimicking cleavage complex (Flpcc) at a Flp recognition target site within a controllable LacZ gene. LacZ transcription leads to the collision of RNA polymerase II (RNAPII) with Flpcc, and this causes RNAPII stalling, ubiquitination, and degradation.
Petra Herring, Morten Roedgaard, Camilla Myrup Holst, Helene Christensen, Birgitta R. Knudsen, Lotte Bjergbaek, Anni Hangaard Andersen   +6 more
wiley   +1 more source

Reaction-Diffusion Processes from Equivalent Integrable Quantum Chains

, 1997
One-dimensional reaction-diffusion systems are mapped through a similarity transformation onto integrable (and a priori non-stochastic) quantum chains. Time-dependent properties of these chemical models can then be found exactly.
Albertini, Alcaraz, Alcaraz, Alcaraz, Alexander, Balboni, Barkema, Baxter, ben-Avraham, Bethe, Dahmen, Dickman, Dickman, Doi, Droz, Enzo Orlandini, Felderhof, Gaudin, Glauber, Grassberger, Grynberg, Gwa, Henkel, Henkel, Henkel, Hinrichsen, Hinrichsen, Hinrichsen, Hyver, Igloı́, Jaime Santos, Johnson, Kadanoff, Kandel, Kang, Kim, Kopelman, Krebs, Kroon, Kuzovkov, Lieb, Lushnikov, Malte Henkel, Marro, Mattis, McKane, Pasquier, Peliti, Peschel, Prasad, Privman, Privman, Privman, Racz, Rey, Sandow, Santos, Schmittmann, Schütz, Schütz, Schütz, Siggia, Simon, Smoluchowski, Stinchcombe, Takanishi, Tokar, Tousaint, Yang   +68 more
core   +1 more source

Interaction vesicles as emerging mediators of host‐pathogen molecular crosstalk and their implications for infection dynamics

FEBS Letters, EarlyView.
Interaction extracellular vesicles (iEVs) are hybrid vesicles formed through host‐pathogen communication. They facilitate immune evasion, transfer pathogens' molecules, increase host cell uptake, and enhance virulence. This Perspective article illustrates the multifunctional roles of iEVs and highlights their emerging relevance in infection dynamics ...
Bruna Sabatke, Izadora Volpato Rossi, Marcel I. Ramirez   +2 more
wiley   +1 more source