Results 61 to 70 of about 105,165 (285)

Mechanistic Investigation of Electrostatic Field‐Enhanced Water Evaporation

Advanced Science, 2021
Investigations on external electrostatic field (EEF)‐enhanced liquid water evaporation have been reported decades ago, which suggest that molecular alignment and polarization tuned by EEF accelerating the phase change process could be responsible for EEF‐
Jipeng Fei, Bin Ding, See Wee Koh, Junyu Ge, Xingli Wang, Liquan Lee, Zixu Sun, Mengqi Yao, Yonghao Chen, Huajian Gao, Hong Li   +10 more
doaj   +1 more source

Generalized Stern-Gerlach Effect for Chiral Molecules [PDF]

Physical Review Letters, 2007
The Stern-Gerlach effect is well-known as spin-dependent splitting of a beam of atoms with magnetic moments by a magnetic-field gradient. Here, we show that an induced gauge potential may lead to a similar effect for chiral molecules. In the presence of three inhomogeneous light fields, the center-of-mass of a three-level chiral molecule is subject to ...
Li, Yong, Bruder, C., Sun, C. P.
openaire   +4 more sources

Generating Flavor Molecules Using Scientific Machine Learning

ACS Omega, 2023
النكهة هي عنصر أساسي في تطوير العديد من المنتجات في السوق. أدى الاستهلاك المتزايد للوجبات المصنعة والسريعة والأغذية المعبأة الصحية إلى زيادة الاستثمار في عوامل النكهة الجديدة وبالتالي في الجزيئات ذات خصائص النكهة. في هذا السياق، يطرح هذا العمل نهجًا علميًا للتعلم الآلي (SciML) لتلبية هذه الحاجة إلى هندسة المنتج.
Luana P. Queiroz, Carine M. Rebello, Erbet A. Costa, Vinícius V. Santana, Bruno Rodrigues, Alı́rio E. Rodrigues, Ana M. Ribeiro, Idelfonso B. R. Nogueira   +7 more
openaire   +3 more sources

Clinical Characteristics and Prognostic Risk Factors for Pediatric B‐Cell Lymphoblastic Lymphoma: A Multicenter Retrospective Cohort Study for China Net Childhood Lymphoma

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Background B‐cell lymphoblastic lymphoma (B‐LBL) represents a rare variety of non‐Hodgkin lymphoma, with limited research on its biology, progression, and management. Methods A retrospective analysis was performed on the clinical characteristics of 256 patients aged ≤18 years who received treatment under the China Net Childhood Lymphoma (CNCL)‐
Zhijuan Liu, Jian Wang, Ling Jin, Yanlong Duan, Fu Li, Yueping Jia, Leping Zhang, Xiaojun Yuan, Wei Liu, Ying Liu, Ansheng Liu, Mincui Zheng, Yunpeng Dai, Lian Jiang, Lirong Sun, Xiaowen Zhai, Rong Liu, Chunju Zhou, Zifen Gao, Yonghong Zhang, Xiaomei Yang   +20 more
wiley   +1 more source

ExoMol molecular line lists - XVII The rotation-vibration spectrum of hot SO$_3$ [PDF]

, 2016
Sulphur trioxide (SO$_3$) is a trace species in the atmospheres of the Earth and Venus, as well as well as being an industrial product and an environmental pollutant. A variational line list for $^{32}$S$^{16}$O$_{3}$, named UYT2, is presented containing
Al-Refaie, Ahmed F., Clausen, Sønnik, Fateev, Alexander, Tennyson, Jonathan, Underwood, Daniel S., Yurchenko, Sergei N.   +5 more
core   +2 more sources

Learned Feature Generation for Molecules [PDF]

, 2018
When classifying molecules for virtual screening, the molecular structure first needs to be converted into meaningful features, before a classifier can be trained. The most common methods use a static algorithm that has been created based on domain knowledge to perform this generation of features. We propose an approach where this conversion is learned
Winter, Patrick, Borgelt, Christian, Berthold, Michael R.   +2 more
openaire   +2 more sources

Mapping the evolution of mitochondrial complex I through structural variation

FEBS Letters, EarlyView.
Respiratory complex I (CI) is crucial for bioenergetic metabolism in many prokaryotes and eukaryotes. It is composed of a conserved set of core subunits and additional accessory subunits that vary depending on the organism. Here, we categorize CI subunits from available structures to map the evolution of CI across eukaryotes. Respiratory complex I (CI)
Dong‐Woo Shin, Tingting Chen, James A. Letts   +2 more
wiley   +1 more source

Coal as an energy source and its impacts on human health

Energy Geoscience, 2021
Attempts to secure more energy, food, and infrastructure leave a trail of environmental contamination and human health hazards. Coal is a fossil fuel and nonrenewable energy source that is combusted and used to generate electricity.
Juciano Gasparotto, Kátia Da Boit Martinello   +1 more
doaj   +1 more source

Using radio astronomical receivers for molecular spectroscopic characterization in astrochemical laboratory simulations: A proof of concept [PDF]

, 2017
We present a proof of concept on the coupling of radio astronomical receivers and spectrometers with chemical reactorsand the performances of the resulting setup for spectroscopy and chemical simulations in laboratory astrophysics.
Agúndez, M., Alemán, B., Alonso, J. L., Castellanos, M., Cernicharo, J., de Vicente, P., Doménech, J. L., Díaz-Pulido, A., Gallego, J. D., Goicoechea, J. R., Gómez-González, J., Hernández, J. M., Herrero, V. J., Jiménez, E., Joblin, C., Lauwaet, K., López, J. A., López-Pérez, J. A., Makasheva, K., Martín-Gago, J. A., Martínez, L., Moreno, E., Pardo, J. R., Peláez, R. J., Santoro, G., Sobrado, J. M., Tanarro, I., Tercero, F., Teyssier, D.   +28 more
core   +1 more source

Retrieval-based Controllable Molecule Generation

, 2022
Generating new molecules with specified chemical and biological properties via generative models has emerged as a promising direction for drug discovery. However, existing methods require extensive training/fine-tuning with a large dataset, often unavailable in real-world generation tasks.
Wang, Zichao, Nie, Weili, Qiao, Zhuoran, Xiao, Chaowei, Baraniuk, Richard, Anandkumar, Anima   +5 more
openaire   +2 more sources