Results 111 to 120 of about 11,784,011 (316)
Theoretical studies of molecular structure and vibrational spectra of glutaconic acid
The molecular geometry and vibrational frequencies of glutaonic acid (C5O4H6) in the ground state has been calculated using the Hartree-Fock (HF) and density functional method (B3LYP) with 6-31G(d) basis set. The optimized geometric bond lengths and bond
Atalay, Yusuf +2 more
core +1 more source
Structural insights and therapeutic targets in Acinetobacter baumannii capsule biosynthesis
Hypervirulent KL49 A. baumannii's capsular polysaccharide contains the nonulosonic acid 8‐epi‐Leg5,7Ac2, synthesized by epimerization via ElaA, ElaB, and ElaC. Crystal structures of ElaA, ElaB, and ElaC reveal their role in CMP‐Leg5,7Ac2 synthesis and regioselective C8 epimerization.
Woo Cheol Lee +7 more
wiley +1 more source
Report containing articles, manuscripts, and tabulations of recorded spectra created by the Spectroscopic Laboratory of the University of ...
University of Chicago. Laboratory of Molecular Structure and Spectra.
core
Inositol pyrophosphates are energy‐rich signaling molecules that perform critical functions in cells. Three different families of phosphatases hydrolyze the β phosphate of the inositol pyrophosphate molecules: two have narrow specificities and one is promiscuous.
Ronda J. Rolfes
wiley +1 more source
Report containing articles, manuscripts, and tabulations of recorded spectra created by the Spectroscopic Laboratory of the University of ...
University of Chicago. Laboratory of Molecular Structure and Spectra.
core
Modelling stem cell differentiation related processes—A practical overview for biologists
Stem cell differentiation is complex and difficult to control experimentally. This review introduces suitable computational modelling approaches that can support stem cell research, from mechanistic ODE and abstract models to multiscale and deep learning methods.
Ricco Zeegelaar +4 more
wiley +1 more source
In mammals, brown adipose tissue (BAT) and beige adipocytes in white adipose tissue (WAT) play pivotal roles in maintaining body temperature and energy metabolism.
Yong Geun Jeon, Sun Won Kim, Jae Bum Kim
doaj +1 more source
Report containing articles, manuscripts, and tabulations of recorded spectra created by the Spectroscopic Laboratory of the University of ...
University of Chicago. Laboratory of Molecular Structure and Spectra.
core
Design and analysis strategies for robust microbiome ageing research
The gut microbiome changes with age and associates with age‐related morbidity and mortality, establishing it as a potential biomarker and intervention target for ageing. Realising this potential requires methodological rigour, yet distinguishing biological signals from methodological artefacts remains challenging across cohorts. This review provides an
Mark Olenik +5 more
wiley +1 more source
NONEXPERIMENTAL SCREENING OF THE WATER SOLUBILITY, LIPOPHILICITY, BIOAVAILABILITY, MUTAGENICITY AND TOXICITY OF VARIOUS PESTICIDES WITH QSAR MODELS AID [PDF]
In our study the dataset containing 489 pesticides and their active substances of different classes of organic compounds was used for analysis. For compounds of analyzed dataset the values of lipophilicity, water solubility, toxicity, bioavailability and
O.G. Kolumbin +7 more
doaj

