Results 41 to 50 of about 13,270,551 (299)
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
Directly relating the mechanical properties of metallic glasses to their atomic structure remains a challenge. Here, the authors use high resolution microscopy to show many mechanical properties of metallic glasses depend on a single structural parameter,
Fan Zhu +4 more
doaj +1 more source
Structural property relationships in conjugated polymers
The synthesis of a series of PPV derivative polymers by the Wittig-Homer reaction is described. The structure of each polymer is varied and the effects of these variations on the optical properties is explored. The effects of alkyloxy side chains is observed between the PPV derivatives Poly(-p-phenylvinylene-co-2,5-bis-octyloxy phenylvinylene.) PPV-OPV
Lynch, Patrick +4 more
openaire +4 more sources
Identifying Structure-Property Relationships through SMILES Syntax Analysis With Self-Attention Mechanism [PDF]
Recognizing substructures and their relations embedded in a molecular structure representation is a key process for structure-activity or structure-property relationship (SAR/SPR) studies.
Jun, Xu +3 more
core +1 more source
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
Redox properties of alkyl-substituted 4-aryl-2,4-dioxobutanoic acids [PDF]
Redox properties of a set of aryldiketo acids (ADKs), small organic molecules that comprise 2,4-dioxobutanoic acid moiety, were studied. Along with well-known HIV-1 integrase (IN) inhibition, ADKs exert widespread biological activities.
Cvijetić Ilija N. +6 more
doaj +1 more source
Structure—Property Relationships of Aromatic Polyesters
芳香族ポリエステル poly(ethylene terephthalate) (PET), poly(ethylene-2,6-naphthalate) (PEN), poly(trimethylene terephthalate) (PTT)のコンホメーション解析を,モデル化合物,ethylene glycol dibenzoate (EGDB)と trimethylene glycol dibenzoate (TMGDB)の分子軌道法(MO)計算とポリマーの高精度回転異性状態(RIS)法の計算を組合せて行った.両モデル化合物の MO 計算は,1H, 13C NMR 実験で求めた O-CH2 と CH2-CH2 結合の配座分率と電気複屈折測定で得られた分子 Kerr ...
SASANUMA, Yuji, SUZUKI, Nobuaki
openaire +2 more sources
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
Ownership structure and corporate performance: empirical evidence of China’s listed property companies [PDF]
This paper investigates the relationship of ownership structure and corporate performance of China’s listed property companies. Data from all the listed property companies on China’s stock market from 2000 to 2002 were used to study ownership ...
Isaac, David +5 more
core +1 more source
Reconstructing enzyme evolution by protein engineering
Natural enzyme evolution can be retraced by protein engineering methods such as directed evolution, rational design, and ancestral sequence reconstruction. These approaches reveal how enzymes emerged from ligand‐binding scaffolds, developed varying substrate preferences, formed oligomeric complexes, adapted to environmental changes, and evolved novel ...
Lukas Drexler +2 more
wiley +1 more source

