Results 81 to 90 of about 121,206 (264)
AIChE Journal, EarlyView.Abstract Transformer‐based molecular models pretrained on SMILES strings demonstrate strong performance in property prediction. However, these model often lack explicit integration of molecular surface charge distributions that govern intermolecular interactions such as hydrogen bonding and polarity.
Tae Hyun Kim +2 more
wiley +1 more source
Advanced Intelligent Systems, EarlyView.A lightweight monocular perception framework generates high‐fidelity depth maps and integrates YOLOv8 detection to estimate object‐wise distances from a single RGB image. Evaluated on KITTI and the proposed D‐Far250 dataset, the system demonstrates accurate long‐range perception up to 250 m while maintaining real‐time performance, enabling scalable ...
Faseeh Muhammad +5 more
wiley +1 more source
American Journal of Industrial Medicine, EarlyView.ABSTRACT Introduction The widespread adoption of longer duration opioid prescribing for acute pain management following surgeries has coincided with concerning increases in misuse, dependence, and overdose. We evaluated the impact of voluntary opioid prescribing guidelines and concurrent state pharmacy rules on prescribing trends following surgeries ...
John R. Haight +4 more
wiley +1 more source
Expanding the Utility of Exome Sequencing in Preventive and Population Genetics
American Journal of Medical Genetics Part A, EarlyView.ABSTRACT Carrier screening is a long‐standing genetic testing process offered to at‐risk couples, with or without a family history, who might have pregnancies affected by an autosomal recessive (AR) or X‐linked (XL) disorder. A total of 276 unrelated individuals, initially referred for rare disorder screening by clinicians, were enrolled in this study ...
Charilaos Kostoulas +6 more
wiley +1 more source
Ein chirales, sattelförmiges Nanographen mit zwei Heptagon‐integrierten [4]Helicenen
Angewandte Chemie, EarlyView.Wir präsentieren eine neuartige Synthesestrategie für ein chirales, sattelförmiges Nanographen (cSNG) über eine zweistufige Oxidation eines prochiralen Anthracen‐Vorläufers. Die Scholl‐Oxidation liefert zunächst ein Schlüsselzwischenprodukt mit sp3‐defekten Heptagonen, die anschließende oxidative Dehydrierung ergibt das vollständig konjugierte cSNG ...
Felix Trautner +11 more
wiley +1 more source
Angewandte Chemie, EarlyView.A short‐range Rh‐O‐Co‐O‐Ce interfacial moiety drives low‐temperature N2O decomposition via a cooperative redox cycle. Operando modulated‐excitation XAS with phase‐sensitive detection (ME‐XAS+PSD) tracks rapid, reversible Rh oxidation coupled to Co reduction. Combined kinetics and DFT rationalize the activity trends and identify the Rh‐O‐Co interface as
Daniel C. Cano‐Blanco +7 more
wiley +1 more source
A Chiral Saddle‐Shaped Nanographene With Two Heptagon‐Embedded [4]Helicenes
Angewandte Chemie International Edition, EarlyView.We present a novel synthetic strategy toward a chiral saddle‐shaped nanographene (cSNG) via a two‐step oxidation of a prochiral anthracene precursor. The Scholl‐type oxidation first yields a key intermediate with sp3‐defect heptagons, and subsequent oxidative dehydrogenation affords fully conjugated cSNG.
Felix Trautner +11 more
wiley +1 more source
Cooperative Redox Catalysis of N2O Decomposition by Short‐Range RhOx and CeOx Anchored to Co3O4
Angewandte Chemie International Edition, EarlyView.A short‐range Rh–O–Co–O–Ce interfacial moiety drives low‐temperature N2O decomposition via a cooperative redox cycle. Operando modulated‐excitation XAS with phase‐sensitive detection (ME‐XAS + PSD) tracks rapid, reversible Rh oxidation coupled to Co reduction.
Daniel C. Cano‐Blanco +7 more
wiley +1 more source
Asia-Pacific Journal of Chemical Engineering, EarlyView.ABSTRACT Four benzothiophenes, thianaphthene (BT‐1), 3‐bromothianaphthene (BT‐2), benzo[b]thiophene‐2‐carboxaldehyde (BT‐3), and benzo[b]thiophene‐2‐carbonitrile (BT‐4), were tested as mild steel corrosion inhibitors in 1‐M HCl. The compounds have the similar benzothiophene core but differ in the substituents bound to the ring.
Nhlanhla G. Chirwa +3 more
wiley +1 more source
Construction of Lean Coal Molecular Structure Model Based on Spectroscopic Characterization
Asia-Pacific Journal of Chemical Engineering, EarlyView.ABSTRACT The chemical structure of coal exerts a profound influence on its properties and utilization pathways. A comprehensive analysis of coal's molecular structure is crucial for mitigating environmental pollution arising from coal combustion and improving the efficiency of coal utilization.
Song Liu +5 more
wiley +1 more source