Quantification of "Fuzzy" Chemical Concepts: A Computational Perspective

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Members of the Shewanella genus transfer electrons to metal and actinide electron acceptors such as hexavalent uranium, U(VI), via c-type cytochromes. The intracellular mechanism of electron transfer is well studied but the delivery of electrons to externa ...

Due to the high ring strain and unique bonding, cyclopropenes represent important 3-carbon synthons in organic synthesis. Intrigued by the unique reactivity of cyclopropenes, we were interested in further exploration of their chemical properties. Trying to ...

Organic azides are known for their reactivity and broad applicability in organic synthesis. These compounds are pivotal in various chemical transformations, including nucleophilic substitution and cycloaddition reactions. Beyond synthetic chemistry, organi ...

It is of great interest to the energy community to understand how the mechano-physico-chemical phenomena that eventually lead to device degradation are related to the startup, operation, and shutdown phases. For electrocatalytic systems operating in liquid ...

Traditional martial arts are treasures of humanity's knowledge and critical carriers of sociocultural memories throughout history. However, such treasured practices have encountered various challenges in knowledge transmission and now feature many entries ...

Over the course of history, the relationship between cities and their waters has shown different gradients of interweaving, marked by cycles of bonding and distancing. Following a period of complete neglect of urban watercourses, the versatile, multifacete ...

Large language models (LLMs) have shown strong performance in tasks across domains but struggle with chemistry-related problems. These models also lack access to external knowledge sources, limiting their usefulness in scientific applications. We introduce ...

Nature produces soft materials with fascinating combinations of mechanical properties. For example, the mussel byssus embodies a combination of stiffness and toughness, a feature that is unmatched by synthetic hydrogels. Key to enabling these excellent mec ...

Informed by longstanding artistic practice, this doctoral thesis approaches entanglements of Swiss coloniality in Brazil and Switzerland under the lens of land, archive, and visuality. The enduring legacies of imperial capitalism in the former Colonia Leop ...

The emergence of mycelium-bonded biocomposites has been stimulated in the quest for sustainable development. These biocomposites exhibit enhanced mechanical properties through hot pressing, with mycelium playing a crucial role as both the adhesive and rein ...

The last two decades have seen the development of organoid models for many different tissues and organs. Organoids are three-dimensional organ-mimetics derived from stem or progenitor cells comprising various specialized cell types, resembling the architec ...

Throughout history, the pace of knowledge and information sharing has evolved into an unthinkable speed and media. At the end of the XVII century, in Europe, the ideas that would shape the "Age of Enlightenment" were slowly being developed in coffeehouses, ...

We prove global in time well-posedness for perturbations of the 2D stochastic Navier-Stokes equations partial derivative( t)u + u center dot del u = Delta u - del p + sigma + xi, u(0, center dot ) = u(0),div (u) = 0, driven by additive space-time white noi ...

Purpose: Despite being an authentic carrier of various cultural practices, the human body is often underutilised to access the knowledge of human body. Digital inventions today have created new avenues to open up cultural data resources, yet mainly as appa ...

Various endeavours into semantic web technologies and ontology engineering have been made within the organisation of cultural data, facilitating public access to digital assets. Although models for conceptualising objects have reached a certain level of ma ...

Diffusion is one of the most important phenomena studied in science ranging from physics to biology and, in abstract form, even in social sciences. In the field of materials science, diffusion in crystalline solids is of particular interest as it plays a p ...

The extractive logic of Big Data-driven technology and knowledge production has raised serious concerns. While most criticism initially focused on the impacts on Western societies, attention is now increasingly turning to the consequences for communities i ...

We present an implementation of the Frenkel exciton model into the OpenMolcas program package enabling calculations of collective electronic excited states of molecular aggregates based on a multiconfigurational wave function description of the individual ...

Time has always been a central factor in understanding the challenges of daily mobility. For a long time, and still today, methods of economic evaluation of transport projects have monetized time savings so that they can be included in the cost–benefit ana ...

Commitment is a key primitive which resides at the heart of several cryptographic protocols. Noisy channels can help realize information-theoretically secure commitment schemes; however, their imprecise statistical characterization can severely impair such ...

Quantification of "Fuzzy" Chemical Concepts: A Computational Perspective

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Speciation-dependent molecular mechanism of electron transfer from the c-type cytochrome MtrC to U(VI)-ligand complexes

Development of synthetic methods starting from cyclopropenes: taming cyclopropyl radical, cyclopropyl and cyclopropenium cations

Radical-Mediated Azidation of Benzylic C-H Bonds and Azidofunctionalization of Alkenes

Quasi-operando Transmission Electron Microscopy Diagnostics for Electrocatalytic Processes in Liquids

Ontology-based Knowledge Representation for Traditional Martial Arts

Quartiers rhodaniens en transition

Augmenting large language models with chemistry tools

Localized Ionic Reinforcement of Double Network Granular Hydrogels

Echoing Swiss Coloniality. Land, Archive and Visuality between Brazil and Switzerland

Investigation of mycelium film as the adhesive for poplar veneer bonding: insight into interfacial bonding mechanisms

Bioengineering functional organoid models across scales

Machine Learning for Modeling Stock Returns

Global existence for perturbations of the 2D stochastic Navier-Stokes equations with space-time white noise

Unlocking a multimodal archive of Southern Chinese martial arts through embodied cues

Building a Knowledge Graph of Chinese Kung Fu Masters From Heterogeneous Bilingual Data

Atomic scale volume and grain boundary diffusion elucidated by in situ STEM

Diversity and neocolonialism in Big Data research: Avoiding extractivism while struggling with paternalism

A Multiconfigurational Wave Function Implementation of the Frenkel Exciton Model for Molecular Aggregates

Appropriations and Uses of Travel Time

On the (Im)possibility of Commitment over Gaussian Unfair Noisy Channels