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Part 1 From molecular to supramolecular chemistry: concepts and language of supramolecular chemistry. Part 2 Molecular recognition: recognition, information, complementarity molecular receptors - design principles spheri...

El objetivo principal de esta tesis es ampliar los conocimientos sobre el diagnóstico, la prevalencia y la epidemiología molecular del HTLV-1/2 y brindar datos que permitan un diagnóstico más eficiente en Argentina. ...

Los electrodos modificados químicamente son sustratos conductores recubiertos con una película delgada que les confiriere propiedades funcionales de interés: electrocatálisis, electrocromismo, protección de la corro...

Materias / palabras clave: biomolecular chemistry, infection and immunity, medicinal chemistry, molecular genetics and genomics, nanotechnology and materials chemistry, science education; Science: Biology (General): Genetics; Science: Microbiology...

Lignin, the most abundant aromatic polymer from nature, represents a promising feedstock for sustainable functional materials. Yet its intrinsic structural heterogeneity and broad molecular weight distribution limit its ...

Students in A-Level and IB, and similar high-school curricula are expected to understand nucleophilic substitution mechanisms (SN1 and SN2), yet many rely on memorization because curricula do not provide a conceptual bri...

A molecularly imprinted solid-phase extraction (MISPE) sorbent has been developed for the separation of RIV from serum sample. Molecularly imprinted polymer (MIP) was prepared via non-covalent imprinting technique using ...

Abstract Eleusine coracana (L.) Gaertn., commonly known as Ragi or finger millet, is a nutrient-rich cereal traditionally valued for its health-promoting properties. However, its precise molecular mechanisms and therapeu...

Circulating cell-free DNA (cfDNA) is valuable for molecular testing, but typically requires specialized collection tubes or immediate processing. We investigated whether residual plasma from heparin separators, routinely...

To bridge the gap in visualization and interactivity found in traditional chemistry tools, this study developed an AR-powered comic using differentiated instruction to help students navigate the spatial complexities of m...

Strong coupling between light and molecular matter is currently attracting interest both in chemistry and physics, in the fast-growing field of molecular polaritonics. The large near-field enhancement of the electric fie...

Chemistry programmes worldwide are experiencing declining student enrolment, reflecting shifting career perceptions and competition from emerging fields. This comment outlines how the discipline is evolving into an integ...

The chemical behavior of sulfur in the interstellar medium (ISM), particularly in the dense regions where stars form, is still far from being well understood. Questions such as which is the main sulfur reservoir in the I...

Collisional quenching of NO A 2 S+ (v = 0) by N2O and CO2 has been studied through measurements of vibrationally excited products by time resolved Fourier transform infrared emission. In both cases vibrationally excited ...

La química y la física son disciplinas científicas que abarcan un conjunto específico de teorías, cada una de ellas con sus propios conceptos y leyes. Aunque ambas disciplinas mantienen un estrecho contacto en vario...

Abstract Generative deep learning models have demonstrated significant potential in designing drug-like molecules. However, medicinal chemistry typically requires generating analogues that combine structural similarity w...

Sarfaraz K Niazi Department of Pharmaceutical Sciences, University of Illinois, Chicago, IL, 60612, USACorrespondence: Sarfaraz K Niazi, Email sniazi3@uic.eduAbstract: Quantum technologies—quantum computing, quantum se...

Raman scattering can provide information on molecular fingerprints, which have been widely applied in various fields of material science and nanobiotechnology. Notably, low interference with water molecules in obtaining ...

Accelerated molecular dynamics and quantum conductance calculations are employed to shed light onto the electrochemical properties of the Au|1,8-octanedithiol|Au junction. Widely different contact geometries with varying...

We present a study of the microscopic dynamics of water trapped in reverse non-ionic micelles by means of a series of molecular dynamics simulations. The analysis of the effects of micellar confinement on spectroscopical...

We report the synthesis, structural characterization, and atomistic simulations of AgPd-Pt trimetallic (TM) nanoparticles. Two types of structure were synthesized using a relatively facile chemical method: multiply twinn...

Molecular chirality plays an important role in chemistry and biology, allows control of biological interactions, affects drug efficacy and safety, and promotes synthesis of new materials. In general, chirality manifests ...

Materias / palabras clave: Spectral line; Molecular spectroscopy; Diatomic molecule; Molecule; Chemistry; Physics; Astronomy; Organic chemistry

Abstract We present the theoretical and technical foundations of the Amsterdam Density Functional (ADF) program with a survey of the characteristics of the code (numerical integration, density fitting for the Coulomb pot...