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Journal articles on the topic 'Chimical Diversity'

Author: Grafiati

Published: 9 March 2024

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1

Awale, Mahendra, Ricardo Visini, Daniel Probst, Josep Arús-Pous, and Jean-Louis Reymond. "Chemical Space: Big Data Challenge for Molecular Diversity." CHIMIA International Journal for Chemistry 71, no. 10 (2017): 661–66. http://dx.doi.org/10.2533/chimia.2017.661.

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2

Schröder, Jens A., and Pauline E. Jullien. "The Diversity of Plant Small RNAs Silencing Mechanisms." CHIMIA International Journal for Chemistry 73, no. 5 (2019): 362–67. http://dx.doi.org/10.2533/chimia.2019.362.

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Small RNAs gene regulation was first discovered about 20 years ago. It represents a conserve gene regulation mechanism across eukaryotes and is associated to key regulatory processes. In plants, small RNAs tightly regulate development, but also maintain genome stability and protect the plant against pathogens. Small RNA gene regulation in plants can be divided in two canonical pathways: Post-transcriptional Gene Silencing (PTGS) that results in transcript degradation and/or translational inhibition or Transcriptional Gene Silencing (TGS) that results in DNA methylation. In this review, we will

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3

Fabrizio, Alberto, Ksenia Briling, Andrea Grisafi, and Clémence Corminboeuf. "Learning (from) the Electron Density: Transferability, Conformational and Chemical Diversity." CHIMIA International Journal for Chemistry 74, no. 4 (2020): 232–36. http://dx.doi.org/10.2533/chimia.2020.232.

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Machine-learning in quantum chemistry is currently booming, with reported applications spanning all molecular properties from simple atomization energies to complex mathematical objects such as the many-body wavefunction. Due to its central role in density functional theory, the electron density is a particularly compelling target for non-linear regression. Nevertheless, the scalability and the transferability of the existing machine-learning models of ρ(r) are limited by its complex rotational symmetries. Recently, in collaboration with Ceriotti and coworkers, we combined an efficient electro

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4

Wolfender, Jean-Luc, and Emerson Ferreira Queiroz. "Chemical Diversity of Natural Resources and the Bioactivity of their Constituents." CHIMIA International Journal for Chemistry 66, no. 5 (2012): 324–29. http://dx.doi.org/10.2533/chimia.2012.324.

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5

Ila, Hiriyakkanavar, and Hiriyakkanavar Junjappa. "Molecular Diversity through Novel Organosulfur Synthons: Versatile Templates for Heterocycle Synthesis." CHIMIA International Journal for Chemistry 67, no. 1 (2013): 17–22. http://dx.doi.org/10.2533/chimia.2013.17.

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6

Kang, Chengjun, and Andrei Honciuc. "A Diversity of Asymmetric Nano-/Microcolloidal Architectures Grown by ATRP from Janus Seeds." CHIMIA International Journal for Chemistry 73, no. 4 (2019): 324–28. http://dx.doi.org/10.2533/chimia.2019.324.

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7

Muñiz, Manuel, and Auxiliadora Aguilera-Romero. "A Role for Lipids in Protein Sorting?" CHIMIA 75, no. 12 (2021): 1026. http://dx.doi.org/10.2533/chimia.2021.1026.

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Lipid and protein diversity provides structural and functional identity to the membrane compartments that define the eukaryotic cell. This compositional heterogeneity is maintained by the secretory pathway, which feeds newly synthesized proteins and lipids to the endomembrane systems. The precise sorting of lipids and proteins through the pathway guarantees the achievement of their correct delivery. Although proteins have been shown to be key for sorting mechanisms, whether and how lipids contribute to this process is still an open discussion. Our laboratory, in collaboration with other groups

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8

Probst, Daniel. "The Societal and Scientific Importance of Inclusivity, Diversity, and Equity in Machine Learning for Chemistry." CHIMIA 77, no. 1/2 (2023): 56. http://dx.doi.org/10.2533/chimia.2023.56.

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While the introduction of practical deep learning has driven progress across scientific fields, recent research highlighted that the requirement of deep learning for ever-increasing computational resources and data has potential negative impacts on the scientific community and society as a whole. An ever-growing need for more computational resources may exacerbate the concentration of funding, the exclusiveness of research, and thus the inequality between countries, sectors, and institutions. Here, I introduce recent concerns and considerations of the machine learning research community that c

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9

Wennemers, Helma. "Peptides – Molecular Allrounders." CHIMIA International Journal for Chemistry 75, no. 6 (2021): 525–29. http://dx.doi.org/10.2533/chimia.2021.525.

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The enormous structural and functional diversity available through combining different amino acids into peptides offers numerous exciting opportunities. This article summarizes recent research highlights from my laboratory in the areas of asymmetric catalysis, supramolecular chemistry, and chemical biology. This scope includes the development of bioinspired peptide catalysts, synthetic collagen peptides, supramolecular porous assemblies, and cell-penetrating peptides.

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10

Simon, Clémence, Suihan Feng, and Howard Riezman. "Chemical Biology Tools to Study Lipids and their Metabolism with Increased Spatial and Temporal Resolution." CHIMIA 75, no. 12 (2021): 1012. http://dx.doi.org/10.2533/chimia.2021.1012.

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Lipids are important cellular components providing many essential functions. To fulfill these various functions evolution has selected for a diverse set of lipids and this diversity is seen at the organismal, cellular and subcellular level. Understanding how cells maintain this complex lipid organization is a very challenging problem, which for lipids, is not easily addressed using biochemical and genetic techniques. Therefore, chemical tools have an important role to play in our quest to understand the complexities of lipid metabolism. Here we discuss new chemical tools to study lipids, their

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11

Frey, Johanna, Sabine Choppin, Françoise Colobert, and Joanna Wencel-Delord. "Towards Atropoenantiopure N–C Axially Chiral Compounds via Stereoselective C–N Bond Formation." CHIMIA International Journal for Chemistry 74, no. 11 (2020): 883–89. http://dx.doi.org/10.2533/chimia.2020.883.

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N–C axial chirality, although disregarded for decades, is an interesting type of chirality with appealing applications in medicinal chemistry and agrochemistry. However, atroposelective synthesis of optically pure compounds is extremely challenging and only a limited number of synthetic routes have been designed. In particular, asymmetric N-arylation reactions allowing atroposelective N–C bond forming events remain scarce, although great advances have been achieved recently. In this minireview we summarize the synthetic approaches towards synthesis of N–C axially chiral compounds via stereocon

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12

Raed, Anas Abo, Vasudevan Dhayalan, Shahar Barkai, and Anat Milo. "N-Heterocyclic Carbene Triazolium Salts Containing Brominated Aromatic Motifs: Features and Synthetic Protocol." CHIMIA International Journal for Chemistry 74, no. 11 (2020): 878–82. http://dx.doi.org/10.2533/chimia.2020.878.

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In this work, we provide a brief overview of the role of N-aryl substituents on triazolium N-heterocyclic carbene (NHC) catalysis. This synopsis provides context for the disclosed synthetic protocol for new chiral N-heterocyclic carbene (NHC) triazolium salts with brominated aromatic motifs. Incorporating brominated aryl rings into NHC structures is challenging, probably due to the substantial steric and electronic influence these substituents exert throughout the synthetic protocol. However, these exact characteristics make it an interesting N-aryl substituent, because the electronic and ster

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13

Robert, Christelle A. M., and Pierre Mateo. "The Chemical Ecology of Benzoxazinoids." CHIMIA 76, no. 11 (2022): 928. http://dx.doi.org/10.2533/chimia.2022.928.

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Benzoxazinoids are specialized metabolites that modulate plant physiology and plant interactions with their environment. In this review, we synthesize their multiple functions and ecological relevance. We first provide an overview of benzoxazinoid biosynthesis and highlight known regulatory elements involved in modulating their production. We then outline the role of benzoxazinoids in plant nutrition, vegetative and reproductive growth, and defense. We further summarize benzoxazinoid response to environmental factors such as temperature, drought, CO2, light, or nutrient levels and emphasize th

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14

Arús-Pous, Josep, Mahendra Awale, Daniel Probst, and Jean-Louis Reymond. "Exploring Chemical Space with Machine Learning." CHIMIA International Journal for Chemistry 73, no. 12 (2019): 1018–23. http://dx.doi.org/10.2533/chimia.2019.1018.

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Chemical space is a concept to organize molecular diversity by postulating that different molecules occupy different regions of a mathematical space where the position of each molecule is defined by its properties. Our aim is to develop methods to explicitly explore chemical space in the area of drug discovery. Here we review our implementations of machine learning in this project, including our use of deep neural networks to enumerate the GDB13 database from a small sample set, to generate analogs of drugs and natural products after training with fragment-size molecules, and to predict the po

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15

Edwardson, Thomas G. W., Mikail D. Levasseur, and Donald Hilvert. "The OP Protein Cage: A Versatile Molecular Delivery Platform." CHIMIA International Journal for Chemistry 75, no. 4 (2021): 323–28. http://dx.doi.org/10.2533/chimia.2021.323.

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Well-defined containers constructed from multiple protein subunits are a unique class of nanomaterial useful in supramolecular chemistry and biology. These protein cages are widespread in nature, where they are responsible for a diversity of important tasks. As such, producing our own designer protein cages, complete with bespoke functionalities, is a promising avenue to new nanodevices, biotechnology and therapies. Herein, we describe how an artificial, computationally designed protein cage can be rationally engineered using supramolecular intuition to produce new functional capsules. Positiv

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16

"Poly(triacetylene)s: A New Class of Linearly π-Conjugated Oligomers and Polymers with an All-carbon Backbone". CHIMIA 55, № 3 (2001): 132. http://dx.doi.org/10.2533/chimia.2001.132.

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Linearly π-conjugated polymers are intensively investigated in both academia and industry for a diversity of advanced materials applications. Polyacetylenes (PAs) and poly(diacetylene)s (PDAs) were among the earliest investigated linearly π-conjugated polymers possessing an all-carbon backbone. They actually represent the first members in an entire progression of linear all-carbon polymers which starts with polyacetylene and ultimately extends to carbyne. Here, we describe the discovery and systematic investigation of poly(triacetylene)s (PTAs), the third class of compounds in this progression

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17

"The Alkaloids of Triphyophyllum peltatum (Dioncophyllaceae)." CHIMIA 52, no. 1-2 (1998): 18. http://dx.doi.org/10.2533/chimia.1998.18.

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A great diversity of naphthylisoquinolines, presumably acetogenic biaryl alkaloids, has been obtained from the West-African liana Triphyophyllum peltatum. By the example of dioncophylline A, the main alkaloid from T. peltatum, we illustrate the various methods of structural elucidation established in our laboratory. The structural peculiarities of some of the minor alkaloids from the same species are discussed. A perspective on the interesting biological activities of various alkaloids from T. peltatum and related plants is given. The most promising lead is dioncophylline C, marked by pronounc

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18

"The Development of Enzymes for the Preparation of Chemicals." CHIMIA 53, no. 12 (1999): 613. http://dx.doi.org/10.2533/chimia.1999.613.

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The use of enzymes as catalysts for the preparation of novel organic molecules is becoming more widespread every year. The science of biotransformation has matured, and biocatalysts now stand alongside other forms of catalysts to be considered as viable options for the promotion of a particular reaction. Of great importance for the breakthrough of biocatalysts was the availability of enzymes and the increasing demand for enantiomerically pure compounds. Especially, hydrolytic enzymes, lyases, and oxidoreductases are of technical importance today. The potential of enzymes for the synthesis of c

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19

"Research Topics." CHIMIA 50, no. 12 (1996): 655. http://dx.doi.org/10.2533/chimia.1996.655.

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Quantum-mechanical calculations have been applied to predict thermodynamic and reactivity properties of unknown organic molecules, being stable compounds or reactive intermediates. Through synthesis some of the theoretical systems become real compounds that can be synthons (synthetic intermediates) or chirons (optically pure synthetic intermediates) useful in the preparation of natural products and analogues of biological interest (anti-cancer, anti-virus, antibiotic, anti-diabetes agents). Our interests concentrate on remote substituent effects as we want to play with them together with polyf

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20

"Feed Stuffs Analysis at the Swiss Federal Research Station for Animal Production (RAP), Posieux : Die Futtermittelanalytik an der Eidgenössischen Forschungsanstalt für Nutztiere (RAP) in Posieux." CHIMIA 51, no. 10 (1997): 777. http://dx.doi.org/10.2533/chimia.1997.777.

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Agricultural research and associated control or service activities are carried out, in Switzerland, in six federal research stations. The Swiss Federal Research Station for Animal Production (RAP) focuses on the optimal conversion of feed stuffs into milk and meat, taking into account animal requirements as well as ecological and economic considerations. The station also operates the official Swiss feed stuffs control laboratory. Its analytical chemistry section carries out over 100 000 tests/year, using chemical, physical and microbiological methods, and authenticity procedures based on molec

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21

"Directed Evolution with Fast and Efficient Selection Technologies." CHIMIA 55, no. 4 (2001): 325. http://dx.doi.org/10.2533/chimia.2001.325.

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Directed molecular evolution has proven to be a very powerful concept for the generation of proteins with improved properties, such as increased activity, binding affinity, folding efficiency or enhanced chemical and/or thermodynamic stability. We review here advances in the selection of proteins carrying desired mutations from pools of proteins that mostly carry unfavourable alterations. A short overview of the concept of directed evolution with a discussion of randomisation strategies is given first. Two technologies for the selection of proteins, each with its own advantages, are then discu

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22

"Enhanced Enzyme Performance by DNA Shuffling." CHIMIA 53, no. 12 (1999): 617. http://dx.doi.org/10.2533/chimia.1999.617.

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In the quest for enhanced enzyme performance in non-natural applications, directed evolution emulates natural processes for the generation of diversity and selection of desirable traits. Classical methods for improving protein characteristics rely upon point mutation or cassette mutagenesis of a selected region within a desired sequence (i.e., focusing on a narrow sequence space). However, computer simulations of the evolution of linear sequences have demonstrated the importance of recombination of blocks of related sequences rather than sequence mutation alone. DNA shuffling includes in vivo

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23

"Extended Substrate Acceptance of Herpes Simplex Virus Type 1 Thymidine Kinase: a New Chance for Gene and Antiviral Therapy." CHIMIA 54, no. 11 (2000): 663. http://dx.doi.org/10.2533/chimia.2000.663.

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Herpes simplex virus type 1 thymidine kinase (HSV1-TK) has become increasingly important as a target in medicinal chemistry because of its links to therapy of viral infection, gene therapy of cancer and allogeneic transplantation. These applications are based on the differences in binding properties between the human and the viral enzyme. Several problems have been encountered in the clinic, e.g. the increase of resistance for antiviral drugs and the immunosuppressive effects of the dosages needed for tumor regression. Thus intensive efforts have been directed towards understanding substrate d

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