Uncategorized Archives - Page 15 of 158

VOCCluster: Untargeted Metabolomics {Feature|Function} Clustering {Approach|Method|Strategy} for Clinical Breath Gas Chromatography – Mass Spectrometry {Data|Information}

Chemexpress February 1, 2025 0 Comments

Our unsupervised clustering {technique|method|approach|strategy}, VOCCluster, prototyped in Python, handles {features|attributes|functions|characteristics|capabilities|options} of deconvolved GC-MS breath {data|information}. VOCCluster was {created|produced|developed|designed|made} from a heuristic ontology {based on|according to|depending on|determined by} the observation of…

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Modular Redox Switching of Dinuclear Organometallic Molecular Junctions

Chemexpress February 1, 2025 0 Comments

Molecular switch {is one of the|is among the|is amongst the} {essential|important|crucial|vital|necessary|critical} functional units of molecular electronics. {Here|Right here}, we report {development|improvement} of new molecular switches {based on|according to|depending on|determined by}…

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Photoswitching neutral homoaromatic hydrocarbons

Chemexpress February 1, 2025 0 Comments

The identification and characterization of homoaromatic compounds bearing an interrupted p-system are {fundamental|basic} challenges for the understanding of electronic interactions in organic molecules. {This is|This really is|This can be|That is}…

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THE OPTIMIZATION OF HYDRATED LIME PUTTIES AND LIME MORTARS {Using|Utilizing|Making use of|Employing|Working with|Applying} NOPAL PECTIN

Chemexpress February 1, 2025 0 Comments

{Considered|Regarded as|Deemed|Regarded|Viewed as|Thought of} the base material of millenary {building|developing|creating|constructing} systems in Mexico, hydrated lime has been traditionally {produced|created|made|developed} {since|because|given that|considering that|due to the fact|considering the fact that} pre-Hispanic {times|occasions|instances}.…

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Multi-task Proteochemometric Modelling

Chemexpress February 1, 2025 0 Comments

Motivation: In silico prediction of protein-ligand binding {is a|is really a|is actually a|can be a|is often a|is usually a} hot {topic|subject} in computational chemistry and machine learning-based drug discovery, as…

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Zwitterionic Osmolytes Employ Dual Mechanisms for Resurrection of Surface Charge {under|below|beneath} Salt-stress

Chemexpress January 31, 2025 0 Comments

Salt imbalance in cells {is a|is really a|is actually a|can be a|is often a|is usually a} {major|significant|main|key|big|important} detrimental abiotic {stress|tension|anxiety|pressure|strain} which causes ionic toxicity and disrupts {important|essential|crucial|critical|significant|vital} cellular functions. To…

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Retrosynthetic reaction pathway prediction {through|via|by means of|by way of} neural machine translation of atomic environments

Chemexpress January 31, 2025 0 Comments

Designing {efficient|effective} synthetic routes {for a|to get a|for any} target molecule remains {a major|a significant} challenge in organic synthesis. Atom environments are {ideal|perfect|best|excellent}, stand-alone, chemically meaningful {building|developing|creating|constructing} blocks {providing|supplying|offering|delivering|giving} a…

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From Inhibition to Degradation: Targeting the Anti-apoptotic Protein Myeloid Cell Leukemia 1(MCL1)

Chemexpress January 31, 2025 0 Comments

{Here|Right here} we show thedevelopment of heterobifunctional {small|little|tiny|modest|smaller|compact} molecules capable of selectively targeting MCL1 usinga Proteolysis Targeting Chimera (PROTAC) methodology {leading|top|major} to {successful|effective|productive|profitable|prosperous|thriving} degradation. Wehave confirmed the involvement {of the|from…

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Novel Azo-Stilbene and Pyridine-Amine Hybrid Multifunctional Molecules to Target Metal Mediated Neurotoxicity and Amyloid-β Aggregation in Alzheimer’s {disease|illness}

Chemexpress January 31, 2025 0 Comments

Neurodegenerative {diseases|illnesses|ailments} {such as|like|including|for example|for instance|which include} Alzheimer’s {diseases|illnesses|ailments} (AD) are {associated with|related to|connected with|linked to} progressive neuronal cell death {and a|along with a|as well as a|plus a|and also a|in…

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A Step-by-step Guide on {How to|How you can|The best way to|The way to|Tips on how to|Ways to} Construct quasi-Markov State Models to Study Functional Conformational {Changes|Modifications|Adjustments|Alterations} of Biological Macromolecules

Chemexpress January 31, 2025 0 Comments

Conformational {changes|modifications|adjustments|alterations} play {an important|an essential|a crucial|a vital} {role|function|part} {for many|for a lot of} biomolecules to {perform|carry out|execute} their functions. In {recent|current} years, Markov State Model (MSM) has {become|turn out…

VOCCluster: Untargeted Metabolomics {Feature|Function} Clustering {Approach|Method|Strategy} for Clinical Breath Gas Chromatography – Mass Spectrometry {Data|Information}

Modular Redox Switching of Dinuclear Organometallic Molecular Junctions

Photoswitching neutral homoaromatic hydrocarbons

THE OPTIMIZATION OF HYDRATED LIME PUTTIES AND LIME MORTARS {Using|Utilizing|Making use of|Employing|Working with|Applying} NOPAL PECTIN

Multi-task Proteochemometric Modelling

Zwitterionic Osmolytes Employ Dual Mechanisms for Resurrection of Surface Charge {under|below|beneath} Salt-stress

Retrosynthetic reaction pathway prediction {through|via|by means of|by way of} neural machine translation of atomic environments

From Inhibition to Degradation: Targeting the Anti-apoptotic Protein Myeloid Cell Leukemia 1(MCL1)

Novel Azo-Stilbene and Pyridine-Amine Hybrid Multifunctional Molecules to Target Metal Mediated Neurotoxicity and Amyloid-β Aggregation in Alzheimer’s {disease|illness}

A Step-by-step Guide on {How to|How you can|The best way to|The way to|Tips on how to|Ways to} Construct quasi-Markov State Models to Study Functional Conformational {Changes|Modifications|Adjustments|Alterations} of Biological Macromolecules

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