jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Charlisar Teron | Ananta Choudhury | Nurjamal Hoque
Source: Asian Journal of Pharmaceutical Research and Development (article, 2024-06-15)
Field: Materials Science — Biomaterials

Recent Advancement In Nanocarrier Systems For Cancer Targeting Cancer is a disease that has a complicated pathological process. Current chemotherapy has issues such as lack of selectivity, cytotoxicity, generation of multi-drug resistance, and the formation of stem-like cells. The novel treatment modalities enabled by nanomaterial characteristics have expanded their reach in cancer therapy beyond traditional medication delivery. Nanotechnology has been actively researched and used in cancer treatment because nanoparticles can serve as an effective medication delivery mechanism. Nanoparticle-based drug delivery provides distinct benefits over traditional drug administration, including greater stability and biocompatibility, increased permeability and retention effect, and precision targeting. There are numerous major categories of nanomaterials utilized in cancer treatment. These nanomaterials, which target cancer cells, the tumor microenvironment, and the immune system, have been modified for a variety of cancer treatments in order to overcome toxicity and lack of selectivity, as well as to improve drug capacity and bioavailability. Furthermore, nanoparticle-based drug delivery systems have been found to help overcome cancer-related treatment resistance. In cancer therapy, nanoparticles can be used to encapsulate active pharmacological substances and deliver them to the tumor location more efficiently. This overview lists the several types of nanoparticles that have been tested in clinical trials for cancer therapy. Furthermore, the most recent advancements in the use of nanoparticles in cancer therapy are emphasized.The literature for this study was compiled using databases such as PubMed, Google Scholar, and ScienceDirect on nanoparticles in the treatment of cancer have been collected. The present article focuses on nanotechnology advancements, specifically nanocarriers for anticancer medication delivery. It covers nanoparticles, polymeric micelles, dendrimers, hydrogels system and finally the future prospects of the nanocarrier. Nanocarriers ; Cancer ; Nanotechnology ; Medicine ; Materials science ; Internal medicine ; Drug delivery Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications
Authors: Wen‐Yong Han | Jiahe Chen | Li‐Ren Zhang | Zhang‐Yang Wang | Lujie Liu | Liping Tu | Yun Zhang | Yong‐Zheng Chen
Source: Research Square (preprint, 2024-04-19)
Field: Chemistry — Inorganic Chemistry

De Novo Synthesis of α-Ketoamides via Pd/TBD Synergistic Catalysis Abstract Precise control on the product selectivity of a reaction is an important objective in organic synthesis. α-ketoamides are vital intermediates in chemical transformation and privileged motifs in numerous drugs, natural products and biologically active molecules. The selective synthesis of α-ketoamides from feedstock chemicals in a safe and operationally simple manner under mild conditions is a long-standing challenge in catalysis. Herein we disclose an unprecedented TBD-switched Pd-catalyzed double isocyanide insertion reaction of (hetero)aryl halides or pseudohalides for the assembly α-ketoamides in aqueous DMSO under mild conditions. The effectiveness and utility of this protocol are demonstrated by diverse substrate scope (85 examples), late-stage modification of pharmaceuticals, scalability in large-scale synthesis, transformations of functional groups, as well as the synthesis of pharmaceutically active molecules. Mechanistic studies indicate that TBD is a key ligand to modulate the Pd-catalyzed double isocyanide insertion process, thus selectively providing the desired α-ketoamides in a unique manner. In addition, imidoylpalladium(II) complex and α-ketoimine amide are successfully isolated and determined by X-ray analysis, proving them the probable intermediates in the catalytic pathway. Catalysis ; Chemistry ; Combinatorial chemistry ; Business ; Organic chemistry Asymmetric Hydrogenation and Catalysis ; Catalytic C–H Functionalization Methods ; Synthesis and Biological Evaluation
Authors: Tobias Leemann | Alina Fastowski | Felix Pfeiffer | Gjergji Kasneci
Source: arXiv (Cornell University) (preprint, 2024-05-22)
Field: Materials Science — Materials Chemistry

Attention Mechanisms Don't Learn Additive Models: Rethinking Feature Importance for Transformers We address the critical challenge of applying feature attribution methods to the transformer architecture, which dominates current applications in natural language processing and beyond. Traditional attribution methods to explainable AI (XAI) explicitly or implicitly rely on linear or additive surrogate models to quantify the impact of input features on a model's output. In this work, we formally prove an alarming incompatibility: transformers are structurally incapable of representing linear or additive surrogate models used for feature attribution, undermining the grounding of these conventional explanation methodologies. To address this discrepancy, we introduce the Softmax-Linked Additive Log Odds Model (SLALOM), a novel surrogate model specifically designed to align with the transformer framework. SLALOM demonstrates the capacity to deliver a range of insightful explanations with both synthetic and real-world datasets. We highlight SLALOM's unique efficiency-quality curve by showing that SLALOM can produce explanations with substantially higher fidelity than competing surrogate models or provide explanations of comparable quality at a fraction of their computational costs. We release code for SLALOM as an open-source project online at https://github.com/tleemann/slalom_explanations. Transformer ; Feature (linguistics) ; Computer science ; Psychology ; Cognitive science ; Engineering ; Electrical engineering ; Philosophy ; Linguistics ; Voltage Machine Learning in Materials Science
Authors: Kannan Jakkan
Source: International Journal of Applied Chemistry (article, 2024-07-31)
Field: Chemistry — Analytical Chemistry

Analytical Approaches to Understanding and Qualifying Extraneous Peaks in Impurity Profiling of Drug Products and Active Pharmaceutical Ingredients In chromatography, the presence of extraneous peaks refers to a serious issue, which complicates the further analytical data evaluation. It is an important problem with chromatography that extraneous peaks may appear that give unaccredited errors in analytical results. These ‘overloaded’ regions can be due to various factors like the presence of interfering substances in the sample matrix, the reagents, the chromatographic columns, or the formation of artifacts during the analytical process. The following review explores the potential reason that contributes to the extra peaks and identifies major points including sample preparation, system control, and quality supply products. Among others, it goes a step further in analyzing refined troubleshooting approaches as well as how to avoid the costs associated with these sudden spikes. Otherwise, by recognizing the causative factors of extra humps, the chromatographic measurements could be made more accurate and the peaks more distinctive and clearer, and therefore meet the expectations of analysts. This research work is concerned with the examination of such patterns, their detection, as well as their categorization into qualified or not. Thus, to identify the causes of extraneous peaks we systematically discuss potential sources of these peaks, including sample impurities, reagents contamination, or artificial peaks from instruments. Protein peaks under study are well characterized using Mass spectrometry and spectral analysis to quantify the values for analytical purposes. This work aims to provide, through intensive investigation and strict qualification, more credibility and fewer errors for the chromatographic analysis and, thus, the quality of the derived analytical data. Active ingredient ; Profiling (computer programming) ; Drug ; Impurity ; Pharmaceutical drug ; Biochemical engineering ; Business ; Chemistry ; Chromatography ; Nanotechnology ; Pharmacology ; Computer science ; Materials science ; Medicine ; Engineering ; Organic chemistry Analytical Methods in Pharmaceuticals ; Chemical Thermodynamics and Molecular Structure ; Analytical Chemistry and Chromatography
Authors: Gunjan Chaudhari | Harprit Kaur Bagga | Gaurav Raghuwanshi | Ujwal Vyas
Source: International Journal of Pharmaceutical Quality Assurance (article, 2024-09-25)
Field: Materials Science — Biomaterials

Recent Advancements in Drug Delivery System in Lung Cancer Eliminating the fact that the use of free pharmaceuticals in conventional dosage forms usually involves difficulties in hitting the target site at the appropriate dose after or during a correct time period, medication targeting specific organs and tissues became one of the century's most important initiatives. Thus, finding new drug delivery strategies and modes of action are lines of battle. Difficulties are still encountered with radiation therapy to accurately track the movements of lung tumors while treatments are being admitted. The development of MRI-linac hybrid system prototypes offers the possibility of real-time, ionization-free tumor imaging. This study assesses how well lung tumor tracking algorithms function on five healthy participants' cine-MRI sagittal images. The targets were vascular structures that could be seen. Lung cancer is the leading cause of mortality in the world. This is one of the heterogeneous diseases that include, at the basic level, two main subtypes: small cell lung cancer and non-small cell lung cancer. Less than 20% of patients with LC survive for 5 years on average despite recent improvements in treatment. The effectiveness of existing therapeutic techniques is impaired because of severe off-target effects and innate or acquired medication resistance. The two major types of lung cancers are SCLC and NSCLC; among these, the former is the most frequently diagnosed. Lung cancers account for the highest mortality rate due to cancer. The application of nanomedicines can partially overcome the failures that are associated with the anticancer therapies against NSCLC. One of the nanoparticle subfields that hold out much promise for better delivery while ensuring stability and sufficient bioavailability of administered anticancer medications is nanomedicine. Drug delivery ; Medicine ; Lung cancer ; Drug ; Intensive care medicine ; Cancer ; Oncology ; Internal medicine ; Pharmacology ; Nanotechnology ; Materials science Nanoparticle-Based Drug Delivery ; Synthesis and biological activity ; Enzyme function and inhibition
Authors: Qassim Ahmed Al-Jarwany | Tarik Al-Kubaisy | Ali S. Hasan | Yasmin E. Kotb
Source: ARCHIVES OF ENGINEERING KNOWLEDGE (article, 2024-01-01)
Field: Materials Science — Biomaterials

Does nano-drug delivery systems based on biopolymers offer to transform medication dosage form and enhance patient care (Review) In this review, interest has been given in the past few years to biopolymer-based nanoparticle drug delivery systems that possess antioxidant properties and are being worked on in the field of pharmaceutical research for their importance in treating many serious diseases. These systems not only provide antioxidant properties that help in reducing diseases associated with oxidative stress but also provide promising ways to administer targeted drugs from many applications and organizations. There is a continuous need for new and fruitful therapeutic approaches and drug delivery systems (DDSs) because the healthcare sector is generally dynamic and needs to work on many new drugs. Drug delivery systems (DDSs) play a major role in significantly improving the efficacy of treatment, reducing the side effects of the patient from taking the vaccine, and improving the patient's compliance with recovery. Many nanocomposites such as nanoparticles, nanocapsules, nano tubes, and other nanomaterials have been used in tissue engineering and various applications such as drug delivery. Biopolymer-based drug delivery systems hold great potential as well, as they can encapsulate medications and offer precise and regulated release. These systems also have the advantages of reduced immunogenicity, biodegradability, and biocompatibility. The biopolymer matrices comprising proteins, poly esters, polysaccharides, and nucleotides significantly enhance the adaptability and performance of drug delivery systems. Furthermore, mate rials with antioxidant characteristics have emerged as major participants in the challenging fight against diseases connected with oxidative stress because they provide protection against chronic diseases and cell damage, which is a tremendous advantage. The creation of antioxidant nanoformulations based on biopolymers is a crucial and quickly developing field of study that has published a large number of papers in recent years. This report offers a thorough summary of the most recent advancements in this field of health over the previous five years. It includes different biopolymer materials, production procedures, stabilizers, factors affecting degradation, and medication release. It also provides im portant insight into the latest advancements in this ever-changing industry, as well as the opportunities and difficulties that exist. Drug delivery ; Drug ; Flexibility (engineering) ; Targeted drug delivery ; Health care ; Adaptability Nanoparticle-Based Drug Delivery ; Advanced Drug Delivery Systems ; Silymarin and Mushroom Poisoning
Authors: Prashant A Gotmare | Sanjay V. Kolhe
Source: International Journal of Chemical Research and Development (article, 2024-01-01)
Field: Chemistry — Organic Chemistry

Synthesis, characterisation and antimicrobial activity of n-substituted 2-thiohydantoin derivatives Novel 2-thiohydantoin derivatives (1a and 1b) were synthesized from aurones with solvent ethanol. The structures of synthetic compounds were characterized using Fourier-transform infrared spectroscopy (FT-IR), 1H-nuclear magnetic resonance (NMR) spectroscopy, and mass spectrometry. Synthesized compounds shows good to moderate antibacterial and antifungal activities against Bacterial culture, Escherichia coli (MTCC-452), Pseudomonas aeruginosa (MTCC-3541), Mycobacterium tuberculosis (MTCC-300), Enterococcus faecalis, Aspergillus niger, (MTCC-281), Candida. Albicans, (MTCC- 854) species. Antimicrobial ; Chemistry ; Combinatorial chemistry ; Organic chemistry Synthesis of heterocyclic compounds
Authors: Muhamad Muhamad Alkriz | Dima Joujeh
Source: Fabad Journal of Pharmaceutical Sciences (article, 2024-02-22)
Field: Materials Science — Biomaterials

Nanoparticles, Aptamers and Aptamer-Conjugated Nanoparticles in Cancer Therapy Cancer represents one of the main causes of death around the world, causing about 10 million deaths in the year 2020. Large progress has been made in the discovery of targeted therapy for cancer in recent years. Targeted therapy is a branch of cancer treatment that targets a specific site, without affecting the surroundings. The current review focused on recent achievements in the field of targeted anti-cancer drug delivery based on aptamers, nanoparticles and aptamer-conjugated nanoparticles. It included a comprehensive survey of almost all recent studies published on this topic and comprehensively discussed the properties, advantages and disadvantages of using these formulations as delivery vehicles in cancer therapy. We also provided examples of nanoparticles, aptamers targeting cancer biomarkers, aptamer-drug conjugates and aptamer- conjugated nanoparticles, employed in targeted cancer therapies, and discussed the cytotoxicity of these formulations on cancer and non-cancer cell lines. The factors that can trigger nanoparticles for optimal drug release were also discussed. We hope that this review will provide additional information that will facilitate advanced applications of nanoparticle/ aptamer based drug delivery systems for cancer therapy. Aptamer ; Conjugated system ; Nanoparticle ; Cancer therapy ; Nanotechnology ; Cancer ; Chemistry ; Materials science ; Medicine ; Molecular biology ; Biology ; Internal medicine ; Polymer Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications ; Nanoplatforms for cancer theranostics
Authors: Jelena Jeftić | Mathieu Berchel | Cristelle Mériadec | Loı̈c Lemiègre | Franck Artzner | Thierry Benvegnu
Source: Spectroscopy Letters (article, 2024-09-22)
Field: Materials Science — Biomaterials

Spectroscopic determination of Deborah numbers in membrane-mimetic bolaamphiphile assemblies International audience Chemistry ; Membrane ; Nanotechnology ; Polymer science ; Biochemistry Supramolecular Self-Assembly in Materials ; Lipid Membrane Structure and Behavior ; Advanced biosensing and bioanalysis techniques
Authors: Artur Martynov | Boris Farber | Tatyana Bomko | Daniel Beckles | Ilya Kleyn
Source: Drug Design Development and Therapy (article, 2024-04-01)
Field: Chemistry — Organic Chemistry

Molecular Modeling, Synthesis, and Antihyperglycemic Activity of the New Benzimidazole Derivatives – Imidazoline Receptor Agonists The docking showed that the ursodeoxycholic acid benzimidazole derivatives have high tropics to all imidazoline receptor carriers (PDB ID: 2XCG, 2bk3, 3p0c, 1QH4). The ursodeoxycholic acid benzimidazole derivative and arginine and histidine benzimidazole derivatives showed the highest sugar-lowering activity in the experiment on alloxan-diabetic rats. For these derivatives, the difference in glucose levels of treated rats was significant against untreated control. Therefore, the new derivatives of benzimidazole and labile natural organic acids can be used to create new classes of imidazoline receptor inhibitors for the treatment of diabetes mellitus and hypertension. Benzimidazole ; Imidazoline receptor ; Alloxan ; Chemistry ; Docking (animal) ; Stereochemistry ; Pharmacology ; Diabetes mellitus ; Organic chemistry ; Endocrinology ; Biology ; Medicine Synthesis and biological activity ; Computational Drug Discovery Methods ; Natural Antidiabetic Agents Studies
Authors: Jason Devaux
Source: theses.fr (ABES) (article, 2024-12-03)
Field: Chemistry — Spectroscopy

New methodologies for the characterization of microalgae bio-oils by supercritical fluid chromatography hyphenated to ultra-high resolution mass spectrometry Le développement des sources d’énergies renouvelables est particulièrement important pour réduire les émissions de gaz à effets de serre et à terme, remplacer les combustibles fossiles. Parmi ces énergies renouvelables, les biocarburants obtenus à partir de biomasse semblent intéressants, notamment pour les secteurs aéronautiques et maritimes. Lors de la conversion de microalgues par des voies thermochimiques, une bio-huile contenant des milliers de composés, notamment des composés azotés et oxygénés est obtenue. Cette bio-huile ne peut pas être utilisée comme biocarburant sans traitements d’améliorations préalables pour diminuer sa viscosité et le nombre de molécules hétéroatomiques, et ainsi augmenter son pouvoir calorifique. Afin de trouver les processus les plus adaptés, il est important de connaître la composition moléculaire des bio-huiles. Pour la caractérisation de tels mélanges, la combinaison d’appareil de haute technologie est nécessaire. L’objectif de cette thèse est de développer des méthodes analytiques innovantes et complémentaires, utilisant la chromatographie (à une et deux dimensions) et la spectrométrie de masse à haute et ultra-haute résolution pour la caractérisation de bio-huiles de microalgues. Les analyses par introduction directe dans un spectromètre de masse à résonance cyclotronique des ions par transformée de Fourier (FTICR MS) ont permis de choisir la source d’ionisation la plus adaptée à ces échantillons en comparant les formules moléculaires attribuées. Ces résultats ont permis de mettre en place le couplage de la chromatographie par fluide supercritique (SFC) au FTICR (SFC-FTICR MS), bien que des compromis aient été nécessaires. La complexité isomérique de l’échantillons est mise en évidence grâce à des chromatogrammes d’ions extrait (EIC), permettant également de démontrer que les familles de composés étaient séparées. Enfin, pour séparer davantage de composés, une méthode de chromatographie bidimensionnelle (RPLC × SFC-qToF) en ligne a été développée. Une nouvelle configuration de vanne reliant les deux dimensions est présentée, afin de faciliter le couplage et d’en optimiser l’efficacité. Supercritical fluid chromatography ; Separation method ; Mass spectrometry ; Resolution (logic) Analytical Chemistry and Chromatography ; Advanced Chemical Sensor Technologies
Authors: Abdellateif Okkod | S. Venkateswarlu Reddy
Source: International Journal of Drug Delivery Technology (review, 2024-06-24)
Field: Materials Science — Biomaterials

A Comprehensive Review of Advances in Nanoparticle-Based Cancer Therapy A promising method for treating different kinds of cancer is cancer therapy based on nanoparticles. The goal of this thorough analysis is to present a summary of the most current developments in cancer treatment using nanoparticles and discuss the different kinds of nanoparticles and how they might be used to enhance therapeutic efficacy and deliver anticancer medications. These include mesoporous dendritic silica nanospheres, gold nanoparticles, and chitosan nanoparticles. The review stresses the significance of stability and dynamic interfaces in attaining effective drug administration and addresses the difficulties related to medication release and degradation in nanoparticle-based therapy. Moreover, it investigates the immune reactions, such as dendritic cell maturation and immune response activation, that are brought on by nanoparticle-based therapy. Overall, this thorough analysis highlights the promise of these cutting-edge strategies for enhancing the effectiveness of cancer treatment and offers insightful information about the developments in nanoparticle-based cancer therapy. The information provided in this study contributes to the growing corpus of information in the field of nanomedicine and suggests future avenues for investigation and development of treatments utilizing nanoparticles to treat cancer Cancer therapy ; Nanotechnology ; Cancer ; Medicine ; Materials science ; Internal medicine Nanoparticle-Based Drug Delivery ; Cancer Research and Treatment
Authors: Xiaojuan Dong | Yingbo Shao | Zhengyi Liu | Huang Xia | Xiao‐Song Xue | Yiyun Chen
Source: Angewandte Chemie (article, 2024-07-19)
Field: Chemistry — Organic Chemistry

Radical 6‐<i>Endo</i> Addition Enables Pyridine Synthesis under Metal‐Free Conditions Abstract Metal‐free synthesis of heterocycles is highly sought after in the pharmaceutical industry and has garnered widespread attention due to eliminating the need to remove trace metal catalysts from the reaction. We report a radical 6‐ endo addition method for pyridine synthesis from cyclopropylamides and alkynes under metal‐free conditions. Various terminal and substituted alkynes are inserted as C2 units into cyclopropylamides to synthesize versatile pyridines with 57 examples. Mechanistic investigations and computational studies indicate the unprecedented 6‐ endo ‐ trig addition of vinyl radicals to the imine nitrogen atom rather than the conventional 5‐ exo ‐ trig addition to the imine carbon atom, in which the hypervalent iodine(III) plays a critical role. This reaction easily scales up with excellent functional group compatibility and suits the late‐stage pyridine installation on complex molecules. Pyridine ; Chemistry ; Metal ; Photochemistry ; Combinatorial chemistry ; Organic chemistry Radical Photochemical Reactions ; Catalytic C–H Functionalization Methods ; Chemical Synthesis and Reactions