jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Padala Thirupathi
Source: International Journal on Science and Technology (article, 2026-03-16)
Field: Materials Science — Biomaterials

The Diverse Roles of Microorganisms in Biomedicine, Industry, and the Environment: A Study of Algae, Bacteria, Fungi, and Viruses Microorganisms, encompassing algae, bacteria, fungi, and viruses, are no longer viewed merely as agents of disease but as indispensable biological factories driving innovation in the 21st century. This study systematically examines the evolving roles of these microbes across biomedical, industrial, and environmental sectors. In biomedicine, the focus has shifted toward precision medicine, with 2024–2025 research highlighting the success of viral vectors in gene therapy and the resurgence of bacteriophage therapy to combat multi-drug resistant (MDR) bacteria. Industrial applications have transitioned toward a "circular bioeconomy", where fungal and bacterial fermentation processes are used to produce biodegradable polyhydroxyalkanoates (PHAs) and high-value enzymes for the food and biofuel sectors. Environmental efforts are now centered on microbial carbon capture and advanced bioremediation of "forever chemicals" (PFAS). This article synthesizes recent data, including the 2024 Global Bio-India findings and 2025 advances in microbial mineral carbonation, to outline a roadmap for future microbial exploration and demonstrates that the integration of algae, bacteria, fungi, and viruses is not merely an academic exercise but a necessity for surviving the ecological and health challenges of the late 2020s. The data from 2024 and 2025 confirm that microbial technology is scaling rapidly, offering a path to a future where medicine is personalized, industry is circular, and the environment is actively restored. Metagenomics ; Bioremediation ; Microbial ecology ; Human health ; Genetically engineered ; Microbial population biology biodegradable polymer synthesis and properties ; Microbial Metabolic Engineering and Bioproduction ; Bacteriophages and microbial interactions
Authors: Dilip Kumar Jangid | Aishwarya Prakash | Shubhankar Kumar Bose | Rajendra S. Dhayal
Source: Angewandte Chemie International Edition (article, 2026-02-15)
Field: Materials Science — Materials Chemistry

Atomically Precise [Cu‐Cu <sub>54</sub> ] Nanocluster‐Catalyzed Three‐Component Borylative Coupling of Alkynes with Alkyl Bromides and Chlorides The well-defined metal nanoclusters (NCs) have emerged as versatile and sustainable catalysts for organic synthesis. However, development of catalyst for simultaneous C─C and C─B bond-forming reactions based on NCs is still unknown. Herein, we developed an atomically precise, mixed-valence (Cu<sup>I</sup>/Cu<sup>II</sup>), high-nuclearity binary NC, Cu<sub>55</sub>S<sub>20</sub>(S<sup>t</sup>Bu)<sub>20</sub>(O<sub>3</sub>S<sup>t</sup>Bu)<sub>12</sub> [Cu-Cu<sub>54</sub>], synthesized in high yield via a reducing agent-assisted trithiocarbamate dissociation approach. The [Cu-Cu<sub>54</sub>] NC was characterized by single-crystal X-ray diffraction (SCXRD), X-ray photoelectron spectroscopy (XPS), electron paramagnetic resonance (EPR), and nuclear magnetic resonance (NMR) spectroscopy. SCXRD uncovers a nested concentric layers architecture with a core {Cu@Cu<sub>12</sub>@S<sub>12</sub>@S<sub>8</sub>} and a shell {Cu<sub>24</sub>@Cu<sub>12</sub>@Cu<sub>6</sub>@(S<sup>t</sup>Bu)<sub>20</sub>(O<sub>3</sub>S<sup>t</sup>Bu)<sub>1</sub> <sub>2</sub>}, featuring a metal-centered icosahedral Cu@Cu<sub>12</sub> unit that has never been observed in copper sulfide [Cu-S] NCs. Distinctly, [Cu-Cu<sub>54</sub>] NC serve as an efficient catalyst for the highly selective three-component difunctionalization of alkynes with bis(pinacolato)diborane (B<sub>2</sub>pin<sub>2</sub>) and alkyl electrophiles including alkyl chlorides under mild reaction conditions. The desired trisubstituted vinylboronate esters were obtained in excellent yields with a wide range of electronically diverse carbon electrophiles and alkyne. Additionally, in the absence of electrophiles, the hydroboration of alkynes efficiently afforded vinylboronate esters in high yields with excellent regioselectivity. The synthetic transformations and gram-scale reaction further highlight the usefulness of this protocol. Alkyl ; Electrophile ; Catalysis ; Nanoclusters ; Coupling reaction ; Sulfide ; Dissociation (chemistry) ; Metal ; Tetrahydrofuran Nanocluster Synthesis and Applications ; Organoboron and organosilicon chemistry ; Catalytic Cross-Coupling Reactions
Authors: Alem Gebrehawerya Reta | Tesfamariam Teklu | Goitom Gebreyohannes Berhe | Hailay Kebede Gebremedhin | Divya Naga Aparna Allu | Krishna Chaithanya Karri
Source: Research Square (preprint, 2026-01-06)
Field: Materials Science — Materials Chemistry

Antibacterial efficacy of Clematis simensis mediated Copper Oxide nanoparticles against Multi-Drug-Resistant Bacterial Pathogens Antibacterial activity ; Zeta potential ; Agar diffusion test ; Nanoparticle ; Polyphenol ; Bacteria ; Bacterial growth ; Antibacterial agent Copper-based nanomaterials and applications ; Nanoparticles: synthesis and applications ; Advanced Nanomaterials in Catalysis
Authors: Qiyao Yang | Ruxuan Wang | Huang Lingling | Qiong Bian | Qichun Wei
Source: Theranostics (article, 2026-02-11)
Field: Materials Science — Materials Chemistry

Nanobiomaterial-enabled boron delivery systems and innovative strategies for revolutionizing BNCT Boron neutron capture therapy (BNCT) is a novel and emerging form of radiotherapy that combines the advantages of "heavy ion radiotherapy" and "biological targeting". The therapeutic potential of BNCT is ultimately constrained by precise and efficient delivery of boron drugs. In this review, we systematically trace from conventional boron drugs to sophisticated nano-delivery platforms, emphasizing breakthroughs in carrier engineering, targeted delivery strategies, and multifunctional synergistic systems. A dedicated analysis of the biological foundations, such as cell cycle dynamics, tumor microenvironmental interactions, and immunostimulatory effects, provides a crucial framework for understanding mechanism-informed biomaterial design. By synthesizing current advances with an outlook on future challenges, this work aims to chart a course for translating innovative boron-loaded biomaterials from the laboratory into clinical reality, thereby unlocking the full promise of BNCT. Boron ; Delivery system ; Biocompatible material Boron and Carbon Nanomaterials Research ; Boron Compounds in Chemistry ; Organoboron and organosilicon chemistry
Authors: Fernanda Karoline Vieira da Silva Torchelsen | Eduardo Burgarelli Lages | Maria Alice de Oliveira | André Luís Branco de Barros | Vanessa Carla Furtado Mosqueira
Source: Pharmaceuticals (article, 2026-02-01)
Field: Materials Science — Biomaterials

Drug Combination in Polymeric Nanocarriers for Chemotherapy of Cancer: Preclinical Outcomes in the Last Ten Years <b>Background:</b> Combination chemotherapy using nanotechnology-based delivery is a promising approach to improve cancer treatment, but the added value of co-loaded polymeric nanocarriers has not been comprehensively appraised. This review synthesizes preclinical evidence on polymeric systems co-encapsulating antitumor agents. <b>Methods:</b> A narrative literature review identified 33 preclinical studies (2015-2025) employing polymer-based nanocarriers to co-load at least two antitumor drugs. Study characteristics and in vitro and in vivo outcomes were qualitatively analyzed. <b>Results:</b> Most studies addressed breast, lung, or ovarian cancer and used micelles or nanospheres. Co-loaded formulations consistently enhanced in vitro cytotoxicity and, in vivo, produced marked tumor growth inhibition relative to free drugs or single-loaded systems; in several reports, near-complete or complete tumor regression was achieved. Synergy was frequently suggested but not consistently quantified, more than half of the studies did not report a combination index. Most formulations showed favorable tolerability, with few reports including mild hepatic toxicity, renal, or weight-related effects. Beyond conventional drug pairs, examples of co-delivering chemotherapeutics with resistance modulators, gene therapy agents, or targeted ligands illustrated how tailored release profiles and active targeting can potentiate efficacy. Nevertheless, heterogeneity in models, dosing schedules, endpoints, and limited long-term safety data hamper cross-study comparison and translation. <b>Conclusions:</b> Co-loaded polymeric nanocarriers constitute a promising platform to optimize combination chemotherapy, improving preclinical antitumor efficacy with generally limited toxicity, but more standardized and mechanistically driven studies are required to support clinical development. Nanocarriers ; Drug ; In vivo ; Chemotherapy ; Ovarian cancer ; Drug delivery ; Cancer ; Clinical trial Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Cancer Research and Treatment
Authors: Jiin Lee | Hyunji Kim | Sunggi Lee
Source: Chemical Communications (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

Light-driven silane functionalization using disulfide and dichloromethane Organosilicon compounds are of great importance in material and synthetic chemistry. Herein, we disclose a practical and general silane functionalization protocol that enables direct access to silanols and silyl ethers. The process features mild, environmentally benign conditions and enables the transformation of diverse silanes into valuable organosilicon compounds. Surface modification ; Silane ; Dichloromethane ; Silylation ; Disulfide bond Organoboron and organosilicon chemistry ; Synthesis and characterization of novel inorganic/organometallic compounds ; Radical Photochemical Reactions
Authors: Y. WANG | Junliang Chang | Jinghui Liu
Source: Frontiers in Pharmacology (article, 2026-04-10)
Field: Materials Science — Biomaterials

Molecular engineering approaches to half-life extension of therapeutic biomolecules Therapeutic biomolecules are widely used to treat various diseases, but their clinical efficacy is often limited by short in vivo half-lives due to rapid renal filtration, proteolytic degradation, and immune clearance. Short half-life leads to frequent dosing, fluctuation in blood drug concentration, and increased treatment costs, severely limiting clinical efficacy. To address these challenges, various half-life extension strategies have been developed, including chemical conjugation (e.g., PEGylation), physical delivery systems (e.g., microspheres), and genetic/fusion approaches. This review provides a comprehensive narrative analysis of molecular engineering methods, discussing the rational design to directly optimize the drug molecule itself or fuse it with long-acting carriers to significantly extend its circulation time. A systematic comparison of several approaches is presented to guide rational strategy selection. By synthesizing current knowledge and recent advances, this review serves as a practical resource for researchers and drug developers navigating half-life extension technologies. Limiting ; Rational design ; Drug delivery ; Biomolecule ; Drug design ; Extension (predicate logic) ; Drug ; Resource (disambiguation) Nanoparticle-Based Drug Delivery ; Advanced Drug Delivery Systems ; Nanoplatforms for cancer theranostics
Authors: Hiroshige Ogawa | Hugh Nakamura
Source: Beilstein Journal of Organic Chemistry (article, 2026-01-05)
Field: Chemistry — Organic Chemistry

Advances in Zr-mediated radical transformations and applications to total synthesis Radical reactions, which have been reported in large numbers in recent years, have exerted major influence across fields where organic synthesis plays a central role, including pharmaceuticals, agrochemicals, materials chemistry, organic semiconductors, and organic thin-film solar cells. These areas are intimately linked to human life; thus, advances in organic synthesis are essential for improving human well-being. Nearly two centuries after the seminal 1828 synthesis of urea from inorganic precursors - often regarded as the birth of organic synthesis - the field continues to evolve rapidly and to exert profound impact on society. A retrospective of almost 200 years of organic synthesis shows that the development and discovery of two-electron ionic transformations dominated the early stages. Over time, pericyclic reactions exemplified by the Woodward-Hoffmann rules and one-electron radical processes became prominent research topics. Today, many of these classical transformations have been further refined to afford reactions that are cheaper, safer, and less toxic. In this context, we focus on mild radical reactions mediated by zirconium (Zr), which has recently attracted attention because of its low toxicity and ease of handling. We discuss the utility of Zr in such radical processes and consider prospects for future development. Pericyclic reaction ; Organic synthesis ; Total synthesis ; Zirconium ; Radical Radical Photochemical Reactions ; Advanced Synthetic Organic Chemistry ; Catalytic C–H Functionalization Methods
Authors: Chenchen Bao | Yì Wáng | Wenqiang Xia | Ke Yang | Xinchang Shi | Xiaoying Yang | Hui Li | Yuemin Wang | Yafen Zhang
Source: Frontiers in Chemistry (article, 2026-02-06)
Field: Chemistry — Spectroscopy

Absolute quantification of tumor necrosis factor-alpha by isotope dilution mass spectrometry Tumor necrosis factor-α (TNF-α) is an important inflammatory mediator and has been widely recognized as a diagnostic biomarker for various autoimmune and infectious diseases in clinical practice, such as rheumatoid arthritis. In this study, we established an SI-traceable reference method to quantify TNF-α based on liquid chromatography-isotope dilution tandem mass spectrometry (LC-IDMS) with amino acid or peptide analysis. The assays exhibited good linearity (<i>R</i> <sup>2</sup> > 0.999), repeatability (RSD < 3%) and accuracy, which had been verified using certified reference materials (CRMs). Stable isotope-labeled version of three amino acids (valine, phenylalanine, and leucine) and two peptides were used as an internal standard to minimize assay variability. For amino acid analysis, TNF-α could be fully hydrolyzed into amino acids after 60 h at 110 °C. The result based on the amino acid analysis was (0.770 ± 0.033) mg/g, expressed as a mass fraction (mg TNF-α per g of total solution), with an expanded uncertainty (<i>k</i> = 2). For peptide analysis, ANALLANGVELR (AR-12) and VVNLLSAIK (VK-9) were chosen as specific peptides. After 36 h of tryptic proteolysis, TNF-α could be completely proteolyzed into AR-12 and VK-9. Based on characteristic peptide analysis, the result was 0.769 ± 0.046 mg/g (<i>k = 2</i>). There was no significant difference between these two analyses, and the concentration of TNF-α was 0.770 ± 0.057 mg/g (<i>k = 2</i>), which was traceable to the International System of Units. Both methods developed in this study can accurately determine the concentration of TNF-α and are useful for detection kit development and instrument calibration. In addition, application data for reagents certified by these methods in cell apoptosis assays and kit evaluation are provided: TNF-α-induced cell apoptosis was significantly attenuated by antagonists, while detection kits based on three different principles exhibited good repeatability (RSD < 9%) and linearity (<i>R</i> <sup>2</sup> > 0.999). This accurate, SI-traceable method can improve clinical TNF-α assay standardization and biomarker reliability. Isotope dilution ; Peptide ; Amino acid ; Mass spectrometry ; Repeatability ; Tandem mass spectrometry ; Liquid chromatography–mass spectrometry ; Certified reference materials Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Rheumatoid Arthritis Research and Therapies
Authors: Björn Grabbet
Source: ChemRxiv (article, 2026-03-30)
Field: Chemistry — Organic Chemistry

Rho2Wave: TD-DFT Sonification and Chirality Encoding Rho2Wave is a software tool that converts time-dependent density functional theory (TD-DFT) output into stereo audio and synchronized visualizations to support instruction on chirality, electronic excitations, and electronic circular dichroism (ECD). The program parses quantumchemistry output files from Gaussian (.log) and ORCA (.out) and maps excitation energies, oscillator strengths and rotatory strengths to pitch, amplitude and a tunable binaural chirality cue. The resulting sonifications are paired with 2D/3D spectrogram outputs that explicitly separate left and right channels to enable comparison of enantiomeric spectra as an auditory analogue of differential absorption for left- and right-circularly polarized light. The mapping strategy and graphical user interface are described and the approach is demonstrated across five molecular systems: benzene as an achiral baseline, as well as four enantiomeric pairs spanning point chirality (camphor, bromochlorofluoroethane), axial chirality (Kenner’s biphenyl) and helical chirality ([6]helicene). The maximum rotatory strength increases by two orders of magnitude across this series, producing a corresponding progression from moderate to extreme stereo lateralization. Ready-to-use materials, a systematic parameter sensitivity analysis, the extended chirality dataset and the complete mathematical framework are provided. Chirality (physics) ; Enantiomer ; Circular dichroism ; Vibrational circular dichroism ; Excitation ; Gaussian Synthesis and Properties of Aromatic Compounds ; Molecular spectroscopy and chirality ; Origins and Evolution of Life
Authors: Nusrat Tazeen Tonu | Mohammad Yousuf
Source: PLoS ONE (article, 2026-04-08)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Mn-modified phosphomolybdates by hydrothermal route for pseudocapacitor application In this study, hydrothermal method was used to synthesize Mn modified organic-inorganic phosphomolybdates, Product-1 and 2, as considered to be, [Mnx(Imi)y{PMo12O40}], [Mnx(Imi)y{P2Mn2Mo12O50}] with Product-3, which was considered to be mixed by-products, might have [Mnx(Imi)y{P2Mn2Mo12O50(Imi)4Na4(OH)8}(OH)z] (majority) in its structure, (imi = imidazole). Product-1 was the main product, Product-2 and 3 were prepared from the by-product using only heating followed by concentrating technique. All products had high temperature resistance. According to XPS data, the percentages of Mo, Mn, C, O, P, N and Na were 3.91, 23.30, 13.54, 47.83, 7.9, 2.30, and 1.15%, 20.10, 2.39, 22.98, 41.53, 3.53, 6.83, and 2.6%, and 15.51, 1.06, 31.29, 43.56, 1.84, 5.58, and 0.58%, in Product-1, 2 and 3, respectively (by the no. of atoms), along with the average valency states of Mn were 2.26, 2.39, and 2.14, respectively. Product-1 was considered having polyoxo kegging clusters, Product-2 and 3 were considered having polyoxohexamolybdate units in their structures, as well as Product-2 was deliberately assumed to be the polymer or a derivative of Product-3. Cyclic voltammetry (CV) showed all three compounds having different reversible pseudo-capacitor character. At 2.0 Ag-1 current density, Product-1, 2 and 3@GCE showed specific discharge capacitance of 37.01, 380.45, and 635.37 Fg-1, respectively. In galvanostatic charging-discharging (GCD), Product-1@GCE showed comparatively higher retention as compared to other electrodes. Pseudocapacitor ; Hydrothermal circulation ; X-ray photoelectron spectroscopy ; Cyclic voltammetry ; Valency ; Capacitance ; Analytical Chemistry (journal) Supercapacitor Materials and Fabrication ; Phosphorus and nutrient management ; Polyoxometalates: Synthesis and Applications
Authors: Maha Aljowni | Hind Ahmed Siddiq | Rabah N Alsulami | Gadeer R. S. Ashour | Nawaa Ali H. Alshammari | Adel I. Alalawy | Wael M. M. Alamoudi | Hana M. Abumelha
Source: Arabian Journal of Chemistry (article, 2026-03-06)
Field: Chemistry — Organic Chemistry

Synthesis of significant nitroimidazole-triazole-pyridine hybrids and their molecular modeling as antimicrobial agents A series of nitroimidazole-triazole hybrids 7a-d and 10a-d have been synthesized through the Huisgen cycloaddition of 1-(2-azidoacetyl)-2-methyl-5-nitro-1 H -imidazole (3) with 2-((4-propargyloxy)benzylidene)malononitrile (4) or ethyl 2-cyano-3-((4-propargyloxy)phenyl) acrylate (8) , followed by cyclization of imidazole-triazole compounds (5 and 9) with N -aryl cyanoacetamides 6a-d . The DFT calculations for the synthesized nitroimidazole-based hybrids revealed comparable twisted configurations and similar Highest occupied molecular orbitals (HOMO)-lowest unoccupied molecular orbital (LUMO) constructions. Consequently, their energy gap ranged from 2.93 to 3.33 eV, where analogues 7b and 5 exhibited the utmost and least values, respectively. In addition, the antimicrobial effectiveness of the prepared nitroimidazole-based hybrids against Gram(+ve), Gram(-ve), and fungal strains were assessed using MIC and IZ assays. Imidazole-triazole hybrids 7a , 7b , and 10d displayed the highest activity, particularly against S. aureus , B. subtilis , and E. coli (minimum inhibitory concentrations (MIC) = 3.125-6.25 µg.mL -1 ), comparable to the reference antibiotics. However, nitroimidazole-triazole hybrid 9 demonstrated a robust fungicidal effect on C. albicans (MIC = 3.125 µg.mL -1 ), comparable to cycloheximide. The molecular docking study was performed to evaluate interactions of the manufactured series with the target protein (PDB: 1BDD). The hybrids 5 and 10d presented the maximum binding affinities (S = -7.1215 and -7.2123 kcal.mol -1 ). These findings suggest that nitroimidazole-hybrids, particularly 10d and 5 , represented promising scaffolds for further development due to their strong binding affinities and diverse interaction profiles. Furthermore, the Swiss Absorption, distribution, metabolism, and excretion (ADME) study provided an in-depth pharmacokinetic evaluation of the new nitroimidazole hybrids, a robust tool for predicting drug-likeness and bioavailability. Hybrids 5 and 9 exhibited favorable solubility with low molecular weights, while hybrids 7a-d and 10a-d showed moderate solubility but higher molecular weights and increased Lipinski violations. The bioavailability scores showed moderate to low, with nitroimidazole-hybrids 5 and 9 . These pharmacokinetic results offered valuable insights into the drug-likeness and potential therapeutic pertinency of these hybrids. Hybrid ; Molecular model ; Binding affinities ; Antimicrobial ; Cycloaddition ; Molecular orbital ; Affinities ; Docking (animal) Click Chemistry and Applications ; Synthesis and biological activity ; Synthesis of Tetrazole Derivatives