Engineered crystalline polymers for effective contaminant removal from water by Hadiseh Heydari, Heidar Raissi, Afsaneh Ghahari

“…Moreover, the atoms-in-molecules (AIM) analysis identified multiple types of atomic interactions between the contaminant molecules and the substrates. …”
Get full text

Microencapsulation of Ruellia tuberosa L. Aqueous Root Extracts Using Chitosan-Sodium Tripolyphosphate and Their In Vitro Biological Activities by Anna Safitri, Anna Roosdiana, Nia Kurnianingsih, Fatchiyah Fatchiyah, Eldina Mayasari, Rina Rachmawati

Get full text

Structure-guided identification of mitogen-activated protein kinase-1 inhibitors towards anticancer therapeutics. by Md Nayab Sulaimani, Shazia Ahmed, Farah Anjum, Taj Mohammad, Anas Shamsi, Ravins Dohare, Md Imtaiyaz Hassan

“…Finally, selected molecules underwent extensive all-atom molecular dynamics (MD) simulations for a time duration of 200 nanoseconds. …”
Get full text

Formation of nanocomposite structures based on irradiated nanotubes and metal oxides and investigation of their chemical sensitivity by V. E. Roslikov, E. A. Roslikova, Yu. A. Stenkin, S. N. Povoroznyuk

“…The study of electrophysical and gas sensitive properties shows that the resulting test composite structures have a higher sensitivity to the molecules of gases NO2 and H2 S at room temperature than the layers of MWCNs not modified by metal oxides.…”
Get full text

Traitement des déchets et santé environnementale : la science, un facteur d’acceptabilité locale ? L’exemple de l’incinérateur à Fos-sur-Mer by Isabelle Hajek

“…The evolution of waste composition and blends of molecules generated by waste processing techniques start raising a new ecological health issue linked to their local environment. …”
Get full text

Gas sensitivity of individual nanostructures based on functionalized multi-walled carbon nanotubes and metal oxides by N. A. Davletkildeev, D. V. Sokolov, V. V. Bolotov

“…It is shown that the change in conductivity of the composite nanostructures to the correlates with the Fermi level shift under gases exposure as a result of charge carriers concentration changing in the metal oxide surface layers upon adsorption of gas molecules.…”
Get full text

Direct and Indirect Drug Design Approaches for the Development of Novel Tricyclic Antipsychotics: Potential 5-HT2A Antagonist by Mahantesh Namdev Jadhav, Ganesh Rajendra Kokil, Shilpa Sudhakar Harak, Sanjay Baburao Wagh

“…Development of novel hybrid atypical tricyclic antipsychotic pharmacophore was achieved using direct (by measuring docking score of designed molecules on modelled 5- receptor) and indirect (current, clinically available therapeutic agents’ data) drug design approaches.…”
Get full text

Mesoporous Silicon Microparticles Enhance MHC Class I Cross-Antigen Presentation by Human Dendritic Cells by A. Jiménez-Periáñez, B. Abos Gracia, J. López Relaño, C. M. Diez-Rivero, P. A. Reche, E. Martínez-Naves, E. Matveyeva, M. Gómez del Moral

“…The mesoporous silicon microparticles (MSMPs) are excellent vehicles for releasing molecules inside the cell. The aim of this work was to use MSMPs to deliver viral specific MHC class I restricted epitopes into human antigen presenting cells (monocyte derived dendritic cells, MDDCs) to facilitate their capture, processing, and presentation to CD8+ (cytotoxic) T lymphocytes. …”
Get full text

Adsorption of Aromatic Compounds by Activated Carbon: Effects of Functional Groups and Molecular Size by Sirous Nouri, Fouad Haghseresht, Max Lu

“…It was shown that the difference in the maximum adsorption of the solutes was mainly a result of the difference in the sizes of the molecules and their functional groups. Furthermore, it was illustrated that the packing arrangement was most likely edge-to-face (sorbate–sorbent) with various tilt angles. …”
Get full text

Molecular Targets for the Treatment of Juvenile Myelomonocytic Leukemia by Xiaoling Liu, Himalee Sabnis, Kevin D. Bunting, Cheng-Kui Qu

“…Various approaches are being investigated to target defective pathways/molecules in this disease. However, effective therapy is still lacking. …”
Get full text

An Efficient and Recycling Catalyst for the One-Pot Three-Component Synthesis of Substituted 3,4-Dihydropyrimidin-2(1H)-ones by Taoues Boumoud, Boudjemaa Boumoud, Salah Rhouati, Ali Belfaitah, Abdelmadjid Debache, Paul Mosset

“…The reaction was carried out in refluxing acetonitrile and afforded the target molecules in good to excellent yields. The method offers several advantages including high yields of the products, short reaction times and easy experimental workup procedure…”
Get full text

Challenges and applications of artificial intelligence in infectious diseases and antimicrobial resistance by Angela Cesaro, Samuel C. Hoffman, Payel Das, Cesar de la Fuente-Nunez

“…These tools improve antibiotic stewardship and identify effective compounds such as antimicrobial peptides and small molecules. This review explores AI applications in diagnostics, therapy, and drug discovery, emphasizing both strengths and areas needing improvement.…”
Get full text

Simulating Marine New Particle Formation and Growth Using the M7 Modal Aerosol Dynamics Modal by Ciaran Monahan, Henri Vuollekoski, Markku Kulmala, Colin O'Dowd

“…Peak OIO and H2SO4 vapour concentrations were both limited to 6×106 molecules cm-3 at noontime while the peak organic vapour concentration was limited to 12×106 molecules cm-3. …”
Get full text

Marburg virus VP35 can both fully coat the backbone and cap the ends of dsRNA for interferon antagonism. by Shridhar Bale, Jean-Philippe Julien, Zachary A Bornholdt, Christopher R Kimberlin, Peter Halfmann, Michelle A Zandonatti, John Kunert, Gerard J A Kroon, Yoshihiro Kawaoka, Ian J MacRae, Ian A Wilson, Erica Ollmann Saphire

“…In the crystal structure, molecules of dsRNA stack end-to-end to form a pseudo-continuous oligonucleotide. …”
Get full text

Sustainable Downstream Separation of Itaconic Acid Using Carbon-Based Adsorbents by Alejandra Ortíz-de-Lira, Hilda Elizabeth Reynel-Ávila, Lizbeth Liliana Díaz-Muñoz, Didilia Ileana Mendoza-Castillo, Tejraj M. Aminabhavi, Michael Badawi, Adrián Bonilla-Petriciolet

“…Results of adsorbent characterization analysis indicated the presence of a crystallization of itaconic acid molecules onto the activated carbon surface where 3–4 molecules could interact to form the clusters. …”
Get full text

HDN-DDI: a novel framework for predicting drug-drug interactions using hierarchical molecular graphs and enhanced dual-view representation learning by Jinchen Sun, Haoran Zheng

“…HDN-DDI integrates an explainable substructure extraction module to decompose drug molecules and represents them using innovative hierarchical molecular graphs, which effectively incorporates information from real chemical substructures and improves molecules encoding efficiency. …”
Get full text

Region-Dependent Alterations in Cognitive Function and ERK1/2 Signaling in the PFC in Rats after Social Defeat Stress by Qiong Wang, Feng Shao, Weiwen Wang

“…Further analysis showed that behavioral changes were differentially correlated with several molecules in subregions of the PFC. These results suggested that social defeat stress was an effective animal model to induce both emotional and cognitive symptoms of depression and that the dysfunction of ERK signaling activities in the PFC might be a potential underlying biological mechanism.…”
Get full text

Investigation the CMP process of 6 H-SiC in H2O2 solution with ReaxFF molecular dynamics simulation by Yanzhang Gu, Kaiping Feng, Lanxing Xu, Liang Zhao, Tianchen Zhao, Binghai Lyu

“…This study examined the reactants on the surface of 6 H-SiC during the reaction in the H2O2 solution, along with the dissociation and adsorption processes of H2O2 and water molecules. The mechanisms for atom removal during the CMP process were elucidated. …”
Get full text

The Multiple Effects of Precursors on the Properties of Polymeric Carbon Nitride by Wendong Zhang, Qin Zhang, Fan Dong, Zaiwang Zhao

Get full text

Magnetoresistance Effect in NiFe/BP/NiFe Vertical Spin Valve Devices by Leilei Xu, Jiafeng Feng, Kangkang Zhao, Weiming Lv, Xiufeng Han, Zhongyuan Liu, Xiaohong Xu, He Huang, Zhongming Zeng

Get full text