Results 131 to 140 of about 1,051,029 (290)

Explaining reaction mechanisms using the dual descriptor: a complementary tool to the molecular electrostatic potential

Journal of Molecular Modeling, 2012
The intrinsic reactivity of cyanide when interacting with a silver cation was rationalized using the dual descriptor (DD) as a complement to the molecular electrostatic potential (MEP) in order to predict interactions at the local level. It was found that DD accurately explains covalent interactions that cannot be explained by MEP, which focuses on ...
openaire   +4 more sources

Similarity Degree Descriptor for Screening the Hydrogen Evolution Reaction of Dual Atom Catalysts on N-Doped Grazyne Support

Constructing highly efficient, stable, and cost-effective electrocatalysts for the hydrogen evolution reaction (HER) is essential for sustainable energy development, yet remains challenging due to the difficulty of replacing platinum (Pt), the benchmark ...
Francesc Viñes, Cong Wang, Pablo GAMALLO   +2 more
core   +1 more source

Model of Care for People with Mental Disorder and Co-existing Substance Use Disorder (Dual Diagnosis)

, 2023
This Model of Care has been developed in partnership with HSE Social Inclusion, HSE Health and Wellbeing and the National Office of Suicide Prevention and in collaboration with voluntary bodies including Sec.39 agencies.
National Working Group for Dual Diagnosis
core  

Inhibition of cyclin‐dependent kinases 12/13 using CT7439 as a treatment for colorectal cancer with CDK12 upregulation

Molecular Oncology, EarlyView.
The proposed mechanism of action for the CDK12/13 inhibitor and cyclin K degrader, CT7439. CDK12/13 inhibition interrupts transcription elongation, leading to increased DNA damage that results in cell death. This agent is a potentially novel treatment option for patients with colorectal cancer. Created in BioRender. Cyclin‐dependent kinase (CDK) 12 and
Wylie K. Watlington, Divya L. Dayanidhi, Mohammad Zokaasadi, John B. Mantyh, Pelumi D. Olawuni, Gabrielle Rupprecht, Jeremy M. Force, Shannon McCall, Ashwani K. Bahl, David S. Hsu, Jason A. Somarelli   +10 more
wiley   +1 more source

Stacked ensemble learning and in-silico profiling reveal dual DPP-IV and SGLT2 inhibitors from Moringa oleifera metabolites

Scientific Reports
Diabetes mellitus (DM) is a growing global health challenge, particularly in low-resource settings where access to effective therapies remains limited. Dual inhibition of dipeptidyl peptidase IV (DPP-IV) and sodium–glucose co-transporter 2 (SGLT2) offers
M. K. Letuku, M. G. Mohlala, P. Appiah-Kubi, A. Singh, Y. B. Nuapia   +4 more
doaj   +1 more source

Circulating microRNA signatures of cachexia and cancer in Canis familiaris as a comparative oncology model for human disease

Molecular Oncology, EarlyView.
Circulating microRNAs as biomarkers of cachexia and sex‐specific cancer in senior dogs. In 25 client‐owned dogs, four circulating miRNAs (miR‐15a, miR‐15b, miR‐16, miR‐140) were downregulated in cachexia, with miR‐16 the strongest individual biomarker (AUC = 0.899).
Soon‐Seok Park, Kyongman An, Gyeonghwa Kim, Soo‐Nyun Choi, Hong‐Ki Lee, Keun Hur, Kyu‐Shik Jeong   +6 more
wiley   +1 more source

Computation of H-infinity norm of linear discrete-time periodic systems [PDF]

, 2006
We propose an efficient an numerically reliable procedure for the computation of H-infinity norm of discrete-time linear periodic systems. The new procedure is general being applicable to both standard as well as descriptor periodic systems with time ...
Varga, Andreas
core  

Cancer‐associated mutations in endometriosis reframe a benign disease through molecular oncology

Molecular Oncology, EarlyView.
This review aims to comprehensively analyse cancer‐associated somatic mutations (CAMs) present in endometriotic lesions, emphasizing their biological roles, spatial distribution and implications for translational applications in medicine. By contextualizing a benign state within a genomic framework, this analysis seeks to establish its value as a ...
Clarissa Mujacic, Maria Concetta Vitale, Rita Siino, Emilia Di Giovanni, Carla Ferrante Bannera, Enrico Di Marco, Andrea Gottardo, Tancredi Didier Bazan Russo, Nadia Barraco, Alessandro Perez, Valerio Gristina, Antonio Galvano, Giuseppe Badalamenti, Antonio Russo, Viviana Bazan, Lorena Incorvaia   +15 more
wiley   +1 more source

Synthesis and Characterization of a New Hydrogen-Bond-Stabilized 1,10-Phenanthroline–Phenol Schiff Base: Integrated Spectroscopic, Electrochemical, Theoretical Studies, and Antimicrobial Evaluation

Chemistry
A new Schiff base, (E)-2-(((1,10-phenanthrolin-5-yl)imino)methyl)-4,6-di-tert-butylphenol (Fen-IHB), was designed to incorporate an intramolecular hydrogen bond (IHB) between the phenolic OH and the azomethine nitrogen with the goal of modulating its ...
Alexander Carreño, Evys Ancede-Gallardo, Ana G. Suárez, Marjorie Cepeda-Plaza, Mario Duque-Noreña, Roxana Arce, Manuel Gacitúa, Roberto Lavín, Osvaldo Inostroza, Fernando Gil, Ignacio Fuentes, Juan A. Fuentes   +11 more
doaj   +1 more source

Mechanisms and therapeutic opportunities of the ribotoxic stress response in cancer

Molecular Oncology, EarlyView.
Cancer cells' high translational demand creates opportunities to therapeutically target ribosome function. Ribosome stalling and collisions activate ZAKα and the ribotoxic stress response (RSR), which can trigger rapid, p53‐independent apoptosis in cancer.
Anastassiya Kim, Maryam Aslam, Elouise Torruella, Alphons Sony, Asif Rahman, Simira Smith, Columba de la Parra, Moira Sauane   +7 more
wiley   +1 more source