Examining the PM6 semiempirical method for pKa prediction across a wide range of oxyacids [PDF]
, 2009 The pK~a~ estimation ability of the semiempirical PM6 method was evaluated across a broad range of oxyacids and compared to results obtained using the SPARC software program.
Kaya Forest +2 more
core +1 more source
Catechol Derivative‐Based Bioadhesives: Molecular Design for Precision Medical Adhesion
Advanced Science, EarlyView.This study utilizes tree‐inspired side‐chain engineering to graft five catechol derivatives onto PVA, systematically revealing how side‐chain length and substituents regulate adhesion and cohesion properties. Among them, the PVA‐CA patch demonstrates superior tissue adhesion, biocompatibility, and promotes regeneration, establishing a programmable ...
Xueyu Wang +8 more
wiley +1 more source
Steroidal Oximes and Cervical Cancer: An In Silico Mechanistic Pathway Approach
Scientia PharmaceuticaCervical cancer affects 661,000 women worldwide; as a result, new treatment alternatives are still being sought, with steroid oximes being the most prominent.
Carlos Antonio Sánchez-Valdeolivar +4 more
doaj +1 more source
Glucose-derived spiro-isoxazolines are anti-hyperglycemic agents against type 2 diabetes through glycogen phosphorylase inhibition [PDF]
, 2016 International audienceGlycogen phosphorylase (GP) is a target for the treatment of hyperglycaemia in the context of type 2 diabetes. This enzyme is responsible for the depolymerization of glycogen into glucose thereby affecting the levels of glucose in ...
Azay-Milhau, Jacqueline +16 more
core +2 more sources
Toward Complete CO2 Electroconversion: Status, Challenges, and Perspectives
Advanced Energy Materials, EarlyView.Electrocatalytic CO2 reduction and CO2 batteries face challenges in achieving complete CO2 conversion with high conversion rates and Faradaic efficiency simultaneously. Existing systems compromise one for the other with incomplete CO2 conversion and inefficiencies, hindering practical applications. This perspective highlights state‐of‐the‐art progress,
Changfan Xu +5 more
wiley +1 more source
Self injection of Dichlorvos, an Organophosphorus Compound [PDF]
, 2008 We report two patients who injected themselves a strong organophosphate compound, dichlorvas, and showed the typical clinical picture of organophosphate intoxication. There are very few case reports of parenteral organophosphorous poisoning.
DM, Mahesh +4 more
core +1 more source
Orthogonal, metal-free surface modification by strain-promoted azide–alkyne and nitrile oxide–alkene/alkyne cycloadditions [PDF]
, 2012 In this article we present a fast and efficient methodology for biochemical surface patterning under extremely mild conditions. Micropatterned azide/benzaldoxime-surfaces were prepared by microcontact printing of a heterobifunctional cyclooctyne oxime ...
Arlinghaus, Heinrich F +6 more
core +1 more source
Development of Simplified Heterocyclic Acetogenin Analogues as Potent and Selective Trypanosoma brucei Inhibitors [PDF]
, 2016 This work was funded by the Leverhulme Trust (GJF), and the Wellcome Trust (TKS, WT 093228).Neglected tropical diseases caused by parasitic infections are an on-going and increasing concern and burden to human and animal health, having the most ...
Alali +28 more
core +2 more sources
Erythromycin a oxime 11,12-carbonate and its oxime ethers.
The Journal of Antibiotics, 1989 Erythromycin A oxime 11,12-carbonate (5a) and its oxime ethers 5b approximately 5p have been prepared and their antibacterial activities compared with those of erythromycin A (1) and its 11,12-carbonate 2. The oxime 5a and many of its oxime ether derivatives showed good activity in vitro against Gram-positive and the more permeable Gram-negative ...
E G, Brain +4 more
openaire +3 more sources
A cationic and ferromagnetic hexametallic Mn(III) single-molecule magnet based on the salicylamidoxime ligand [PDF]
, 2013 The salicylamidoxime-based complex [Mn-6(mu(3)-O)(2)(N-H2-sao)(6)(py)(6)(EtOH)(2)](ClO4)(2)center dot 4EtOH (1.4EtOH) constitutes the first example of a cationic and ferromagnetic member of the oxime-based family of [Mn-6(III)] single-molecule magnets.
An +32 more
core +1 more source