Theoretical Study of Antioxidant and Prooxidant Potency of Protocatechuic Aldehyde.

In this study, the antioxidant and prooxidant potency of protocatechuic aldehyde (PCA) was evaluated using density functional theory (DFT). The potency of direct scavenging of hydroperoxyl (HOO) and lipid peroxyl radicals (modeled by vinyl peroxyl, HC=CHOO) involved in lipid peroxidation was estimated. The repair of oxidative damage in biomolecules (lipids, proteins and nucleic acids) and the prooxidant ability of PCA phenoxyl radicals were considered.

Near-Infrared Responsive Composites of Poly-3,4-Ethylenedioxythiophene with Fullerene Derivatives.

Electrochemical polymerization of 3,4-ethylenedioxythiophene in the presence of water-soluble fullerene derivatives was investigated. The electronic structure, morphology, spectroelectrochemical, electrochemical properties and near-IR photoconductivity of composite films of poly(3,4-ethylenedioxythiophene) with fullerenes were studied for the first time. It was shown that fullerene with hydroxyl groups creates favorable conditions for the formation of PEDOT chains and more effectively compensates for the positive charges on the PEDOT chains.

Amphiphilic Molecules, Interfaces and Colloids.

Colloids, such as emulsions, foams, sols and gels, play integral roles in living organisms, the natural environment, resource extraction, pharmaceuticals, cleaning products, processing industries and almost all aspects of our everyday lives [...

A multiplexing immunosensing platform for the simultaneous detection of snake and scorpion venoms: Towards a better management of antidote administration.

Envenomation accidents are usually diagnosed at the hospital through signs and symptoms assessment such as short breath, dizziness and vomiting, numbness, swilling, bruising, or bleeding around the affected site. However, this traditional method provides inaccurate diagnosis given the interface between snakebites and scorpion stings symptoms. Therefore, early determination of bites/stings source would help healthcare professionals select the suitable treatment for patients, thus improving envenomation management.

Green Light Activated Dual-Action Pt(IV) Prodrug With Enhanced PDT activity.

Light induced release of cisplatin from Pt(IV) prodrugs is a promising tool for precise spatiotemporal control over the antiproliferative activity of Pt-based chemotherapeutic drugs. A combination of light-controlled chemotherapy (PACT) and photodynamic therapy (PDT) in one molecule has the potential to overcome crucial drawbacks of both Pt-based chemotherapy and PDT via a synergetic effect. Herein we report green-light-activated Pt(IV) prodrug GreenPt with BODIPY-based photosentitizer in the axial position with an incredible high light response and singlet oxygen generation ability.

Destabilization of Glycosyl Cation by an Electron-Withdrawing Substituent at C-5 Makes Sialylation Reaction More α-Stereoselective.

Comparison of the reactivity of sialyl chlorides and bromides based on -acetylneuraminic acid (Neu5Ac) and its deaminated analogue (KDN) in reactions with MeOH and -PrOH without a promoter revealed that the acetoxy group at C-5 in a molecule of a sialic acid glycosyl donor can destabilize the corresponding glycosyl cation making the S1-like reaction pathway unfavorable. A change to the S2-like reaction pathway ensures preferential formation of the α-glycoside.

Towards a long-term stable MAPbBr single crystal-based photoconductor with a high on/off ratio and detectivity.

Photodetectors based on lead halide perovskites often show excellent performance but poor stability. Herein, we demonstrate a photodetector based on MAPbBr single crystals passivated with an ultrathin layer of PbSO, which shows superior detectivity and on/off ratios compared to the control device due to the combined effect of lower surface traps, reduced recombination and low dark current. In addition, the device retained ∼56% of its initial * with an impressive on/off ratio of ∼801 after one year compared to ∼22% of * and an on/off ratio of ∼6 of the control device.

Correction: Radical ligand transfer: mechanism and reactivity governed by three-component thermodynamics.

[This corrects the article DOI: 10.1039/D4SC01507J.].

Photocatalytic Oxygen Evolution with Prussain Blue Coated ZnO Origami Core-Shell Nanostructures.

The design and development of particulate photocatalysts has been an attractive strategy to incorporate earth-abundant metal ions to water splitting devices. Herein, we synthesized CoFe-Prussian blue (PB) coated ZnO origami core-shell nanostructures (PB@ZnO) with different mass ratio of PB components and investigated their photocatalytic water oxidation activities in the presence of an electron scavenger. Photocatalytic experiments reveal that the integration of PB on ZnO boosts the oxygen evolution rate by a factor of ~2.

Water-soluble platinum and palladium porphyrins with peripheral ethyl phosphonic acid substituents: synthesis, aggregation in solution, and photocatalytic properties.

Water-soluble porphyrins have garnered significant attention due to their broad range of applications in biomedicine, catalysis, and material chemistry. In this work, water-soluble platinum(II) and palladium(II) complexes with porphyrins bearing ethyl phosphonate substituents, namely, Pt/Pd 10-(ethoxyhydroxyphosphoryl)-5,15-di(-carboxyphenyl)porphyrins (M3m, M = Pt(II), Pd(II)) and Pt/Pd 5,10-bis(ethoxyhydroxyphosphoryl)-10,20-diarylporphyrins (M1d-M3d; aryl = -tolyl (1), mesityl (2), -carboxyphenyl (3)), were synthesized by alkaline hydrolysis of the corresponding diethyl phosphonates M6m and M4d-M6d. NMR, UV-vis, and fluorescence spectroscopy revealed that the mono-phosphonates M3m tend to form aggregates in aqueous media, while the bis-phosphonates M3d exist predominantly as monomeric species across a wide range of concentrations (10-10 M), ionic strengths (0-0.

LEGO-Lipophosphonoxin membrane activity is enhanced by presence of phosphatidylethanolamine but hindered by outer membrane.

Finding effective antibiotics against multi-resistant strains of bacteria has been a challenging race. Linker-Evolved-Group-Optimized-Lipophosphonoxins (LEGO-LPPOs) are small modular synthetic antibacterial compounds targeting the cytoplasmic membrane. Here we focused on understanding the reasons for the variable efficacy of selected LEGO-LPPOs (LEGO-1, LEGO-2, LEGO-3, and LEGO-4) differing in hydrophobic and linker module structure and length.

Qualitative comparison of decalcifiers for mouse bone cryosections for subsequent biophotonic analysis.

Bone tissue, with its complex structure, often necessitates decalcification of the hard tissue for ex vivo morphological studies. The choice of a suitable decalcification method plays a crucial role in preserving desired features and ensuring compatibility with diverse imaging techniques. The search for a universal decalcification method that is suitable for a range of biophotonic analyses remains an ongoing challenge.

Role of the stratosphere in the global mercury cycle.

Mercury (Hg) is a global pollutant with substantial risks to human and ecosystem health. By upward transport in tropical regions, mercury enters into the stratosphere, but the contribution of the stratosphere to global mercury dispersion and deposition remains unknown. We find that between 5 and 50% (passing through the 400-kelvin isentropic surface and tropopause, respectively) of the mercury mass deposited on Earth's surface is chemically processed in the lower stratosphere.

Temperature Areas of Local Inelasticity in Polyoxymethylene.

The spectra of internal friction and temperature dependencies of the frequency of a free-damped oscillation process excited in the specimens of an amorphous-crystalline copolymer of polyoxymethylene with the co-monomer trioxane (POM-C) with a degree of crystallinity ~60% in the temperature range from -150 °C to +170 °C has been studied. It has been established that the spectra of internal friction show five local dissipative processes of varying intensity, manifested in different temperature ranges of the spectrum. An anomalous decrease in the frequency of the oscillatory process was detected in the temperature ranges where the most intense dissipative losses appear on the spectrum of internal friction.

Relaxation Phenomena in Low-Density and High-Density Polyethylene.

A study was conducted on the internal friction spectra and temperature dependencies of the frequency of free damped oscillatory processes excited in the investigated samples of low-density polyethylene (LDPE) and high-density polyethylene (HDPE) over a temperature range from -150 °C to +150 °C. It was found that the internal friction spectra exhibit several local dissipative processes of varying intensity, which manifest in different temperature intervals. The structure of the internal friction spectra and the peaks of dissipative losses are complex, as evidenced by the occurrence of sharp, locally temperature-dependent jumps in the intensity of dissipative losses observed throughout the entire temperature range.

Lighting the Path: Raman Spectroscopy's Journey Through the Microbial Maze.

The rapid and precise identification of microorganisms is essential in environmental science, pharmaceuticals, food safety, and medical diagnostics. Raman spectroscopy, valued for its ability to provide detailed chemical and structural information, has gained significant traction in these fields, especially with the adoption of various excitation wavelengths and tailored optical setups. The choice of wavelength and setup in Raman spectroscopy is influenced by factors such as applicability, cost, and whether bulk or single-cell analysis is performed, each impacting sensitivity and specificity in bacterial detection.

Adaptive Laboratory Evolution of Flavin Functionality Identifies Dihydrolipoyl Dehydrogenase as One of the Critical Points for the Activity of 7,8-Didemethyl-Riboflavin as a Surrogate for Riboflavin in .

Riboflavin analogs lacking one methyl group (7α or 8α) can still serve as a surrogate for riboflavin in riboflavin-deficient microorganisms or animals. The absence of both methyl groups at once completely abolishes this substitution capability. To elucidate the molecular mechanisms behind this phenomenon, we performed an adaptive laboratory evolution experiment (in triplicate) on an strain auxotrophic for riboflavin.

Scaling of Rotational Constants.

This manuscript introduces the concept of scaling factors for rotational constants. These factors are designed to bring computed equilibrium rotational constants closer to experimentally fitted ground-state-averaged rotational constants. The parameterization of the scaling factors was performed for several levels of theory, namely DF-D/def2-VP (DF=B3LYP,PBE0, n=3(BJ),4, m=S,TZ), PBEh-3c, and r⁢2SCAN-3c.

Boosting Lipofection Efficiency Through Enhanced Membrane Fusion Mechanisms.

Gene transfection is a fundamental technique in the fields of biological research and therapeutic innovation. Due to their biocompatibility and membrane-mimetic properties, lipid vectors serve as essential tools in transfection. The successful delivery of genetic material into the cytoplasm is contingent upon the fusion of the vector and cellular membranes, which enables hydrophilic polynucleic acids to traverse the hydrophobic barriers of two intervening membranes.

Colon Tumor Discrimination Combining Independent Endoscopic Probe-Based Raman Spectroscopy and Optical Coherence Tomography Modalities with Bayes Rule.

Colorectal cancer is one of the most prevalent forms of cancer globally. The most common routine diagnostic methods are the examination of the interior of the colon during colonoscopy or sigmoidoscopy, which frequently includes the removal of a biopsy sample. Optical methods, such as Raman spectroscopy (RS) and optical coherence tomography (OCT), can help to improve diagnostics and reduce the number of unnecessary biopsies.

Tracking Multidrug Resistance in Gram-Negative Bacteria in Alexandria, Egypt (2020-2023): An Integrated Analysis of Patient Data and Diagnostic Tools.

Background: The rise in carbapenem-resistant (CRE) in Egypt, particularly in hospital settings, poses a significant public health challenge. This study aims to develop a combined epidemiological surveillance tool utilizing the Microreact online platform (version 269) and molecular microarray technology to track and analyze carbapenem-resistant strains in Egypt. The objective is to integrate molecular diagnostics and real-time data visualization to better understand the spread and evolution of multidrug-resistant (MDR) bacteria.

Gramicidin A in Asymmetric Lipid Membranes.

Gramicidin A is a natural antimicrobial peptide produced by . Its transmembrane dimer is a cation-selective ion channel. The channel is characterized by the average lifetime of the conducting state and the monomer-dimer equilibrium constant.

Microbial Corrosion of Copper Under Conditions Simulating Deep Radioactive Waste Disposal.

This paper presents the results of microbial corrosion tests on M0-grade copper under conditions simulating a geological repository for radioactive waste at the Yeniseisky site (Krasnoyarsk Krai, Russia). The work used a microbial community sampled from a depth of 450 m and stimulated with glucose, hydrogen and sulfate under anaerobic conditions. It was shown that the maximum corrosion rate, reaching 9.

Continuum elasticity and molecular dynamics of a pore in archaeal bolalipid membranes.

are famous for their ability to survive in extremely harsh environments, probably due to the unprecedented stability of their lipid membranes. Key features of archaeal lipids (bolalipids) that confer their stability are methyl side groups and cyclopentanes in the alkyl chains, as well as the specific shape of the molecule, which has two headgroups connected by two tails. However, the contribution of each structural parameter to membrane stability and the underlying physical mechanism remain unknown.