Prediction of Chameleonic Efficiency

Chameleonic properties, i. e., the capacity of a molecule to hide polarity in non-polar environments and expose it in water, help achieving sufficient permeability and solubility for drug molecules with high MW. We present models of experimental measures of polarity for a set of 24 FDA approved drugs (MW 405-1113) and one PROTAC (MW 1034). Conformational ensembles in aqueous and non-polar environments were generated using molecular dynamics. A linear regression model that predicts chromatographic apparent polarity (EPSA) with a mean unsigned error of 10 Ų was derived based on separate terms for donor, acceptor, and total molecular SASA. A good correlation (R²=0.92) with an experimental measure of hydrogen bond donor potential, Δlog P_oct-tol, was found for the mean hydrogen bond donor SASA of the conformational ensemble scaled with Abraham's A hydrogen bond acidity. Two quantitative measures of chameleonic behaviour, the chameleonic efficiency indices, are introduced. We envision that the methods presented herein will be useful to triage designed molecules and prioritize those with the best chance of achieving acceptable permeability and solubility.     

Agronomic performance of high oleic,low linolenic soybean in Tennessee

Soybean oil hydrogenation alters the linolenic acid molecule to prevent the oil from becoming rancid, however, health reports have indicated trans-fat caused by hydrogenation, is not generally regarded as safe. Typical soybeans contain approximately 80 g kg⁻¹ to 120 g kg⁻¹ linolenic acid and 240 g kg⁻¹ of oleic acid. In an effort to accommodate the need for high-quality oil, the United Soybean Board introduced an industry standard for a high oleic acid greater than 750 g kg⁻¹ and linolenic acid less than 30 g kg⁻¹ oil. By combing mutations in the soybean plant at four loci, FAD2-1A and FAD2-1B, oleate desaturase genes and FAD3A and FAD3C, linoleate desaturase genes, and seed oil will not require hydrogenation to prevent oxidation and produce high-quality oil. In 2017 and 2018, a study comparing four near-isogenic lines across multiple Tennessee locations was performed to identify agronomic traits associated with mutations in FAD3A and FAD3C loci, while holding FAD2-1A and FAD2-1B constant in the mutant (high oleic) state. Soybean lines were assessed for yield and oil quality based on mutations at FAD2-1 and FAD3 loci. Variations of wild-type and mutant genotypes were compared at FAD3A and FAD3C loci. Analysis using a generalized linear mixed model in SAS 9.4, indicated no yield drag or other negative agronomic traits associated with the high oleic and low linolenic acid genotype. All four mutations of fad2-1A, fad2-1B, fad3A, and fad3C were determined as necessary to produce a soybean with the new industry standard (>750 g kg⁻¹ oleic and <30 g kg⁻¹ linolenic acid) in a maturity group-IV-Late cultivar for Tennessee growers.     

The Interfacial Interactions of Glycine and Short Glycine Peptides in Model Membrane Systems

The interactions of amino acids and peptides at model membrane interfaces have considerable implications for biological functions, with the ability to act as chemical messengers, hormones, neurotransmitters, and even as antibiotics and anticancer agents. In this study, glycine and the short glycine peptides diglycine, triglycine, and tetraglycine are studied with regards to their interactions at the model membrane interface of Aerosol-OT (AOT) reverse micelles via ¹H NMR spectroscopy, dynamic light scattering (DLS), and Langmuir trough measurements. It was found that with the exception of monomeric glycine, the peptides prefer to associate between the interface and bulk water pool of the reverse micelle. Monomeric glycine, however, resides with the N-terminus in the ordered interstitial water (stern layer) and the C-terminus located in the bulk water pool of the reverse micelle.     

Improving through-thickness conductivity of carbon fiber reinforced polymer using carbon nanotube/polyethylenimine at the interlaminar region

The through-thickness conductivity of carbon fiber reinforced polymer (CFRP) composite was increased by incorporating multiwalled carbon nanotubes in the interlaminar region. Carbon nanotubes (CNTs) were dispersed in a polyethylenimine (PEI) binder, which was then coated onto the carbon fiber fabric. Standard vacuum-assisted resin infusion process was applied to fabricate the composite laminates. This modification technique aims to enhance the electrical conductivity in through-thickness direction for the purpose of nondestructive testing, damage detection, and electromagnetic interference shielding. CNT concentrations ranging from 0 to 0.75 wt% were used and compared to pristine CFRP samples (reference). The through-thickness conductivity of the CFRP exhibited an improvement of up to 781% by adopting this technique. However, the dispersion of CNT in PEI led to a viscosity increase and poor wetting properties which resulted in the formation of voids/defects, poor adhesion (as shown in scanning electron micrographs) and the deterioration of the mechanical properties as manifested by interlaminar shear strength and dynamic mechanical analysis measurements.     

Development of a difunctional oxirane and multifunctional acrylate interpenetrating polymer network composite system with antimicrobial properties

This research continued the development of a difunctional Oxirane and multifunctional Acrylate interpenetrating polymer network composite System (OASys) with antimicrobial properties. The effects of 4-Isopropyl-4′-methyldiphenyliodonium tetrakis (pentafluorophenyl) borate (Borate), hexamethylene diamine (HMDA) and N,N-dimethyl p-toluidine (DMPT) on OASys (Epalloy 5001:dipentaerythritol hexaacrylate) composite hardness, contact angle, monomer-to-polymer degree of conversion (DoC), mechanical properties, polymerization shrinkage, shrinkage stress, and antimicrobial properties were determined. Bis-GMA:TEGDMA composites were used as the control. OASys composites with 9 wt% Borate and 0.5 wt% DMPT or 1.5 wt% HMDA had comparable hardness, DoC's and polymerization shrinkages to controls, but had lower contact angles and mechanical properties. Additionally, OASys composites with 1.5 wt% HMDA had significantly less polymerization stress than controls and demonstrated significant antibacterial activity against Streptococcus mutans and Lactobacillus casei out to 3 months. With lower shrinkage stress and long-term antimicrobial activity, OASys composites look promising for increasing the clinical lifetime of dental composites, but improvements in mechanical properties are needed.     

Functional Coupling of Slack Channels and P2X3 Receptors Contributes to Neuropathic Pain Processing

The sodium-activated potassium channel Slack (K_Na1.1, Slo2.2, or Kcnt1) is highly expressed in populations of sensory neurons, where it mediates the sodium-activated potassium current (I_KNa) and modulates neuronal activity. Previous studies suggest that Slack is involved in the processing of neuropathic pain. However, mechanisms underlying the regulation of Slack activity in this context are poorly understood. Using whole-cell patch-clamp recordings we found that Slack-mediated I_KNa in sensory neurons of mice is reduced after peripheral nerve injury, thereby contributing to neuropathic pain hypersensitivity. Interestingly, Slack is closely associated with ATP-sensitive P2X3 receptors in a population of sensory neurons. In vitro experiments revealed that Slack-mediated I_KNa may be bidirectionally modulated in response to P2X3 activation. Moreover, mice lacking Slack show altered nocifensive responses to P2X3 stimulation. Our study identifies P2X3/Slack signaling as a mechanism contributing to hypersensitivity after peripheral nerve injury and proposes a potential novel strategy for treatment of neuropathic pain.     

Single Cell Bioprinting with Ultrashort Laser Pulses

Tissue engineering requires the precise positioning of mammalian cells and biomaterials on substrate surfaces or in preprocessed scaffolds. Although the development of 2D and 3D bioprinting technologies has made substantial progress in recent years, precise, cell-friendly, easy to use, and fast technologies for selecting and positioning mammalian cells with single cell precision are still in need. A new laser-based bioprinting approach is therefore presented, which allows the selection of individual cells from complex cell mixtures based on morphology or fluorescence and their transfer onto a 2D target substrate or a preprocessed 3D scaffold with single cell precision and high cell viability (93–99% cell survival, depending on cell type and substrate). In addition to precise cell positioning, this approach can also be used for the generation of 3D structures by transferring and depositing multiple hydrogel droplets. By further automating and combining this approach with other 3D printing technologies, such as two-photon stereolithography, it has a high potential of becoming a fast and versatile technology for the 2D and 3D bioprinting of mammalian cells with single cell resolution.     

THz Detection of Biomolecules in Aqueous Environments—Status and Perspectives for Analysis Under Physiological Conditions and Clinical use

Bioanalytical THz sensing techniques have proven to be an interesting and viable tool for the label-free detection and analysis of biomolecules. However, a major challenge for THz bioanalytics is to perform investigations in the native aqueous environments of the analytes. This review recapitulates the status and future requirements for establishing THz biosensing as a complementary toolbox in the repertoire of standard bioanalytic methods. The potential use in medical research and clinical diagnosis is discussed. Under these considerations, this article presents a comprehensive categorization of biochemically relevant analytes that have been investigated by THz sensing techniques in aqueous media. The detectable concentration levels of ions, carbohydrates, (poly-)nucleotides, active agents, proteins and different biomacromolecules from THz experiments are compared to characteristic physiological concentrations and lower detection limits of state-of-the-art bioanalytical methods. Finally, recent experimental developments and achievements are discussed, which potentially pave the way for THz analysis of biomolecules under clinically relevant conditions.

     

The role of microstructural evolution during spark plasma sintering on the soft magnetic and electronic properties of a CoFe–Al2O3 soft magnetic composite

Journal of Materials Science - For transformers and inductors to meet the world’s growing demand for electrical power, more efficient soft magnetic materials with high saturation magnetic...     

Effects of red-wine grape pomace on the quality and sensory attributes of beef hamburger patty

This study was conducted to evaluate the effect of red-wine grape pomaces on the quality and sensory attributes of beef hamburger patties. Both phenolic content and antioxidant activity were assessed using Syrah, Merlot and Cabernet Sauvignon pomaces. Following the assessment, hamburger patties were prepared with Merlot pomace at 0%, 2% and 4% for the patty quality and sensory attributes. Grape seeds possessed significantly higher phenolics and antioxidant activities over the seedless pomace (P < 0.05), whereas no significant difference was found for phenolics and antioxidant activities within the seeds and seedless pomaces. The patty pH decreased as the pomace was added for 2% and 4%. Colour values (L*, a* and b*) of patties lowered as the pomace was added. Allo-Kramer shear force and hardness values increased while cooking yield decreased (P < 0.05) with the addition of pomace. No significant difference between control and Merlot patties was found for flavour, juiciness and colour, whereas lower sensory attributes were observed for texture, taste and overall acceptability. It is observed that the addition of fermented red-wine grape pomace provides hamburger patties with health promoting factors such as antioxidant and other functional components, but it also provided darker, sourer and lower cooking yield.