Experimental Efforts Research Articles

Revisiting Epigenetics Fundamentals and Its Biomedical Implications.

In light of the post-genomic era, epigenetics brings about an opportunity to better understand how the molecular machinery works and is led by a complex dynamic set of mechanisms, often intricate and complementary in many aspects. In particular, epigenetics links developmental biology and genetics, as well as many other areas of knowledge. The present work highlights substantial scopes and relevant discoveries related to the development of the term from its first notions. To our understanding, the concept of epigenetics needs to be revisited, as it is one of the most relevant and multifaceted terms in human knowledge. To redirect future novel experimental or theoretical efforts, it is crucial to compile all significant issues that could impact human and ecological benefit in the most precise and accurate manner. In this paper, the reader can find one of the widest compilations of the landmarks and epistemic considerations of the knowledge of epigenetics across the history of biology from the earliest epigenetic formulation to genetic determinism until the present. In the present work, we link the current body of knowledge and earlier pre-genomic concepts in order to propose a new definition of epigenetics that is faithful to its regulatory nature.

The phase behavior of skin-barrier lipids: A combined approach of experiments and simulations

Skin barrier function is localized in its outermost layer, the stratum corneum (SC), which is comprised of corneocyte cells embedded in an extracellular lipid matrix containing ceramides (CERs), cholesterol (CHOL), and free fatty acids (FFAs). The unique structure and composition of this lipid matrix are important for skin barrier function. In this study, experiments and molecular dynamics simulation were combined to investigate the structural properties and phase behavior of mixtures containing nonhydroxy sphingosine CER (CER NS), CHOL, and FFA. X-ray scattering for mixtures with varying CHOL levels revealed the presence of the 5.4 nm short periodicity phase in the presence of CHOL. Bilayers in coarse-grained multilayer simulations of the same compositions contained domains with thicknesses of approximately 5.3 and 5.8 nm that are associated with elevated levels, respectively, of CER sphingosine chains with CHOL, and CER acyl chains with FFA chains. The prevalence of the thicker domain increased with decreasing CHOL content. This might correspond to a phase with ∼5.8 nm spacing observed by x-rays (other details unknown) in mixtures with lower CHOL content. Scissoring and stretching frequencies from Fourier transform infrared spectroscopy (FTIR) also indicate interaction between FFA and CER acyl chains and little interaction between CER acyl and CER sphingosine chains, which requires CER molecules to adopt a predominantly extended conformation. In the simulated systems, neighbor preferences of extended CER chains align more closely with the FTIR observations than those of CERs with hairpin ceramide chains. Both FTIR and atomistic simulations of reverse mapped multilayer membranes detect a hexagonal to fluid phase transition between 65 and 80°C. These results demonstrate the utility of a collaborative experimental and simulation effort in gaining a more comprehensive understanding of SC lipid membranes.

Intelligent Recommendation Systems Powered by Consensus Neural Networks: The Ultimate Solution for Finding Suitable Chiral Chromatographic Systems?

The selection of suitable combinations of chiral stationary phases (CSPs) and mobile phases (MPs) for the enantioresolution of chiral compounds is a complex issue that often requires considerable experimental effort and can lead to significant waste. Linking the structure of a chiral compound to a CSP/MP system suitable for its enantioseparation can be an effective solution to this problem. In this study, we evaluate algorithmic tools for this purpose. Our proposed consensus model, which uses multiple optimized artificial neural networks (ANNs), shows potential as an intelligent recommendation system (IRS) for ranking chromatographic systems suitable for the enantioresolution of chiral compounds with different molecular structures. To evaluate the IRS potential in a proof-of-concept stage, 56 structural descriptors for 56 structurally unrelated chiral compounds across 14 different families are considered. Chromatographic systems under study comprise 7 cellulose and amylose derivative CSPs and acetonitrile or methanol aqueous MPs (14 chromatographic systems in all). The ANNs are optimized using a fit-for-purpose version of the chaotic neural network algorithm with competitive learning (CCLNNA), a novel approach not previously applied in the chemical domain. CCLNNA is adapted to define the inner ANN complexity and perform feature selection of the structural descriptors. A customized target function evaluates the correctness of recommending the appropriate CSP/MP system. The ANN-consensus model exhibits no advisory failures and requires only an experimental attempt to verify the IRS recommendation for complete enantioresolution. This outstanding performance highlights its potential to effectively resolve this problem.

Exploring COVID-19 Pandemic Disparities with Transcriptomic Meta-analysis from the Perspective of Personalized Medicine

Infection with SARS-CoV2, which is responsible for COVID-19, can lead to differences in disease development, severity and mortality rates depending on gender, age or the presence of certain diseases. Considering that existing studies ignore these differences, this study aims to uncover potential differences attributable to gender, age and source of sampling as well as viral load using bioinformatics and multi-omics approaches. Differential gene expression analyses were used to analyse the phenotypic differences between SARS-CoV-2 patients and controls at the mRNA level. Pathway enrichment analyses were performed at the gene set level to identify the activated pathways corresponding to the differences in the samples. Drug repurposing analysis was performed at the protein level, focusing on host-mediated drug candidates to uncover potential therapeutic differences. Significant differences (i.e. the number of differentially expressed genes and their characteristics) were observed for COVID-19 at the mRNA level depending on the sample source, gender and age of the samples. The results of the pathway enrichment show that SARS-CoV-2 can be combated more effectively in the respiratory tract than in the blood samples. Taking into account the different sample sources and their characteristics, different drug candidates were identified. Evaluating disease prediction, prevention and/or treatment strategies from a personalised perspective is crucial. In this study, we not only evaluated the differences in COVID-19 from a personalised perspective, but also provided valuable data for further experimental and clinical efforts. Our findings could shed light on potential pandemics.

Automated Continuous Crystallization Platform with Real-Time Particle Size Analysis via Laser Diffraction.

The fourth industrial revolution is gaining momentum in the pharmaceutical industry. However, particulate processes and suspension handling remain big challenges for automation and the implementation of real-time particle size analysis. Moreover, the development of antisolvent crystallization processes is often limited by the associated time-intensive experimental screenings. This work demonstrates a fully automated modular crystallization platform that overcomes these bottlenecks. The system combines automated crystallization, sample preparation, and immediate crystal size analysis via online laser diffraction (LD) and provides a technology for rapidly screening crystallization process parameters and crystallizer design spaces with minimal experimental effort. During the LD measurements, to avoid multiple scattering events, crystal suspension samples are diluted automatically. Multiple software tools, i.e., LabVIEW, Python, and PharmaMV, and logic algorithms are integrated in the platform to facilitate automated control of all the sensors and equipment, enabling fully automated operation. A customized graphical user interface is provided to operate the crystallization platform automatically and to visualize the measured crystal size and the crystal size distribution of the suspension. Antisolvent crystallization of ibuprofen, with ethanol as solvent and water with Soluplus (an additive) as antisolvent, is used as a case study. The platform is demonstrated for antisolvent crystallization of small ibuprofen crystals in a confined impinging jet crystallizer, performing automated preplanned user-defined experiments with online LD analysis.

Understanding Europium and Terbium Speciation and Ion Pairing in Carbonate Complexes Using Advanced Spectroscopy Techniques

Lanthanide (Ln) elements are critical materials that are typically extracted/mined together. Their separation by solvent extraction from acidic media is well known; however, there are few studies in basic media with carbonate anions. We investigated the complexation of Eu(III) and Tb(III) carbonates as solids and solutions in alkaline K2CO3, wherein we sought to access a Tb(IV) carbonate complex through ozonolysis. L3‐edge XANES of Eu and Tb carbonate solids, colorless solutions, and a red‐hued Tb solution (obtained by ozonolysis) all showed Ln(III) cations. The absence of evidence for a Tb(IV) complex was confirmed through XAS and EPR analyses, despite the solution exhibiting a deep red color. For solids and solutions, EXAFS results indicate molecular Ln(III)‐carbonato anions. In terms of the Eu(III) carbonate coordination number, the coordination does not change upon dissolution of the solid sample. Furthermore, EXAFS for the solutions revealed evidence for the association of potassium cations with the Ln(III)‐carbonato anions. This direct observation of contact ion pairing by EXAFS at room temperature is rare. The insights into Ln(III) carbonate complexation and solution speciation afforded by XANES‐EXAFS, FT‐IR, and EPR provides perspectives that serve as benchmarks for future computational and experimental efforts focused on caustic‐side solvent extraction of Ln(III) ions.

Tunable optical properties of isoreticular UiO-67 MOFs for photocatalysis: a theoretical study.

A theoretical study of the reported photocatalytic systems based on Zr-based MOF (UiO-67) with biphenyl-4,4'-dicarboxylic acid (bpdc) and 2,2'-bipyridine-5,5'-dicarboxylic acid (bpydc) as linkers was performed. Quantum chemical calculations were carried out to understand the optical properties of the materials and to facilitate the rational design of new UiO-67 derivatives with potentially improved features as photocatalysts under ambient conditions. Hence, the effect of the structural modifications on the optical properties was studied considering different designs based on the nature of the linkers: in 1 only the bpdc linker was considered, or the mixture 1 : 1 between bpdc and bpydc linkers (labeled as 1A). Also, substituents R, -NH2, and -SH, were included in the 1A MOF only over the bpdc linker (labeled as 1A-bpdc-R) and on both bpdc and bpydc linkers (labeled as 1A-R). Thus a family of six isoreticular UiO-67 derivatives was theoretically characterized using Density Functional Theory (DFT) calculations on the ground singlet (S0) and first excited states (singlet and triplet) using Time-Dependent Density Functional Theory (TD-DFT), multiconfigurational post-Hartree-Fock method via Complete Active Space Self-Consistent Field (CASSCF). In addition, the use of periodic DFT calculations suggest that the energy transfer (ET) channel between bpdc and bpydc linkers might generate more luminescence quenching of 1A when compare to 1. Besides, the results suggest that the 1A-R (R: -SH and NH2) can be used under ambient conditions; however, the ET exhibited by 1A, cannot take place in the same magnitude in these systems. These ET can favor the photocatalytic reduction of a potential metal ion, that can coordinate with the bpydc ligand, via LMCT transition. Consequently, the MOF might be photocatalytically active against molecules of interest (such as H2, N2, CO2, among others) with photo-reduced metal ions. These theoretical results serve as a useful tool to guide experimental efforts in the design of new photocatalytic MOF-based systems.

Turbulent Channel Flow Diagnostics By Means Of Shake-The-Box (STB): Flow Structures And Sublayer Profiles

Time-resolved Shake-the-Box (STB) experiments have been conducted in the channel-flow facility at the Institute of Fluid Mechanics (ISTM) at f = 30 kHz repetition rate to study the near-wall velocity field at a viscous Reynolds number of Reτ = 350 (centerline velocity Ucl = 8.4 m/s, channel half-height h = 12.6 mm, viscous unit δv ≈ 36 μm) to testify the STB method for the applicability to provide high-resolution velocity information of the given flow field including the sublayer region of the channel flow. In addition to the extraction of Lagrangian particle tracks and corresponding Eulerian iso-surfaces of vortical structure the major emphasis of the study centers around an evaluation of the resulting near wall velocity profile. Particularly, it is discussed how the choice of data-processing steps and strategies affects the resulting velocity estimates in the immediate vicinity of the wall, where the major impact for the current study has been identified to result from image-arithmetic efforts during data pre-processing. The achieved results are discussed and further compared with direct numerical simulations (DNS) of similar Reτ and earlier experimental efforts at ISTM of the same flow configuration by means of stereoscopic particle image velocimetry (stereo PIV) and a laser-Doppler velocimetry profile sensor (LDV-PS). Finally, future perspectives of the experimental efforts for near-wall shear flow measurements are outlined on the grounds of the achieved insights.

Technological Novelties and Scientific Discoveries with the Borexino Experiment

The Borexino experiment has developed, in its 32 years of activity, techniques and methods that allow for unprecedented radiopurity levels, which continue to be the current state of the art. These pioneering techniques and methods represent a new standard for ultra-low-background physics, a legacy that Borexino leaves to future experiments studying low-energy neutrinos and searching for rare events with detectors operating deep underground. The Borexino experiment leaves an equally influential scientific legacy with its discoveries and precise measurements of the nuclear processes that cause the Sun and stars to shine. Thanks to its unparalleled low background in the energy window of ∼150 keV to ∼15 MeV, the Borexino experiment also has contributed significantly to the understanding of neutrino oscillations with the observation of the energy-dependent matter to vacuum-dominated flavor conversion probability of solar neutrinos. Along with this textbook-quality body of solar neutrino results, the Borexino experiment has contributed to the study of the Earth's mantle radioactivity with background-free measurements of geoneutrinos. This article presents an overview of the long-lasting Borexino results and of the experimental efforts required to achieve them.

Open charm production cross section from combined LHC experiments in pp collisions at s=5.02\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\sqrt{s} = 5.02$$\\end{document} TeV

Open charm production in proton–proton collisions represents an important tool to investigate some of the most fundamental aspects of quantum chromodynamics, from the partonic mechanisms of heavy-quark production to the process of heavy-quark hadronisation. Over the last decade, the measurement of the production cross sections of charm mesons and baryons in proton–proton (pp) collisions was at the centre of a wide experimental effort at the Large Hadron Collider. Thanks to the complementarity of the different experiments, the production of charm hadrons was measured over a wide transverse momentum region and in different rapidity ranges. In this paper, the measurements of the charm hadrons D0\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$D^{0}$$\\end{document}, D∗+\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$D^{*+}$$\\end{document}, D+\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$D^{+}$$\\end{document}, Ds+\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$D^{+}_{s}$$\\end{document}, Λc+\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\Lambda _{c}^{+}$$\\end{document} and Ξc0\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\Xi _{c}^{0}$$\\end{document} performed by the ALICE, CMS and LHCb collaborations in pp collisions at the centre-of-mass energy s=5.02\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\sqrt{s}=5.02$$\\end{document} TeV are combined to determine the total charm quark production cross section σcc¯\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\sigma _{c\\bar{c}}$$\\end{document} in a novel data-driven approach. The resulting total cc¯\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$c\\overline{c}$$\\end{document} cross section is σcc¯(pp,5.02TeV)=8.34±0.22(stat.)-0.37+0.37(syst.)-0.46+0.36(extr.)-0+0.68(Ωc)mb.\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\begin{aligned} \\begin{aligned} \\sigma _{c\\overline{c}} ({\ extrm{pp}},5.02\\,{\ extrm{TeV}}) ={}&8.34 \\pm 0.22\\mathrm { (stat.) } {}^{+0.37}_{-0.37} \\mathrm { (syst.) } {}^{+0.36}_{-0.46} \\mathrm { (extr.) } {}^{+0.68}_{-0} (\\Omega _c) \\,{\ ext {mb}}. \\end{aligned} \\end{aligned}$$\\end{document}The measured charm hadron distributions and corresponding cross sections are compared with the most recent theoretical calculations.

Ultra-selective pyrene-based fluorescent sensor for detection of Fe+3 in neat aqueous medium

Transition metals, particularly Fe+3, play vital roles in biological and environmental systems, yet their chronic elevation can lead to severe diseases. Early detection of Fe+3 is crucial for diagnosing associated ailments. While traditional detection methods have drawbacks, fluorescent sensors offer promising alternatives due to their ease of use, cost-effectiveness, and real-time monitoring capability. Pyrene-based sensors have demonstrated notable sensitivity and selectivity for Fe+3, but challenges remain in achieving applicability in neat aqueous systems. We present two novel turn-off pyrene-based sensors, APTS (sodium 8-aminopyrene-1,3,6-trisulfonate) and APSS (sodium (E)-4-hydroxy-3-((pyren-1-ylimino)methyl)benzenesulfonate), incorporating sulfonate groups to enable their use in pure water samples and achieve nanomolar-level detection limits. Through meticulous experimental and characterization efforts, we elucidate the significance of the imine linkage in enhancing selectivity towards Fe+3 ions. Our sensors exhibit exceptional selectivity and sensitivity, with LODs of 45.6 nM and 45.9 nM for APTS and APSS, respectively, surpassing environmental protection guidelines. Additionally, binding stoichiometry studies reveal insights into the interaction mechanisms, supported by fluorescence lifetime analysis and DFT studies. APSS particularly stands out for its lack of interference from other metal ions, notably Cu2+ as well as Fe2+, offering promising potential for real-time applications and development of paper strip tests. The practical applicability of our sensors is demonstrated through successful Fe+3 detection in various water samples with recoveries ranging from 94 % to 104 %. Overall, our study highlights the effectiveness of APTS and APSS as robust fluorescent probes, with implications for environmental monitoring and biomedical diagnostics.

A recipe for an effective selection of promising candidates for high-temperature superconductors among binary hydrides

Recent research on compressed binary hydrides have unveiled the potential for achieving superconductivity at near-room-temperature. Nevertheless, the available decision-making procedures standing behind the selection of constituent elements that may potentially exhibit high values of critical temperature (Tc) are far from optimal. In other words, a lot of experimental and numerical effort is wasted on exploring unpromising compounds. By conducting a deep study of a database containing over 580 binary hydride superconductors, we were able to observe some interesting relationships between Tc and selected physico-chemical properties of examined compounds. Among studied parameters, the ratio of the sum of the molecular weight of heavier atoms to the total mass of all hydrogen atoms in the chemical formula of hydride (MX/MH) was found to be the most valuable indicator that can help to screen for new promising superconductor candidates. This is because the highest Tc requires the lowest MX/MH ratio. Statistical analysis indicates a 28% chance of finding Tc > 200 K within 0 <MX/MH < 15. It is expected that these findings will not only allow for more efficient use of resources by improving future superconductor candidates selection but also they will accelerate ongoing experimental and numerical research that should bring new exciting discoveries in a much shorter time.

Optoelectronic properties of electron-acceptor molecules adsorbed on graphene/silicon carbide interfaces

Silicon carbide has emerged as an optimal semiconducting support for graphene growth. In previous studies, the formation of an interfacial graphene-like buffer layer covalently bonded to silicon carbide has been observed, revealing electronic properties distinct from ideal graphene. Despite extensive experimental efforts dedicated to this interface, theoretical investigations have been confined to its ground state. Here, we use many-body perturbation theory to study the electronic and optical characteristics of this interface and demonstrate its potential for optoelectronics. By adsorbing graphene, we show that the quasiparticle band structure exhibits a reduced bandgap, associated with an optical onset in the visible energy window. Furthermore, we reveal that the absorption of two prototypical electron-accepting molecules on this substrate results in a significant renormalization of the adsorbate gap, giving rise to distinct low-lying optically excited states in the near-infrared region. These states are well-separated from the substrate’s absorption bands, ensuring wavelength selectivity for molecular optoelectronic applications.

Molecular Mechanism of Cynodon dactylon Phytosterols Targeting MAPK3 and PARP1 to Combat Epithelial Ovarian Cancer: A Multifaceted Computational Approach.

Epithelial Ovarian Cancer (EOC) presents a global health concern, necessitating the development of innovative therapeutic strategies to combat its impact. This study was employed to investigate the unexplored therapeutic efficacy of Cynodon dactylon phytochemicals against EOC using a multifaceted computational approach. A total of 19 out of 89 rigorously curated phytochemicals were assessed as potential drug targets via ADMET profiling, while protein-protein interaction analysis scrutinized the top 20 hub genes among 264 disease targets, revealing their involvement in cancer-related pathways and underscoring their significance in EOC pathogenesis. In molecular docking, Stigmasterol acetate showed the highest binding affinity (-10.9 kcal/mol) with Poly [ADP-ribose] polymerase-1 (PDB: 1UK1), while Arundoin and Beta-Sitosterol exhibited strong affinities (-10.4 kcal/mol and -10.1 kcal/mol, respectively); additionally, Beta-Sitosterol interacting with Mitogen-activated protein kinase 3 (PDB: 4QTB) showed a binding affinity of -10.1 kcal/mol, forming 2 hydrogen bonds and a total of 10 bonds with 10 residues. Molecular dynamics simulations exhibited the significant structural stability of the Beta-Sitosterol-4QTB complex with superior binding free energy (-36.61 kcal/mol) among the three complexes. This study identified C. dactylon phytosterols, particularly Beta-Sitosterol, as effective in targeting MAPK3 and PARP1 to combat EOC, laying the groundwork for further experimental validation and drug development efforts.

A Split-Plot Experimentation Strategy for Making Causal Inferences in Advanced Materials: Auxetic Polyurethane Foam Manufacturing and Processing Analysis.

Development of advanced materials is often time consuming and expensive because of the large number of variables involved and experiments needed. An effective experimentation strategy would accelerate development by reducing the required amount of experiments without sacrificing the obtainable information. In this paper, the development of auxetic polyurethane (PU) foams was discussed as a case study. Auxetic materials are materials with a negative Poisson's ratio and have potential in many structural and functional applications. Auxetic PU foams are the most studied auxetic materials, and their manufacturing and properties are affected by many processing and environmental factors. This paper introduces a sophisticated design of experimental methodology to help reduce the experimental effort while effectively screening these factors. This methodology is then applied in an experiment to illustrate its utility and distinct advantages that greatly facilitate material development.

Machine learning of metabolite-protein interactions from model-derived metabolic phenotypes.

Unraveling metabolite-protein interactions is key to identifying the mechanisms by which metabolism affects the function of other cellular layers. Despite extensive experimental and computational efforts to identify the regulatory roles of metabolites in interaction with proteins, it remains challenging to achieve a genome-scale coverage of these interactions. Here, we leverage established gold standards for metabolite-protein interactions to train supervised classifiers using features derived from genome-scale metabolic models and matched data on protein abundance and reaction fluxes to distinguish interacting from non-interacting pairs. Through a comprehensive comparative study, we explore the impact of different features and assess the effect of gold standards for non-interacting pairs on the performance of the classifiers. Using data sets from Escherichia coli and Saccharomyces cerevisiae, we demonstrate that the features constructed by integrating fluxomic and proteomic data with metabolic phenotypes predicted from genome-scale metabolic models can be effectively used to train classifiers, accurately predicting metabolite-protein interactions in the context of metabolism. Our results reveal that the high performance of classifiers trained on these features is unaffected by the method used to generate gold standards for non-interacting pairs. Overall, our study introduces valuable features that improve the performance of identifying metabolite-protein interactions in the context of metabolism.

Reviewing experimental and theoretical efforts and key findings regarding hydrodynamic journal bearing geometry

Abstract Journal bearing operation particularly in regard to marine applications is significantly affected by the performance of the most critical operational factors. Specifically, the lubricating oil film within journal bearing is so often than not subject to hazardous deterioration and ultimate failure in real operating conditions. Considering such fact, the current study is intended to carry out a literature survey regarding the efforts towards enhanced journal bearing performance based on proper selection of geometrical design for journal bearing. The aggregated data were thoroughly analyzed and assessed utilizing experimental, theoretical as well as numerical means. The outcomes derived from the conducted review represent firm grounds for carrying out extensive modifications into journal bearing design for marine applications. Further, such data will possibly be employed in future research investigations to extend the capability of journal bearing and its functions to attain the most possible enhanced performance in actual operating conditions. Apparently, the vast majority of both experimental and theoretical studies into journal bearing geometrical designs for enhanced performance, 66 in all, have been focused on surface texture accounting for 26.67 % (29 research studies) and 32.43 % (33 research studies) of the total investigations under study respectively. Regarding the experimental studies, realizing promoted performance of lubricating oil film by working on pressure profile has evidently obtained the largest contribution representing 35.5% of the overall bulk of the reviewed efforts, Figure 6.

Role of crystal orientation in attosecond photoinjection dynamics of germanium.

Understanding photoinjection in semiconductors-a fundamental physical process-represents the first step toward devising new opto-electronic devices, capable of operating on unprecedented time scales. Fostered by the development of few-femtosecond, intense infrared pulses, and attosecond spectroscopy techniques, ultrafast charge injection in solids has been the subject of intense theoretical and experimental investigation. Recent results have shown that while under certain conditions photoinjection can be ascribed to a single, well-defined phenomenon, in a realistic multi-band semiconductor like Ge, several competing mechanisms determine the sub-cycle interaction of an intense light field with the atomic and electronic structure of matter. In this latter case, it is yet unclear how the complex balance between the different physical mechanisms is altered by the chosen interaction geometry, dictated by the relative orientation between the crystal lattice and the laser electric field direction. In this work, we investigate ultrafast photoinjection in a Ge monocrystalline sample with attosecond temporal resolution under two distinct orientations. Our combined theoretical and experimental effort suggests that the physical mechanisms determining carrier excitation in Ge are largely robust against crystal rotation. Nevertheless, the different alignment between the laser field and the crystal unit cell causes non-negligible changes in the momentum distribution of the excited carriers and their injection yield. Further experiments are needed to clarify whether the crystal orientation can be used to tune the photoinjection of carriers in a semiconductor at these extreme time scales.

The composited high reflectivity p-type electrodes with patterned ITO for AlGaN-based ultraviolet light emitting diodes

Composited p-type electrodes with high reflectivity have been investigated in AlGaN-based ultraviolet light emitting diodes (UV-LEDs) to improve the light extraction efficiency, which are composed of a patterned ITO layer and an Al reflector. It is verified that the patterned ITO with a thickness of 30 nm can not only well form Ohmic contact with p-GaN capping layer, but also be nearly 90% transparent to ultraviolet light, and thus presenting a reflectivity of 73% at 280 nm when combined with an Al reflector. Further experimental efforts confirm that the performance of the UV-LEDs is dramatically improved with such p-type electrodes. The maximum light output power and wall plug efficiency in the current range of 0–100 mA are severally increased by 49.8% and 54.2% compared to the device with traditional Ni/Au electrodes.

Numerical and Experimental Investigation of Heat Transfer in the Porous Media of an Additively Manufactured Evaporator of a Two-Phase Mechanically Pumped Loop for Space Applications

Two-phase pumped cooling systems are applied when it is required to maintain a very stable temperature for heat dissipation in a system. A novel additively manufactured evaporator for two-phase thermal control was developed at NASA Jet Propulsion Laboratory (JPL). The Two-Phase Mechanically Pumped Loop (2PMPL) allows to manage the heat transfer with much wider breadth of control authority compared to capillary-based systems, while alleviating the system's sensitivity to pressure drops. The focus of this work is the understanding and capturing the micro-scale evaporation occurring in the porous structure of the evaporator. The Boiling and Phase Change Heat Transfer Laboratory at the University of California, Los Angeles (UCLA) developed an all-encompassing numerical simulation tool to predict the operational thermal behavior of the evaporator considering the effect of the liquid-vapor interface at the wick-to-vapor boundary. The numerical model incorporated the behaviour of the liquid-vapor meniscus at particle level located along the evaporative boundary between the wick structure and the vapor chamber. The numerical model allowed to study the effect of different parameters, such as boundary conditions, geometry, wick and fluid properties. An experimental setup was built at UCLA in order to characterize the heat transfer within an additively manufactured porous sample fabricated at JPL and in particular its evaporative heat load under certain heat inputs. The experimental efforts served as validation for the numerical results and aided in the characterization of the transient phenomena, such as dry-out.