The present study employed a modifed QuEChERS method to systematically analyze the presence of fifteen Quinolones and seven Tetracyclines antibiotic residues in local animal food. Additionally, a multi-level-four-factor Box-Behnken design (BBD) within the framework of Response surface methodology (RSM) was utilized to evaluate the various factors affecting the detection efficiency of the sample pretreament procedure. The optimization was performed by Design Expert®, the factors including volume of the acetonitrle, the addition of formic acid, the duration of extract and the addition of EDTA were combined to experiment design until reach an optimal solution. Finally, the sample test was conducted by ultra-high performance liquid chromatography-quadrupole-linear ion trap mass spectrometry in both multiple reaction monitoring (MRM) and enhanced product ion (EPI) scan modes on a QTRAP® 5500 instrument. The overall average recoveries from actual samples fortified with 22 antibiotics at three levels ranged from 74.7 to 122.6% based on the use of matrix-fortified calibration with the variation ranging from 2.1 to 18.2% (n=6). The limits of detection and quantification were 0.3 μg kg-1 and 1.0 μg kg-1, respectively.

The literature lacks consensus on the minimum microbial density required for diagnosing urinary tract infections (UTIs). This study categorized the microbial densities of urine specimens from symptomatic presumptive UTI patients and correlated them with detected levels of immune response biomarkers NGAL, IL-8, and IL-1β. The objective was to identify changes in immune response at different microbial densities and determine an optimal threshold for diagnosing symptomatic UTIs. Midstream clean-catch urine samples were analyzed for microbial identification and quantification using SUC and M-PCR, while NGAL, IL-8, and IL-1β levels were measured with ELISA. NGAL, IL-8, and IL-1β levels were all significantly higher in symptomatic subjects with microbial densities ≥ 10,000 cells/mL by M-PCR (p < 0.0069) or equivalent CFUs/mL by SUC (p < 0.0104) compared to samples with no detectable microbes. With both PCR and SUC, a consensus of two or more elevated biomarkers correlated well with microbial densities > 10,000 cells/mL or CFU/mL, respectively. The association between ≥ 10,000 cells and CFU per mL with elevated biomarkers in symptomatic patients suggests that this lower threshold may be more suitable for diagnosing UTIs. These findings challenge the widely used threshold of 100,000 CFU per mL, which may overlook many active UTI cases.

To reduce environmental impacts from sodium silicate synthesis it was suggested the use of sugarcane bagasse ash (SCBA) as a source of silicon dioxide and sodium carbonate using the ceramic method. Although the production of sodium silicate is carried out on a large scale, it should be noted that its process requires temperatures above 1000 °C or the use of highly corrosive agents such as sodium hydroxide and chlorine gas used to neutralize the remaining sodium hydroxide. In the present work, the synthesis temperatures were reduced to 800 °C with a reaction time of 3 hours by pressing equimolar mixtures of previously purified SCBA and sodium carbonate, then heat treatment was carried out under the indicated conditions. The resulting materials were analyzed by Fourier transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD). Among the crystalline phases, calcium disodium silicate was identified, in addition to sodium silicate, so it was inferred that the other components of the ash can interfere with the synthesis of silicate. Therefore, to obtain the highest composition of sodium silicate, a leaching treatment of the SCBA is required.

Two reversible furan-maleimide resins, in which there are rigid -Ph-CH2-Ph- structure and flexible -(CH2)6- structures in bismaleimides, were synthesized from furfuryl glycidyl ethers (FGE), 4,4′-diaminodiphenyl ether (ODA), N,N'-4,4'-diphenylmethane-bismaleimide (DBMI) and N,N'-hexamethylene-bismaleimide (HBMI). The structures of the resins were confirmed by Fourier transform infrared analysis, and the thermoreversibility was evidenced by differential scanning calorimetry (DSC) analysis as well as sol-gel transformation process. Mechanical properties and recyclability of the resins were preliminarily evaluated by the flexural test. The results show the Diels-Alder (DA) reaction occurs at about 90°C and reversible DA reaction does at 130-140°C for the furan-maleimide resin. Thermally reversible furan-maleimide resins have high mechanical properties. The flexural strength of cured FGE-ODA-HBMI resin arrives at 141 MPa. The resins have a repair efficiency of over 75%. After being hot-pressed for three times, two resins display higher flexural strength than 80 MPa.

In the first wave of COVID-19, up to 20% of patients had skin lesions with variable characteristics. There is no clear evidence of the involvement of the SARS-CoV-2 virus in all the cases; some of these lesions may be secondary to drug hypersensitivity. To analyze the possible cause of the skin lesions, we performed a complete allergology study on 11 patients. One year after recovery from COVID-19, we performed a lymphocyte transformation test (LTT) and Th1/Th2 cytokine secretion assays of PBMC. We included 5 nonallergic patients treated with the same drugs without lesions. Except for one patient who had an immediate reaction to azithromycin, all patients had a positive LTT to at least one of the drugs tested (azithromycin, clavulanic acid, hydroxychloroquine, lopinavir, and ritonavir). None of the nonallergic patients had a positive LTT. We found mixed Th1/Th2 cytokine secretion (IL-4, IL-5, IL-13, and IFN-γ) in patients with skin lesions corresponding to mixed drug hypersensitivity type IVa and IVb. In all cases, we identified a candidate drug as the culprit for skin lesions during SARS-CoV-2 infection, although only three patients had a positive drug challenge. Therefore, it would be reasonable to recommend avoiding the drug in question in all cases.

Coffee is not only a delicious beverage but also an important dietary source of natural antioxidants. We live in an oxidative world where it is impossible to avoid pollution, stress, food additives, radiation, and other sources of oxidants that eventually lead to severe health disorders. Fortunately, there are chemicals in our diet that counteract the hazards posed by the reactive species that trigger oxidative stress. They are usually referred to as antioxidants; some of them can be versatile compounds that exert such a role in various ways. This review summarizes, from a chemical point of view, the antioxidant effects of relevant molecules found in coffee. Their ways of action and trends in activity are analyzed, considering the data gathered so far from both theory and experiments. The influence of the media and pH in aqueous solution, and structure-activity relationships are discussed. The protective role of the explored compounds is examined. A particular section is devoted to derivatives of some coffee components, and another one to their bioactivity. The data used in the analysis come from theoretical anc computational protocols, which have been proven to be very usefull in this context. Hopefully, the information provided here will promote further investigations into the amazing chemistry contained in our morning cup.

The polymerase chain reaction (PCR) is a widely used technique in the biosciences and has become increasingly popular in recent years. One of the key elements of this technique is the use of a DNA polymerase that is heat-stable and retains fidelity during the process. To this end, archaeal Fam-ily-B DNA polymerases are preferred due to their high thermostability and fidelity. In particular, the DNA polymerase from Thermus aquaticus (Taq DNApol) is widely utilized in PCR procedures. In this work, a novel in-silico structure-based methodology was employed to examine the most heat-tolerant DNA polymerase available. In spite of this, Thermococcus kodakarensis and Geobacillus stearothermophilus DNApol are more stable and heat-tolerant DNApols due to their high number of intra-protein interactions. Variations in the content of polar amino acids also played a significant role in the increase in heat stability. A further factor contributing to the stability of proteins is the stabilization of helix in secondary structure through the use of charged amino acids. DNApol from these organisms has been shown to be suitable for use in PCR, as well as in other biological processes able to withstand high temperatures. In this study, it has been demonstrated that im-provements in PCR performance can be easily obtained by blending elements from closely related archaeal polymerases, a strategy that may, in the future, be extended to other archaeal polymer-ases. This approach allowed for a comprehensive analysis of the enzyme's thermal stability and fidelity, leading to an improved understanding of the polymerase's properties and potential ap-plications

Coffee is not only a delicious beverage but also an important dietary source of natural antioxidants. We live in an oxidative world where it is impossible to avoid pollution, stress, food additives, radiation, and other sources of oxidants that eventually lead to severe health disorders. Fortunately, there are chemicals in our diet that counteract the hazards posed by the reactive species that trigger oxidative stress. They are usually referred to as antioxidants; some of them can be versatile compounds that exert such a role in various ways. This review summarizes, from a chemical point of view, the antioxidant effects of relevant molecules found in coffee. Their ways of action and trends in activity are analyzed, considering the data gathered so far from both theory and experiments. The influence of the media and pH in aqueous solution, and structure-activity relationships are discussed. The protective role of the explored compounds is examined. A particular section is devoted to derivatives of some coffee components, and another one to their bioactivity. Hopefully, the information provided here will promote further investigations into the amazing chemistry contained in our morning cup.

To realize the energy recovery of wheat straw, the pyrolysis behavior of wheat straw was studied at three heating rates (10, 20, and 30 K/min) based on thermogravimetric analysis (TG–DTG). Kinetics and thermodynamics were analyzed using Flynn–Wall–Ozawa (FWO) and Kissinger–Akahira–Sunose (KAS) model-free methods, and reaction mechanism was determined using Coats–Redfern (CR) model-fitting method. The results show that there are three weightlessness stages in the pyrolysis process, of which the second stage was the main weightlessness stage and two distinct peaks of weightlessness were observed in this stage. With increasing heating rate, the main pyrolytic weightlessness peaks of DTG curve shifts to higher temperature. The pyrolysis activation energy calculated by FWO and KAS methods are 165.17–440.02 kJ/mol and 163.72–452.07 kJ/mol, and the pre-exponential factor vary in the range of 2.58×1012–7.45×1036 s-1 and 1.91×1012–8.66×1037 s-1, respectively. The thermodynamic parameters indicates that wheat straw has the favorable conditions for product formation and containes potential energy to be utilized for bioenergy production, its pyrolysis reaction was non-spontaneous and the energy output is stable. CR method analysis shows that the A1/3 random nucleation model is the most suitable mechanism to characterize the pyrolysis process, and random nucleation may be in charge of the main pyrolysis stage. This study can provide a theoretical basis for the thermochemical conversion and utilization of wheat straw.

The aggregate aftermath of persistent inflammation in patients with inflammatory bowel disease (IBD) places them at increased risk for the advancement to colitis-associated colorectal cancer (CACRC). CACRC is preceded by IBD, the highly heterogenous, pharmacologically incurable, pertinacious, reverting/worsening, and immune-mediated inflammatory pathologies of the colon and rectum. The molecular and immunological basis of CACRC is highly correlated with the length/duration and stringency/severity of colon inflammation predisposed by the exogenous/free hemoglobin alpha chain (HbαC) the byproduct of infiltrating immune cells, extravasated erythrocytes, and macrophage erythrophagocytosis. The exogenous free HbαC prompts oxygen-free radical-arbitrated DNA damage (DNAD) through increased cellular reactive oxygen species (ROS) exacerbated by decreased tissue antioxidant defenses. Mitigation of Fenton reaction via pharmaceutical therapy would attenuate the ROS, promote apoptosis, DNAD repair, and subsequent prevent the incidence of CACRC. Three pharmaceutical options that attenuate hemoglobin toxicity include haptoglobin, deferoxamine, and flavonoids (vitamins C/E). Haptoglobin’s clearance rare from plasma is inversely correlated with its size; the smaller the size, the faster the clearance. Thus, the administration of Hp1-1 may prove to be beneficial. Furthermore, deferoxamine’s hydrophilic structure limits its ability to cross cell membranes. Thus, it may be beneficial if administered intracellularly to avoid the higher plasma concentrations and longer incubation periods associated with extracellular administration. Finally, the effectiveness of flavonoids and natural herb antioxidants is associated with high reactivity of hydroxyl substituents. Multiple analyses are currently underway to assess the clinical context of CACRC and outline the molecular basis of HbαC-induced ROS pathogenesis by exposing colonocytes and/or colonoids to HbαC. These cells are then treated with haptoglobin, deferoxamine (DFO), and flavonoids in order to separate free HbαC and measure their impact on hydroxyl radical formation therapies. The molecular pathogenesis of sporadic colorectal cancer (SCRC) i.e., “inflammation-dysplasia-carcinoma” progression sequence is well described, but the immunopathogenesis of CACRC herein reviewed is broadly still in prodromal stage/phase to be validated and understood. Therefore this timely review outlines the molecular and immunological basis of disease pathogenesis and the pharmaceutical intervention as a protective measure for CACRC.

With the evolution of toxic chemicals continuing to progress, developing methods for the destruction of chemical warfare agents (CWAs) has become an increasingly important research topic. Metal-organic frameworks (MOFs) are a class of porous crystalline solids that have sparked interest in this area. Due to their exceptional porosities and large surface areas, MOFs possess superior adsorption, reactivity, and catalytic abilities, making them structurally ideal candidates for the capture and decomposition of target species. Additionally, the tunable networks of MOFs allow their chemical functionalities to be customized for various applications and operating conditions, making them practicable in personal protective equipment and adjustable to dynamic environments. This paper reviews experimental and computational studies on CWA removal by MOFs, with a special emphasis on nerve agent (GB, GD, and VX) removal via hydrolysis and sulfur mustard (HD) removal via selective photooxidation. With extraordinary structural stability and reusability, zirconium-based MOFs are the most promising materials for hydrolytic and photooxidative degradation of CWAs and are thus the primary focus of this work. First-principles approximations of the intrinsic catalytic reaction mechanisms towards different agents in Zr-MOFs are summarized, and developments in the structure-property relationships governing Zr-MOF design rules for efficient degradation in the aqueous and solid phases are discussed. We also examine recent progress in tuning and functionalizing MOFs to promote practical CWA removal under realistic battlefield conditions.

Iron-containing nickel sulfides, selenides, and sulfoselenides were synthesized via a simple two-step hydrothermal reaction (temperature 160 °C) for their application as electrocatalysts in the oxygen evolution reaction (OER) in an alkaline solution (1 mol L–1 KOH). The study demonstrated that iron-containing nickel cobalt sulfides and selenides exhibit superior OER performance with lower overpotentials compared to iron-free nickel cobalt sulfide and selenide, which highlights the significant role of iron in enhancing OER nickel cobalt electrocatalysts: Fe0.1Ni1.4Co2.9(S0.87O0.13)4, η50 = 318 mV; Fe0.2Ni1.5Co2.8(S0.9O0.1)4, η50 = 310 mV; Fe0.3Ni1.2Co2.5(S0.9O0.1)4, η50 = 294 mV; Fe0.6Ni1.2Co2.5(S0.83O0.17)4, η50 = 294 mV, Fe0.4Ni0.7Co1.6(Se0.81O0.19)4, η50 = 306 mV compared to Ni1.0Co2.1(S0.9O0.1)4, η50 = 346 mV and Ni0.7Co1.4(Se0.85O0.15)4, η50 = 355 mV (all values at current densities η50 of 50 mA cm–2). Furthermore, the iron-containing nickel cobalt sulfoselenide Fe0.5Ni1.0Co2.0(S0.57Se0.25O0.18)4 displayed exceptional OER performance with η50 = 277 mV, surpassing the benchmark RuO2 electrode with η50 = 299 mV. The superior performance of the sulfoselenide was attributed to its low charge transfer resistance (Rct) of 0.8 Ω at 1.5 V vs. the reversible hydrogen electrode (RHE). Moreover, the sulfoselenide demonstrated remarkable stability, with only a minimal increase in overpotential (η50) from 277 mV to 279 mV after a 20 h chronopotentiometry test. These findings suggest that trimetallic iron, nickel and cobalt sulfide, selenide and especially sulfoselenide materials hold promise as high-performance, cost-effective, and durable electrocatalysts for sustainable OER reactions. This study provides a valuable approach for the development of efficient electrocatalytic materials, contributing to the advancement of renewable energy technologies.

We hereby describe an efficient method for the preparation of a series of new 1-substituted 1,2,3-triazole-based acetaminophen derivatives through a clean, good-yielding, simple, and expeditious procedure based on the O-propargylation reaction of the acetaminophen (APAP) obtained from expired commercial tablets and the CuBr(PPh3)3-catalyzed Huisgen reaction be-tween O-propargylated APAP and diverse organoazides prepared from commercially available anilines as available starting reagents. An interesting nitric oxide-releasing 1,2,3-triazole hybrid of APAP was also obtained easily using the developed method. The structures of the designed hybrid compounds, which are expected to be pharmacologically active, were fully characterized by FT-IR, 1H- and 13C-NMR and are reported for the first time. According to the in-silico studies performed in this work and literature analysis, these hybrids are interesting models in search of new pharmacological nontoxic agents endowed with anti-inflammatory and anticancer properties.

Information regarding physiological and molecular plant responses to the treatment with new biofertilizers is limited. In this study a fast-composting soil amendment (FCA), obtained from solid waste by means of a Fenton reaction, was tested to evaluate the effects on the growth of Lactuca sativa L. var. longifolia seedlings. Growth rate, leaves and roots biomass, chlorophyll concentration and total soluble proteins of seedlings treated with the 2% FCA soil amendment showed significant increase in comparison with control seedlings. Leaf proteomic analysis revealed that the FCA soil amendment induced the up-regulation of proteins belonging to photosynthesis machinery, carbohydrate metabolism and promoted the up-regulation of the water stress response. Root proteomics indicated that FCA strongly induced the organs morphogenesis and developments; root cap development, lateral root formation, post-embryonic root morphogenesis were the main biological processes enriched by the treatment. Overall, our data suggest that addition of FCA formulation to the base soils might ameliorate plant growth by inducing carbohydrates primary metabolism and the differentiation of a robust root system.

Quantitative polymerase chain reaction (qPCR) has emerged as an important bioanalytical method for assessing the pharmacokinetics of human cell-based medicinal products after xenotransplantation into immunodeficient mice. A particular challenge in bioanalytical qPCR studies is that the different tissues of the host organism can affect amplification efficiency and amplicon detection to varying degrees, and ignoring these matrix effects can easily cause a significant underestimation of the true number of target cells in a sample. Here we describe the development and drug regulatory-compliant validation of a TaqMan® qPCR assay for quantification of mesenchymal stromal cells in the range of 125 to 20,000 cells/200 µl lysate by amplification of a human-specific, highly repetitive αsatellite DNA sequence of the chromosome 17 centromere region HSSATA17. Assessment of matrix effects in 14 different mouse tissues and blood revealed a wide range of spike recovery rates across the different tissue types from 11 to 174%. Based on these observations, we propose to perform systematic spike-and-recovery experiments during assay validation and to correct for the effects of the different tissue matrices on cell quantification in subsequent bioanalytical studies by multiplying the back-calculated cell number by tissue-specific factors derived from the inverse of the validated percent recovery rate.

Oxygen evolution reaction is a momentous part of electrochemical energy storage and conversion devices such as rechargeable metal-air batteries. It is particularly urgent to develop low-cost and efficient electrocatalysts for oxygen evolution reactions. As a potential substitute for noble metal electrocatalysts, transition metal selenides are still challenging in improving the activity of oxygen evolution reaction and the research of reaction intermediates. In this study, a simple one-step solvothermal method was used to prepare a polymetallic compound carbon matrix composite (Co9Se8/Ni3Se4/Fe3O4@C) with a multilayered nanosheets structure. It exhibited good OER activity in an alkaline electrolyte solution with an overpotential of 268 mV at 10 mA/cm2 in an alkaline medium. Besides, this catalyst also showed excellent performance in the 24 hours stability test. The composite presents a multi-layer sheet structure, which effectively improves the contact between the active site and the electrolyte. The selenide formed by Ni and Co has a synergistic effect, Fe3O4 and Co9Se8 form a heterojunction structure, which can effectively improve the reaction activity by initiating the electronic coupling effect through the interface modification. In addition, carbon quantum dots have rich heteroatoms and electron transferability, which improves the electrochemical properties of the composites. This work provides a new strategy for the preparation of highly efficient OER electrocatalysts utilizing the multimetal synergistic effect.

The synthesis 2-tert-butyl-4-methylphenol is of great significance because of its widely application in industry, and the development of highly efficient catalyst is necessary to the alkylation of p-cresol and tert-butyl alcohol. Here, an efficient and mild method was established, caprolactam was chosen as hydrogen-bonding acceptor, p-toluenesulfonic acid was employed as hydrogen-bonding donor, and deep eutectic solvent (DES) was prepared to catalyze the alkylation reaction. The structure of the DES catalyst was characterized by 1H NMR spectra, thermogravimetric analysis and fourier transform infrared spectra (FT-IR). In addition, response surface design based on Box-Behnken method was employed to optimize the alkylation reaction process parameters, the study of reaction kinetics was also carried out subsequently. The recycle performance of the catalyst was evaluated by recovery experiments, and a good result was obtained. Comparing with the literature reported, we here provide a mild method to the synthesis of 2-tert-butyl-4-methylphenol.

The hydrogenation of CO2 is a reaction of key technological and environmental importance, as it contributes to the sustainable production of fuels while assisting in the reduction of a major greenhouse gas. The reaction has been studied extensively in the literature, with noble metal catalysts receiving significant attention within the catalysis and electrocatalysis communities. In this respect, the Electrochemical Promotion of Catalysis (EPOC) has been applied successfully to the CO2 hydrogenation reaction to improve the catalytic activity and selectivity of conductive films supported on solid electrolytes. However, designing an effective electrocatalytic reactor remains a challenge due to the connections required between the electrodes and the external potentiostat/galvanostat. This drawback could be alleviated if the catalytic reaction occurs in a reactor that simultaneously operates as a power generator. In this work, the Electrochemical Promotion of the CO2 hydrogenation reaction in a low temperature solid oxide fuel cell (SOFC) reactor is studied using yttria-stabilized zirconia (YSZ) and a platinum (Pt) catalyst. The system has been studied in two distinct operation modes: (i) when the necessary energy for the electrochemical promotion is produced through the parallel reaction of H2 oxidation (galvanic operation) and (ii) when a galvanostat/potentiostat is used to impose the necessary potential (electrolytic operation).

Melting phase relations of the diamond-forming system olivine (Ol) – jadeite (Jd) – diopside (Di) – (Mg, Fe, Ca, Na)-carbonates (Carb*) – (C-O-H-fluid) are studied in experiments at 6.0 GPa in the polythermal section Ol74Carb*18.5(C-O-H)7.5 - Omp74Carb*18.5(C-O-H)7.5, where Ol = Fo80Fa20, Omp (omphacite) = Jd62Di38 and Carb* = (MgCO3)25(FeCO3)25(CaCO3)25(Na2CO3)25. Peritectic reaction of olivine and jadeite-bearing melt with formation of garnet has been determined as a physico-chemical mechanism of ultrabasiс-basiс evolution of the diamond-forming system. In the process CO2-component of the supercritical C-O-H-fluid can react with silicate components to form additional carbonates of Mg, Fe, Ca and Na. Solidus temperature of the diamond-forming system is depressed to 1000-1020°C by joint effect of the H2O-fluid and carbonate constituents thereof. The experimentally recognized peritectic mechanism of ultrabasiс-basiс evolution of the diamond-forming system explains the origin of the associated paragenetic inclusions of peridotite and eclogite minerals in diamonds as well as the xenoliths of diamond-bearing peridotites and eclogites of the kimberlitic deposits of diamond. The diamond-forming systems have formed with the use of material of the upper mantle native peridotite rocks. In this case the capacity of the rocks to run the peritectic reaction of olivine was transmitted with silicate components to the diamond-forming systems.

Biomimetic N-acetylcysteamine thioesters are essential for the study of polyketide synthases, non-ribosomal peptide synthetases and fatty acid synthases. The chemistry for their preparation is however limited by their specific functionalization and their susceptibility to undesired side reactions. This is especially detrimental to transition metal-catalyzed reactions. Here we report a method for the rapid preparation of N-acetylcysteamine (SNAC) 7-hydroxy-2-enethioates, which are suitable for the study of various enzymatic domains of megasynthase enzymes, particularly oxygen heterocycle-forming cyclase domains. The method is based on a one-pot sequence of hy-droboration and Suzuki-Miyaura reaction. Optimization of the reaction conditions made it possi-ble to suppress potential side reactions and to introduce the highly functionalized SNAC meth-acrylate unit in high yield. The versatility of the sequence was demonstrated on a dienal precur-sor, which was subjected to Brown crotylation followed by the hydroboration-Suzuki-Miyaura reaction sequence and deprotection, finally giving a complex polyketide SNAC thioester. Back-bone extension by six carbons and a terminal SNAC enethioate was achieved, introducing an E-configured double bond and two adjacent stereocenters in a highly selective manner. The pre-sented method allows for the synthesis of the target motif in significantly fewer steps and with higher overall yield than previously described approaches, while maintaining higher flexibility and control over the stereogenic elements. It is also the first reported example of a transition met-al-catalyzed cross-coupling reaction in the presence of an SNAC thioester.

The reckless use of non-replenishable fuels by the growing population for energy and the resultant incessant emission of hazardous gases and waste products into the atmosphere insisted scientists to fabricate materials capable of managing these global threats at once. In recent studies, photo-catalysis employed focus on utilizing renewable solar energy to initiate chemical processes with the aid of semiconductors and highly selective catalysts. A wide range of nanoparticles have showcased promising photocatalytic properties. Ultrasmall metal nanoclusters (MNCs) with sizes below 2 nm, stabilized by ligands shows discrete energy levels, exhibits unique optoelectronic properties which are vital to photocatalysis. In this review, we intend to compile information on varying photocatalytic efficiency of metal NCs with respect to changes in their properties. Review discusses about the photocatalytic activity of atomically precise ligand-protected MNCs and its hybrids in the domain of in energy conversion processes like photodegradation of dyes, Oxygen Evolution Reaction (ORR), Hydrogen Evolution Reaction (HER) and CO2 Reduction Reaction (CO2RR), and photosensitizer in solar cell.

Starting from acid chlorides, alkynes, tryptamines, and acroyl chloride, 21 densely substituted tetrahydro-beta-carbolines are prepared in a four-component one-pot reaction. In this study, the aza-Michael addition step to generate intermediate enaminones is optimized in the presence of ytterbium triflate. Moreover, apart from acroyl chloride, all reactants can be deployed in almost equimolar ratios, which increases the atom economy of the sequence. For mechanistic rationali-zation, the concluding aza-anellation was investigated by DFT calculations on potential inter-mediates and corresponding activation energies, revealing that the aza-anellation rather pro-ceeds via ene-reaction than via electrocyclization.

The poor conductivity and instability of layered dihydroxides (LDHs) limit their widespread application in oxygen evolution reaction (OER). In this study, the composite electrode of NiMn-LDHs, reduced graphene oxide (rGO) and nickel foam (NF), i.e., NiMn-LDHs/rGO/NF, was prepared by a hydrothermal method. When subjected to oxygen evolution reaction (OER) catalytic performance in a solution of 1 M KOH, the NiMn-LDHs/rGO/NF composite catalyst exhibited an overpotential of only 140 mV at a current density of 10 mA cm-2 and a Tafel slope of 49 mV dec-1, which is not only better than the comparing RuO2/NF catalyst, but also better than most of the Mn-based and the Ni–Fe containing bimetallic OER catalysts reported in the literature. The excellent electrocatalytic performance is ascribed to the efficient integration of ultrathin NiMn-LDHs sheets, thin-layered rGO and NF, contributing a lot to the decrease in charge transfer resistance and the increase in electrochemically active surface area. Moreover, NF plays a role of current collector and a role of rigid support for the NiMn-LDHs/rGO composite, contributing extra conductivity and stability to the NiMn-LDHs/rGO/NF composite electrode.

It is at the chemistry-biology interface that this work that we have carried out takes place. Indeed, the expected goal is to develop simple molecules, capable of activating the catalytic action of certain metalloenzymes such as tyrosinase. The official name of an enzyme includes the type of reaction catalyzed, the name of the substrates involved. In this work, we carried out the study of the catalytic activity of the complexes of organotin carboxylates synthesized vis-à-vis the oxidation of 3,5-di-tert-butylcatecchol. The results obtained show that the various complexes exhibit good catalytic activity for the oxidation of 3,5-di-tert-butylcatecchol under mild conditions. The complexes that showed good catalytic activity are the compounds C1 and C2.

Cisplatin (CDDP) is a platinum-based drug effective against various cancers, including lung, bladder, prostate, ovarian, esophageal, stomach, and cervical cancer and malignant lymphoma. It plays a central role as the first choice in current anticancer therapy. However, CDDP causes serious side effects, such as neurological disorders, myelosuppression, and renal damage, because it is a small molecule indiscriminately distributed in normal tissues. Therefore, it is very important to prevent or attenuate CDDP toxicity. We hypothesized that liposomalization of CDDP could alleviate serious side effects. Therefore, this study aimed to evaluate the safety and efficacy of CDDP liposomes. A patient with multiple recurrent liver metastases from metastatic nasal carcinoma was administered CDDP liposomes with consent. Magnetic resonance imaging showed that the patient remained stable-diseased; however, no apparent side effects were observed, and blood draw data showed no worsening of renal function. Patients undergoing partial pancreatectomy and jejunoileal biliary anastomosis for biliary tract cancer who consented to receive CDDP liposomes demonstrated a partial response on angiographic computed tomography; however, they showed slight fatigue. To our knowledge, the present study is the first in Japan to suggest that liposomalization of CDDP may have anticancer effects while alleviating renal damage and bone marrow suppression.

Metal-organic frameworks (MOFs) are investigated for the oxygen evolution reaction (OER) due to their structure diversity, high specific surface area, adjustable pore size and abundant active sites. However, the poor conductivity of most MOFs restricts this application. Herein, through a facile one-step solvothermal method, the Ni-based pillared metal-organic framework [Ni2(BDC)2DABCO] (BDC = 1,4-benzenedicarboxylate, DABCO = 1,4-diazabicyclo[2.2.2]octane), its bimetallic nickel-iron form [Ni(Fe)(BDC)2DABCO] and their modified Ketjenblack (mKB) composites were synthesized and tested towards OER in an alkaline medium (KOH 1 mol L–1). A synergistic effect of the bimetallic nickel-iron MOF and the conductive mKB additive enhance the catalytic activity of the MOF/mKB composites. All MOF/mKB composite samples (7, 14, 22, 34 wt.% mKB) indicated much higher OER performances than the MOFs and mKB alone. The Ni-MOF/mKB14 composite (14 wt. % of mKB) demonstrated an overpotential of 294 mV at a current density of 10 mA cm–2 and Tafel slope of 32 mV dec–1, which is comparable with commercial RuO2 commonly used as a benchmark material for OER. The catalytic performance of Ni(Fe)MOF/mKB14 (0.57 wt% Fe) was improved further to an overpotential of 279 mV at a current density of 10 mA cm–2. The low Tafel slope of 25 mV dec–1 as well as a low reaction resistance due to electrochemical impedance spectroscopy (EIS) measurement confirm the excellent OER performance of the Ni(Fe)MOF/mKB14 composite. For practical applications, the Ni(Fe)MOF/mKB14 electrocatalyst was impregnated into commercial nickel foam (NF), where overpotentials of 247 and 291 mV at current densities of 10 and 50 mA cm–2, respectively, were realized. The activity was maintained for 30 h at the applied current density of 50 mA cm–2. The electrocatalytic system consisting of earth-abundant Ni and Fe metals only would be attractive for the development of efficient, practical and economical energy conversion materials for efficient OER activity.

The present work aims to explain the aluminum hydrolysis reaction kinetics based on properly chosen theoretical model with machined aluminum waste chips and alkali solutions up to 1M as a promoter, and to estimate overall reaction profit. In order to obtain results of better accuracy, we work with flat Al waste chips because a flat surface is preferable to maximally increase the time for created hydrogen bubbles to reach the critical gas pressure. At describing the reaction kinetics, flat shape allows using a planar one-dimensional shrinking core model instead of much complicated polydisperse spheric shrinking core model. We analyze the surface chemical reaction and mass transfer rate steps to obtain the first order rate constant for surface reaction and the diffusion coefficient of aqueous reactant in the byproduct layer, respectively. With our reactor we achieved H2 yield of 1145 mL per 1 g Al with 1M NaOH, which is 92% of the theoretical maximum. At estimation of the profit, we pay much attention to the loss of alkaline and find a crucial dependence on its price. Nevertheless, in terms of consumed and originated materials for sale, conversion of the aluminum waste material into green hydrogen by properly chosen reaction parameters has a positive profit even by consuming alkali of chemical grade.

Different inlet structures have a significant impact on the internal flow characteristics of a solid-magnesium powder water ramjet engine. Based on the magnesium-water reaction model, a computational fluid dynamics (CFD) method is applied to establish a numerical simulation method for the internal flow field of the engine, and the internal flow characteristics of the engine under different inlet structure conditions are studied. The simulation results show that high-temperature gas can effectively promote the ignition of magnesium powder at the top of the combustion chamber, while accelerating the evaporation of the first inlet water and increasing the combustion rate of magnesium powder. The secondary inlet has the most significant effect on the temperature inside the combustion chamber. When the secondary inlet flow rate increases towards the top of the combustion chamber, it increases the amount of heat absorbed by the evaporating water at the top of the chamber, thereby reducing the temperature at the top of the combustion chamber. However, when the flow rate is low, it results in insufficient oxidizer at the top of the combustion chamber, which is unfavorable for the combustion of magnesium powder.

The present work is a numerical simulation of velocity and mixture fraction fields in a turbulent non-reaction Propane jet flow issuing into parallel co-flowing air, in isothermal condition which has been experimentally described here: http://www.sandia.gov/TNF/DataArch/ProJet.html. The objective is a better understanding of the flow structure and mixing process, a situation in which there is no chemical interaction and heat-transfer. The two-equation Realizable k-ε eddy viscosity turbulence model has been used to simulate the turbulent flow field on a 2D plane (i.e., on a 5-degree sector of the experimental domain), because Realizable k-ε more accurately predicts the spreading rate of both planar and round jets and presents the best proficiency in comparison with all versions of the k-ε models. Afterward, axial and radial profiles of mean velocities, turbulence energy, mean mixture fraction, the mixture fraction half radius (Lf), and the mass flux diagram have been numerically elicited for grid independent mesh (mesh B) and compared with corresponding experimental data to assess the numerical model. To obtain turbulence kinetic energy, k, due to lack of w' in the experimental data, the assumption of w'=v' seems to be valid. Simulations have demonstrated that mean mixture fraction (at radial profiles at locations x/D=0, 4, 15, 30 and 50) and its half radius, Lf, which characterizes jet width expanse, are prominently well-captured; Moreover, mean vertical velocity fields (in X-direction: Umean) have revealed less accuracy but still conspicuously well-captured. However, mean vertical velocity fields (in Y-direction: Vmean) have disclosed less resolution; Likewise, turbulence kinetic energy, k, have manifested moderate accuracy (between Umean and Vmean). It should be noticed that although numerical results for absolute pressure, p, have been obtained on aforementioned sections, there were no experimental data to compare with them. Thus, the corresponding numerical data has not been demonstrated in this study.

In this paper a combined Laplace transform (LT) and boundary element method (BEM) is used to find numerical solutions to problems of anisotropic functionally graded media which are governed by the transient diffusion-convection-reaction equation. First, the variable coefficients governing equation is reduced to a constant coefficients equation. Then, the Laplace-transformed constant coefficients equation is transformed a boundary-only integral equation. Using a BEM, the numerical solutions in the frame of Laplace transform may then be obtained from this integral equation. Then the solutions are inversely transformed numerically using the Stehfest formula. Some problems considered are those of compressible or incompressible flow, and of media which are quadratically, exponentially and trigonometrically graded materials. The results obtained show that the analysis used to transform the variable coefficients equation into the constant coefficients equation is valid, and the mixed LT-BEM is easy to implement for obtaining the numerical solutions. The numerical solutions are verified by showing their accuracy and steady state. For symmetric problems, the symmetry of solutions is also justified. Moreover, the effect of the anisotropy and inhomogeneity of the material on the solutions are also shown, as to suggest that it is important to take the anisotropy and inhomogeneity into account when doing experimental studies.

Pathogen-host interaction (virus-host, bacteria-host and fungi-host) is analyzed from the perspective of biothermodynamics. A mechanistic model of pathogen-host interactions, which was earlier applied to virus-host interactions, was applied for the first time to bacteria-host and fungi-host interactions. Through a mechanistic model suggested in this research, it is possible to explain the phenomenon of tropism of microorganisms to develop infections in certain tissues. Gibbs energy of biosynthesis represents the driving force for growth of bacteria inside host organisms. A growing bacterial colony represents a thermodynamic system, while the host organism is its surroundings. The permissiveness coefficient determines the possibility of growth of bacteria in an appropriate environment (tissue).

Adaptive Cruise Control (ACC) is useful in the most dangerous maneuvers such as braking and acceleration. This study assesses how ACC modifies traffic flows by analysing the differences be-tween manual and autonomous driving in connected and autonomous vehicles (CAVs). Using a platoon of 80 vehicles, tested in pairs on the road, it was possible to define the speed trends during braking and acceleration and the reaction times to the driving maneuvers (PRT, TH, TCC) with a kinematic data detector. The interactions between the CAV and the driver, have been studied in-novatively, i.e through gaze analysis. Situations of potential danger, characterized by the braking of the vehicle that precedes the car with the driver equipped with the eye tracker tool, have been recreated, considering the influence of the driver’s ACC experience. Results statistically confirmed that with the ACC switched on the reaction times are greater than manual driving (2.4/3.8 sec); this can lead to a reduction in road safety, further motivated by the rapid decrease in speed. The interpolation between automated and human data, finally, has allowed the detection of some criticalities of the system that are fundamental in order to reach the second level of automation.

Controlling the selectivity of detonation initiation reaction of explosive is a Holy Grail, and it seems to be an “idiot's daydream”, by strengthening external electric field, to reduce the explosive sensitivity. The effects of external electric fields on the initiation reactions in NH2NO2∙∙∙NH3, a model system of the nitroamine explosive with alkaline additive, were investigated at the MP2/6-311++G(2d,p) and CCSD/6-311++G(2d,p) level. The concerted effect in the intermolecular hydrogen exchange is characterized by an index of the imaginary vibrations. Due to the weakened concerted effects by the electric field along the −x-direction opposite to the “reaction axis”, the dominant reaction changes from the hydrogen exchange to 1,3-intramolecular hydrogen transference with the increase of the field strengths. Furthermore, the stronger the field strengths, the higher the barrier heights become, indicating the lower sensitivities. Therefore, by strengthening the field strength and adjusting the orientation between the field and “reaction axis”, not only can the reaction selectivity be controlled, but also the sensitivity can be reduced, in particular under a super-strong field. Thus, a traditional concept, which the explosive is dangerous under the super-strong external electric field, is broken theoretically. Compared to the neutral medium, the low sensitivity of the explosive with alkaline can be achieved under the stronger field. Employing atoms in molecules, reduced density gradient and surface electrostatic potentials, the origin of the reaction selectivity and sensitivity change is revealed. This work provides a new idea to the technical improvement for adding the external electric field into the explosive system.

To investigate the process and chemistry of reaction zone formation, we conducted detailed petrographic observations and major-trace element analysis of rocks and minerals of lherzolite xenoliths from basanites of Tumusun volcano (Baikal Rift Zone). The reaction zones gradually disappear from contact toward center of xenoliths. This indicates their formation as a result of lherzolite-basanite interaction. The influence of basanite melt on major-trace element composition of secondary minerals of reaction zones is notable only at distance up to 100-200 μm from the contact. The major-trace element composition of secondary clinopyroxenes from orthopyroxene reaction zone indicates their formation from a melt formed by dissolution of orthopyroxene and influenced by element diffusion from basanite melt. Inside xenoliths the secondary minerals have Mg# values equal to or higher than Mg# of primary minerals. The secondary clinopyroxenes inherit their depleted or enriched REE pattern from primary pyroxenes. The major-trace element variations in secondary clinopyroxenes testify melt heterogeneity. Secondary clinopyroxene has slightly higher LILE and similar abundances of other trace elements compared to unreacted part of clinopyroxene grain. This is consistent with model developed from experimental studies: due to the interaction with basanite, incongruent dissolution of orthopyroxene occurs to form a melt which circulates in lherzolite and leads to pyroxenes and spinel dissolution. Non-dissolved centers of minerals are homogenous and similar in major-trace element composition to primary minerals. The process of peridotite-basanite interaction is not isochemical: even the centers of large xenoliths become enriched in LILE.

Objective: This study assessed hearing aid benefits for people with a normal audiogram but hearing-in-noise problems in everyday listening situations. Design: Exploratory double-blinded case control study whereby participants completed retrospective questionnaires, ecological momentary assessments, speech-in-noise testing, and mental effort testing with and without hearing aids. Twenty-seven adults reporting speech-in-noise problems but normal air-conduction pure-tone audiometry took part in the study. They were randomly separated into an experimental group who trialled mild-gain hearing aids with advanced directional processing and a control group fitted with hearing aids with no gain or directionality. Results: Self-reports showed mild-gain hearing aids reduce hearing-in-noise difficulties and provide a better hearing experience (i.e., improved understanding, participation, and mood). Despite the self-reported benefits, the laboratory tests did not reveal a benefit from the mild-gain hearing aids, with no group differences on speech-in-noise tests or mental effort measures. Further, participants found the elevated cost of hearing aids to be a barrier for their adoption. Conclusions: Hearing aids benefit the listening experience in some listening situations for people with normal audiogram who report hearing difficulties in noise. Decreasing the price of hearing aids may lead to greater accessibility to those seeking remediation for their communication needs.

Water splitting technology is an efficient approach to generate hydrogen (H2) energy, which can well address the problems of environmental deterioration and energy shortage, as well as establishment of a clean and sustainable hydrogen economy powered by renewable energy sources due to the green reaction of H2 with O2. While the efficiency of H2 production by water splitting technology is intimately related with the reactions on electrode. Nowadays, the efficient electrocatalysts in water splitting reactions are the precious metal-based materials, i.e., Pt/C, RuO2 and IrO2. Ni (Co, Fe)-based layered double hydroxides (LDH) 2D materials are the typical non-precious metal-based materials in water splitting with advantages of low cost, excellent electrocatalytic performance and simple preparation methods, which exhibits a great potential for the substitution for precious metal-based materials. This review summarizes the recent progress of Ni (Co, Fe)-based LDH 2D materials for water splitting, which mainly focuses on discussing and analyzing the different strategies to modify LDH materials towards high electrocatalytic performance. We also discuss the recent achievements including their electronic structure, electrocatalytic performance, catalytic center, preparation process and catalytic mechanism. Furthermore, the characterization progress in revealing electronic structure and catalytic mechanism of LDH is highlighted in this review. Finally, we put forward some future perspectives related to design and explore advanced LDH catalysts in water splitting.

COVID-19 is one of the deadliest respiratory diseases, and its emergence caught the pharmaceutical industry off guard. While vaccines have been rapidly developed, treatment options for infected people remain scarce, and COVID-19 poses a substantial global threat. This study presents a novel workflow to predict robust druggable targets against emerging RNA viruses using metabolic networks and information of the viral structure and its genome sequence. For this purpose, we implemented pymCADRE and PREDICATE to create tissue-specific metabolic models, construct viral biomass functions and predict host-based antiviral targets from more than one genome. We observed that pymCADRE reduces the computational time of flux variability analysis for internal optimizations. We applied these tools to create a new metabolic network of primary bronchial epithelial cells infected with SARS-CoV-2 and identified enzymatic reactions with inhibitory effects. The most promising reported targets were from the purine metabolism, while targeting the pyrimidine and carbohydrate metabolisms seemed to be promising approaches to enhance viral inhibition. Finally, we computationally tested the robustness of our targets in all known variants of concern, verifying our targets’ inhibitory effects. Since laboratory tests are time-consuming and involve complex readouts to track processes, our workflow focuses on metabolic fluxes within infected cells and is applicable for rapid hypothesis-driven identification of potentially exploitable antivirals concerning various viruses and host cell types.

The host-guest inclusion strategy has potential to surpass the limitations of energy density and suboptimal performances of single explosives. The guest molecules can not only enhance the detonation performance of host explosives but can also enhance their stability. Therefore, the deeply analysis the role of guest influence on the pyrolysis decomposition of the host-guest explosive is necessary. The whole decomposition reaction stage of CL-20/H2O, CL-20/CO2, CL-20/N2O, CL-20/NH2OH was calculated by ReaxFF-MD. The incorporation of CO2, N2O and NH2OH significantly increase the energy levels of CL-20. However, different guest has little influence on the initial decomposition paths of CL-20. The Ea1 and Ea2 values of CL-20/CO2, CL-20/N2O, CL-20/NH2OH systems are higher than the CL-20/H2O system. Clearly, incorporation of CO2, N2O, NH2OH can inhibit the initial decomposition and intermediate decomposition stage of CL-20/H2O. Guest molecules get heavily involved in the reaction and influence on the reaction rate. k1 of CL-20/N2O and CL-20/NH2OH systems are significantly larger than that of CL-20/H2O at high temperatures. k1 of CL-20/CO2 system is much complex, which can be affected deeply by temperatures. k2 of CL-20/CO2, CL-20/N2O system is significantly smaller than that of CL-20/H2O at high temperatures. k2 of CL-20/NH2OH system is little difference at high temperatures. For the CL-20/CO2 system, the k3 value of CO2 is slight higher than that for CL-20/H2O, CL-20/N2O, CL-20/NH2OH systems, while the k3 values of N2 and H2O are slight smaller than that for CL-20/H2O, CL-20/N2O, CL-20/NH2OH systems. For the CL-20/N2O system, the k3 value of CO2 is slight smaller than that for CL-20/H2O, CL-20/CO2, CL-20/NH2OH systems. For the CL-20/NH2OH system, the k3 value of H2O is slight larger than that for CL-20/H2O, CL-20/CO2, CL-20/N2O systems. These mechanisms revealed that CO2, N2O and NH2OH molecules inhibit the early stages of the initial decomposition of CL-20, and play an important role for the decomposition subsequently.

Nickel foam substrates are frequently utilised for renewable energy applications as porous 3D-substrates. Preparation of these substrates usually includes an acid washing step, however the degree to which this step affects the final electrochemical performance after spray coating a catalyst ink is unreported. Herein, we report the effect of acid washing through physicochemical and electrochemical characterisation. The electrochemical performance was determined by repeated measurements of catalyst-coated nickel foam substrates both with and without the initial step of acid washing. Acid washing increased current density by 17.9% for the acid treated, MoS2-coated nickel foam electrode. This increment was affiliated with an electrochemically active surface area which increased by 87.1%, where Tafel analysis indicated that the acid treated, MoS2-coated electrodes facilitates the initial water dissociation step of the hydrogen evolution reaction with greater ease. Similar effects were also discovered for acid treated PtIr(1:3)/C-coated nickel foam substrates, albeit with less pronounced effects. Stability was also improved where the degradation rate was reduced by 18.9% for the acid treated, MoS2-coated electrodes. This proves the utility of acid washing nickel foam electrodes.

Personal Mobility Vehicle (PMV) which has an inward tilting angle turns with the lateral force due to large camber angle, so it is necessary to consider the lateral movement of the tire vertical load axis during turning. Although the steering torque mechanism are very different from those of automobiles, there are not many examples which studied the steering torque mechanism of PMV. In this paper, based on the effects of six components force acting on the tires, a method for setting the steering axis specifications is derived, including the geometrical minimization of steering moment disturbance due to the vertical load reaction force during turning. Although, automobile tires have a significant ground camber angle when traveling on rutted roads, they do not have it on slant roads because the vehicle body tilts along the road surface. On the other hand, in PMV, the vehicle body always keeps upright when traveling both on slanted roads and on rutted roads. Therefore, the tires have ground camber angles on both types of road surface. We study the straight running ability under such road surface disturbances based on the geometrical minimization of steering moment disturbance due to the vertical load reaction force during turning. This straight running ability can be a remarkable strong point of PMV with an inward tilt mechanism.

New fluorinated pentaphene derivative has been obtained as a potential precursor for fluorinated polycyclic aromatic hydrocarbons. In this work 7,7-difluoropentaphen-6(7H)-one was prepared from 1,1-difluoroanthracen-2(1H)-one via Diels-Alder reaction with o-quinodimethane generated in situ from o-bis(dibromomethyl)benzene. The structure of newly synthesized compound was confirmed by 1H, 13C, 19F NMR, IR and UV/Vis spectroscopy as well as high-resolution mass spectrometry.

The requirements for efficient replacement of fossil fuel, combined with the growing energy crisis, put hydrogen production into focus. Efficient and cost-effective electrocatalysts are needed for H2 production, and novel strategies for their discovery must be developed. Here we utilized Kinetic Monte Carlo (KMC) simulations to demonstrate that hydrogen evolution reaction (HER) can be boosted via hydrogen spillover to the support when the catalyst surface is largely covered by adsorbed hydrogen under operating conditions. Based on the insights from KMC, we synthesized a series of reduced graphene oxide-supported catalysts and compared their activities towards HER in alkaline media with that of corresponding pure metals. For Ag, Au, and Zn, the support effect is negative, but for Pt, Pd, Fe, Co, and Ni, the presence of the support enhances HER activity. The HER volcano, constructed using calculated hydrogen binding energies and measured HER activities, shows a positive shift of the strong binding branch. This work demonstrates the possibilities of metal|support interface engineering for producing effective HER catalysts and provides general guidelines for choosing novel catalyst-support combinations for electrocatalytic hydrogen production.

A key in controlling the SARS-CoV-2 pandemic is the assessment of the immune status of the population. We explored the utility of SARS-CoV-2 virus-like particles (VLPs) as antigens to detect specific humoral immune reactions in an enzyme-linked immunosorbent assay (ELISA). For this purpose, SARS-CoV-2 VLPs were produced from an engineered cell line and characterized by western blot, ELISA and nanoparticle tracking analysis. Subsequently, we collected 42 serum samples from before the pandemic (2014), 89 samples from healthy-, and 38 samples from vaccinated subjects. Seventeen samples were collected less than three weeks after infection, and 44 samples more than three weeks after infection. All serum samples were characterized for their reactivity with VLPs and the SARS-CoV-2 N- and S-protein. Finally, we compared the performance of the VLP-based ELISA with a certified in vitro diagnostic device (IVD). In the applied set of samples, we determined a sensitivity of 95.5 % and a specificity of 100 % for the certified IVD. There were 7 samples with an uncertain outcome. Our VLP-ELISA showed superior performance with a sensitivity of 97.5 %, a specificity of 100 %, and only 3 uncertain outcomes. This result warrants further research to develop a certified IVD based on SARS-CoV-2 VLPs as an antigen.

As the global energy crisis continues, efficient hydrogen production is one of the hottest topics these days. In this sense, establishing catalytic trends for hydrogen production is essential for choosing proper H2 generation technology and catalytic material. Volcano plots for hydrogen evolution in acidic media are well-known, while volcano plot in alkaline media was constructed ten years ago using theoretically calculated hydrogen binding energies. Here we show for the first time that the volcano-type relationships are largely maintained in a wide range of pH values, from acidic to neutral and alkaline solutions, using theoretically calculated hydrogen binding energies on clean metallic surfaces and experimentally measured hydrogen evolution overpotentials. If metallic surfaces are exposed to high anodic potentials, hydrogen evolution can be boosted or significantly impeded, depending on the metal and the electrolyte in which the reaction occurs. Such effects are discussed here and can be used to properly tailor catalytic materials for hydrogen production via different water electrolysis technologies.

Proton exchange membrane water electrolyzers (PEMWEs) for water electrolysis have received tremendous attention due to their immediate response, high proton conductivity, low ohmic losses and gas crossover rate. However, design high activity, economical and long-term durable electrocatalysts in an acidic environment is still the bottleneck to realize the large-scale commercialization of PEMWEs. Iridium-based materials represent one of the most promising classes of oxygen evolution reaction (OER) catalysts due to their intrinsic stability in acid media over ruthenium-based counterparts. However, only a few innovative approaches have been developed to synthesizing iridium-based catalysts (IBCs) in the past decade, mainly due to achieving high activity may deteriorate the stability of IBCs. Accordingly, various engineering strategies of optimizing IBCs have been proposed to address this issue, including doping engineering, morphology engineering, crystal phase engineering and support engineering. Herein, a critical overview focusing on various synthesis and modulation strategies of IBCs is presented, based on an in-depth understanding of the relationship between electronic structures, charge redistribution and activity as well as stability of the electrocatalysts. In addition, the unprecedented achievements in PEMWEs are summarized. The reaction mechanisms and future perspectives are critically discussed to inspire more rational design of IBCs toward practical applications.

(1)Aims of the study: calculating the underreporting ratio for two different medications, a fixed combination of 0.5% timolol + 0.2% brimonidine + 2.0% dorzolamide (antiglaucoma) and a fixed combination of sodium hyaluronate 0.1% + chondroitin sulfate 0.18% (artificial tear) and characterizing the features influencing the reporting of adverse drug reactions (ADRs) in spontaneous reporting; (2) Methods: the underreporting ratio was calculated by comparing the adverse drug reactions reported in the spontaneous reporting database for every 10,000 defined daily doses marketed and the adverse drug reactions from an active surveillance study for every 10,000 defined daily doses used for different drugs (antiglaucoma and artificial tear). The factors related to the report in spontaneous reporting through statistical tests were also determined; (3) Results: The underreporting ratio of spontaneous reporting was 0.006029% for antiglaucoma and 0.003552% for artificial tear; additionally, statistically significant differences were found for severity, unexpected adverse drug reactions, and incidence of adverse drug reactions in females; (4) Conclusions: The underreporting ratio of ADRs related to ophthalmic medications indicates worry since the cornerstone of pharmacovigilance focuses on spontaneous reporting. Besides, since underreporting seems to be selective, the role of certain aspects like gender, seriousness, severity, and unexpected ADRs, must be considered in future research.

Controlling and understanding Cu-catalyzed homocoupling reaction is crucial to prompt the development of efficient Cu-catalyzed cross-coupling reactions. The presence of a coordinating base (hydroxide, methoxide) enables the B-to-Cu(II) transmetalation from aryl boronic acid to CuIICl2 in methanol, through formation of a mixed Cu-(μ-OH)-B intermediates. A second B-to-Cu transmetalation to form bis-aryl Cu(II) complexes is disfavored. Instead, organocopper(II) dimers undergo a coupled transmetalation-electron-transfer (TET) allowing the formation of a bis-organocopper(III) complexes readily promoting reductive elimination. Based on this mechanism some guidelines are suggested to control the undesired formation of homocoupling product in Cu-catalyzed cross-coupling reactions.

This work presents a nonlinear model predictive control scheme that challenges overcoming the obstacles holding back over decades to develop affordable autonomous control and monitoring systems applied in the large-scale industry. Among the numerous proposals in the literature, most do not consider the significant fluctuation of kinetic parameters in the reduced mathematical model ADM2, widely used for control and monitoring purposes. The prevalent cause, on a basis, is the lack of information caused by some dynamics and parameters that cannot be measured in real-time by reliable sensors. In addition, to make matters worse, those systems inherently act with nonlinear nature and have a high sensitiveness to uncontrollable inputs and perturbations. Therefore, to prevent these drawbacks, this work proposes a new methodology that reconstructs the lack of information from the non-measurable dynamics, concentration of bacterias, and the kinetic parameters related to reaction rates. Simulations results demonstrate the effectiveness of the methodology compared with traditional industrial control schemes.

This work presents a methodology that seeks to be a new standard in modeling identification in anaerobic digestion reactors. Because it is not possible to measure all variables with reliable and cost-efficient real-time methods, a specific structure composed of an asymptotic observer for the concentration of state variables; acidogenic and methanogenic bacterias, unlock the use of new types of raw sludges for industrial control and monitoring purposes. New yield parameters were included in the reduced anaerobic digestion model (ADM2) used as the core, precisely two terms in total alkalinity, to bring about the modeling of additional organic materials at inlet containing proteins or amino acids. The fermentation of these substances introduces ammonium, providing variations in the amount of alkalinity available inside the reaction. The new model is used to solve an optimization problem that calculates the parameters that best fit the dynamics of state variables with the same information taken on the experimental data. The adjustment process started with the genetic algorithm; however, to improve the performance, a novel method is proposed called step-ahead. Together, including the design of an asymptotic observer, numerical simulations demonstrate the strengths of the structure, which constitutes a significant step in paving the way further to implement feasible, cost-effective control and monitoring systems in the industry.

Background: Coronavirus disease (COVID-19) is an infectious disease caused by the SARS-CoV-2. In Colombia, many commercial methods are now available to perform the RT-qPCR assays, and the laboratories must evaluate its diagnostic accuracy to ensure reliable results to suspected COVID-19 patients. The purpose of the study was to compare four commercial RT-qPCR assays for detection of SARS-CoV2 virus, from nasopharyngeal swab samples referred to Laboratorio Carvajal IPS, SAS of Tunja, Boyacá - Colombia. Methods: This prospective study was conducted on 152 samples of respiratory tract samples (Nasopharyngeal Swab) from patients with suspected SARS-CoV-2 infection. Diagnostic accuracy of GeneFinderTM COVID-19 Plus RealAmp (In Vitro diagnostic), One-Step Real-Time RT-PCR (Vitro Master diagnostica), Berlin modified protocol and gold standard Berlin protocol (Berlin Charite Probe One-Step RT-qPCR Kit, New England Biolabs) as reference was assessed. Operational characteristics were estimated in terms of sensitivity, specificity, agreement, and predictive values. Results: Using Berlin Charite Probe One-Step RT-qPCR Kit as reference, the sensitivity/specificity for the diagnostic tests were found to be GeneFinderTM COVID-19 Plus RealAmp Kit 100%/92.7%, One-Step Real-Time RT-PCR, One-Step Real-Time RT-PCR 92.75%/67.47%, and Berlin modified protocol 100%/96.39%. The results of four commercially available methods were found to be consistent with those obtained from Berlin Modified protocol analysis for % of the samples and showed good agreement (κ= 0.96). Concordant SARS-CoV2 negative and positive RT-qPCR results were reported for xxx and xxx samples, respectively. Summarize something about the Ct. Conclusion: Our data demonstrate that all commercially available methods are rapid and reliable for the identification of SARS-CoV-2 virus associated with COVID-19. One-Step RT-qPCR Kit and GeneFinderTM COVID-19 Plus RealAmp assay show optimal sensitivity compared with Belin modified protocol. In addition, there is no significant correlation between xxxxx

3,4-Dihydro-2(1H)-pyridones (3,4-DHPo) and their derivatives are privileged structures present in natural products, which has been increased its relevance due to its biological activity in front of a broad range of targets, but especially for its importance as synthetic precursors of a variety of compounds with marked biological activity. Taking into account the large number of contributions published over the years regarding this kind of heterocycle, here we presented a current view of 3,4-dihydro-2(1H)-pyridones (3,4-DHPo), which include general aspects such as those related to nomenclature, synthesis, and biological activity; but also highlighting the importance of DHPo as building blocks of other relevance structures.

A right frontoparietal neoplastic lesion was found in a young-aged patient with analgesic refractory headache. Surgical resection was performed, and the pathologist analysis turned out a cellular ependymoma with signs of anaplasia. In the follow-up, a MRI showed a suspicious lesion, so a [18F]Fluorocholine PET/CT was performed. An increased uptake was described in the right parietal region on the margin of residual cystic lesion. The patient got a complete resection which was confirmed later by MR. In the pathology analysis, a focally congestive cerebral parenchyma with a central histiocytic reaction to foreign body area was described. Foreign body reaction in brain tissue is a very rare immune response that has not been well studied. Haemostatic material has been reported as a possible trigger of this response in other organs and could be detected by [18F]FDG PET/CT. Following the experience of the current case report, [18F]Fluorocholine PET/CT could also show a false positive related to foreign body reaction.

Background: Wolbachia sp. is an endosymbiotic bacterium that is widespread among arthropods and filarial nematodes. It affects the fertility and maturation of its arthropod hosts, which in some cases are vectors of infectious diseases of humans and animals. Acanthocheilonema reconditum is a canine filarial nematode, which can eventually infect humans through arthropods. An outbreak of A. reconditum has been reported recently in dogs in the southwest of Colombia, specifically in Cali. In addition, Wolbachia sp. is currently used for the biological control of the mosquito Aedes egypti in cities in the north and south-west of Colombia. Aedes egypti is a vector of dengue fever, a major public health disease in tropical and subtropical areas of the world. The objectives of this study were to detect Wolbachia sp. in mosquito and flea samples collected from dogs in southwestern Colombia and to determine the co-infection of Wolbachia sp. and A. reconditum in the recent outbreak of canine filariasis in Santiago de Cali. Methods: A total of 18 mosquitoes of the genera Aedes and Culex and 18 Ctenocephalides felis fleas were collected in Santiago de Cali and nearby municipalities. DNA was extracted and 16S rRNA and ftsZ gene fragments were identified using conventional and nested polymerase chain reaction. In addition, the presence of Wolbachia sp. was analyzed in 55 cases positive for A. reconditum previously detected in the city, using the same molecular techniques. Results: From the analysis of 18 mosquitoes and 18 fleas, using molecular techniques based on the 16S rRNA and ftsZ genes, Wolbachia sp. was detected in all the arthropods analyzed. Wolbachia sp. was not detected in the samples obtained from dogs infected with A. reconditum. Conclusions: Molecular analyses were shown to be effective for the identification of Wolbachia sp. in mosquitoes and fleas but not in samples positive for A. reconditum.

Powder mixture with given molar ratio Ca/P = 1.67 consisting of brushite (calcium hydrophosphate dihydrate) CaHPO4·2H2O, calcium oxalate monohydrate CaC2O4·H2O in form of whewellite and weddellite and some quantity of quasi-amorphous phase was obtained as a result of the interaction of hydroxyapatite powder Ca10(PO4)6(OH)2 with an aqueous solution of oxalic acid H2C2O4 at a molar ratio of Ca10(PO4)6(OH)2/H2C2O4 = 1:4 under mechanical activation conditions. This powder mixture was used to produce microporous monophase ceramics based on hydroxyapatite Ca10(PO4)6(OH)2 with aperient density of 1.25 g/cm3 after firing at 1200 oC. Microporosity of sintered ceramics was formed due to presence of particles with plate-like morphology, restraining shrinkage during sintering. Microporous ceramics based on hydroxyapatite Ca10(PO4)6(OH)2 with roughness of the surface as a consequence of the created microporosity can be recommended as a biocompatible material for the bone defects treatment and as a substrate for bone cell cultivation.

In the present manuscript, we report new insights into the concept of (a)synchronicity in Diels-Alder (DA) reactions in the framework of the reaction force analysis, in conjunction with natural population calculations and atomic resolution of energy derivatives along the intrinsic reaction coordinate (IRC) path. Our findings suggest that the DA reaction transitions between a preferentially concerted mechanism to a stepwise one in a 0.10 Å window of synchronicity indices, ranging from 0.90 to 1.00 Å. We have also shown that the relative position of the global minimum of the reaction force constant with respect to the TS is an alternative and quantifiable indicator of the (a)synchronicity in DA reactions. Moreover, the atomic resolution of energy derivatives reveals that the mechanism of the DA reaction involves two inner elementary processes associated with the formation of each of the two C-C bonds. This resolution goes on to indicate that, in asynchronous reactions, the driving and retarding components of the reaction force are mostly due the fast and slow-forming C-C bonds (elementary process) respectively, while in synchronous ones both elementary processes retard and drive the process concomitantly and equivalently.

Recently, electrocatalysts for oxygen reduction reactions (ORRs) as well as oxygen evolution reactions (OERs) hinged on electrospun nanofiber composites have attracted wide research attention. Transition metal elements and heteroatomic doping are important methods used to enhance their catalytic performances. Lately, the construction of electrocatalysts based on metal-organic framework (MOF) electrospun nanofibers has become a research hotspot. In this work, bimetallic NixCoy-ZIF nanocrystals were synthesized in an aqueous solution, followed by NixCoy-ZIF/PAN electrospun nanofiber precursors, which were prepared by a simple electrospinning method. Bimetal (Ni-Co) porous carbon nanofiber catalysts doped with nitrogen, oxygen, and sulfur elements were obtained at high-temperature carbonization treatment in different atmospheres (Ar, Air, and H2S), respectively. The morphological properties, structures, and composition were characterized by SEM, TEM, SAED, XRD, and XPS. Also, the specific surface area of materials and their pore size distribution was characterized by BET. Linear sweep voltammetry curves investigated catalyst performances towards oxygen reduction and evolution reactions. Importantly, Ni1Co2-ZIFs/PAN-Ar yielded the best ORR activity, whereas Ni1Co1-ZIFs/PAN-Air exhibited the best OER performance. This work provides significant guidance for the preparation and characterization of multi-doped porous carbon nanofibers carbonized in different atmospheres.

There was a question on “how lanthanides doping in iron oxide affects cure kinetics of epoxy-based nanocomposites?” To answer, we synthesized samarium (Sm)-doped Fe3O4 nanoparticles via electrochemical method and characterized it using FTIR, XRD, FE-SEM, EDX, TEM, and XPS analyses. The magnetic particles were uniformly dispersed in epoxy resin to increase the curability of the epoxy/amine system. The effect of the lanthanide dopant on the curing reaction of epoxy with amine was explored by modeling DSC experimental data based on model-free methodology. It was found that Sm3+ in the structure of Fe3O4 crystal participates in cross-linking of epoxy by catalyzing the reaction between epoxide rings and amine groups of curing agents. In addition, the etherification reaction of active OH groups on the surface of nanoparticles reacts with epoxy rings which prolongs the reaction time at the late stage of reaction where diffusion is the dominant mechanism.

Compared with precious metal catalysts, non-platinum catalysts have the advantages of low cost and high performance. Among them, the activated carbon (AC) with a large specific surface area (SSA) can be used as a carrier or as a carbon source of nonprecious metal/carbon system catalyst at the same time. Therefore, this paper uses cheap pine peel bio-based materials to prepare large surface area activated carbon and then compound with cobalt phthalocyanine (CoPc) to obtain a high-performance cobalt/nitrogen/carbon catalyst. The merits include AC@CoPc composite catalysts are prepared by precisely controlling the composite proportion of AC and CoPc, the atomically dispersed Co nanoparticles form and synergistically with N promote the exposure of CoNx active sites, and the Eonset of the catalyst treated with a composite proportion of AC and CoPc of 1 to 2 at 800 °C (AC@CoPc-800-1-2) is 1.01 V, which is higher than Pt/C (20 wt%) catalyst. Apart from this, the stability is 87.8% in 0.1 M KOH after 20000 s testing in compared with other AC@CoPc series catalysts and Pt/C (20 wt%) catalyst. Considering from the performance and price of the catalyst in practical application, these composite catalysts combine biomass carbon materials with phthalocyanine series, which will be widely used in the area of nonprecious metal catalysts.

The steady-state, coupled heat and mass transfer from a fluid flow to a sphere accompanied by an exothermal catalytic chemical reaction on the surface of the sphere is analysed taking into consideration the effect of thermal radiation. The flow past the sphere is considered steady, laminar and incompressible. The radiative transfer is modeled by P₀ and P₁ approximations. The mathematical model equations were discretized by the finite difference method. The discrete equations were solved by the defect correction – multigrid method. The influence of thermal radiation on the sphere surface temperature, concentration and reaction rate was analysed for three parameter sets of the dimensionless reaction parameters. The numerical results show that only for very small values of the Prater number the effect of thermal radiation on the surface reaction is not significant.

In this paper, impulsive control on a single-species Markovian jumping ecosystem leads to a stability criterion, and the newly-obtained theorems improve the related existing results. Numerical examples illuminate the effectiveness.

Fractional differential equations have become a fundamental modelling approach for understanding and simulating the many aspects of nonlocality and spatial heterogeneity of complex materials and systems. Yet, while real-order fractional operators are nowadays widely adopted, little progress has been made in extending such operators to complex-order counterparts. In this work, we introduce new definitions for the complex-order fractional Laplacian, fully consistent with the theory of averaging of smooth functions over fractal sets, and present tailored spectral methods for their numerical treatment. The proposed complex-order operators exhibit a dual particle-wave behaviour, with solutions manifesting wave-like features depending on the magnitude of the imaginary part of the fractional order. Reaction-diffusion systems driven by the complex-order fractional Laplacian exhibit unique spatio-temporal dynamics, such as equilibrium of diffusion in random materials by interference of scattered waves, conduction block and highly fractionated propagation, or the generation of completely novel Turing patterns. Taken together, our results support that the proposed complex-order operators hold unparalleled capabilities to advance the description of multiscale transport phenomena in physical and biological processes highly influenced by the heterogeneity of complex media.

There is a relationship between systemic sarcoidosis (SS) and malignancy. Sarcoidosis results from an exaggerated immune response in genetically susceptible individuals. In oncologic pa-tients with sarcoidosis, tumoral antigens and antineoplastic treatment are considered potential triggering factors. The observation of a patient with granulomas in a parotid carcinoma that later developed SS led us to review previous tumors of patients with SS. The aim of the study is to see if granulomas were already present in the tumors that preceded sarcoidosis. We identified 196 sarcoidosis patients, 47 of which had a previous tumor. We were able to review 29 cases 12 of which showed tumor associated granulomas (TAGs)(41.4%). This ratio is much higher than that of the normal population. We analyzed five control patients without sarcoidosis for each tumor. In conclusion, we have observed TAGs in patients who later develop SS. In our series, the ratio of TAGs in patients with SS was significantly greater than in the normal population. To prove our findings, we suggest reviewing the history of patients with SS in search of previous tumors. The histology of such tumors should be reviewed in an attempt to identify granulomas.

Background: Every year, millions of people are hospitalized, and thousands die from influenza A virus (FLUAV) infection. Most cases of hospitalizations and death occur among elderly. Many of these elderly patients are reliant on medical treatment of underlying chronic diseases, such as arthritis, diabetes, and hypertension. We hypothesized that the commonly prescribed medicines for treatment of underlying chronic diseases can affect host responses to FLUAV infection, and thus contribute to morbidity and mortality associated with influenza. Therefore, the aim of this study was to examine whether commonly prescribed medicines could affect host responses to virus infection in vitro. Methods: We first identified 45 active compounds of medicines commonly prescribed in Central Norway. Then we constructed a drug-target interaction network and identified potential implication of these interactions for FLUAV-host cell interplay. Finally, we tested the effect of 45 drugs on viability, transcription and metabolism of mock- and A/WSN/33(H1N1)-infected human retinal pigment epithelial (RPE) cells. Results: In silico drug-target interaction analysis revealed that many drugs, such as acetylsalicylic acid, atorvastatin, candesartan, and hydroxocobalam, could target and modulate FLUAV-host cell interaction. In vitro experiments showed that these and other compounds at non-cytotoxic concentrations differently affected transcription and metabolism of mock- and FLUAV-infected cells. Conclusion: Many commonly prescribed drugs modulate FLUAV-host cell interactions in vitro and therefore could affect their interplay in vivo, thus, contributing to morbidity and mortality of patients with influenza virus infections.

The present study explores the potential impact of peers' omnipresence at school on children's academic performance. We tested 99 fourth-graders either alone or with a classmate in a task involving both numeracy and literacy skills: numerosity comparison and phonological comparison. Ninety-seven college-aged young adults were also tested on the same task, either alone or with a familiar peer. Peer presence yielded a reaction time (RT) speedup in children, and this social facilitation was at least as important as that seen in adults. RT distribution analyses indicated that the presence of a familiar peer promotes the emergence of adult-like features in children. This included shorter and less variable reaction times (confirmed by an ex-Gaussian analysis), increased use of an optimal response strategy and, based on Ratcliff’s diffusion model, speeded up non decision (memory and/or motor) processes. Peer presence thus allowed children to, at least, narrow (for demanding phonological comparisons), and, at best, virtually fill in (for unchallenging numerosity comparisons) the developmental gap separating them from adult levels of performance. These findings confirm the influence of peer presence on skills relevant to education and lay the ground for exploring how the brain mechanisms mediating this fundamental social influence evolve during development.

The purpose of this study was to explore the association of cognition with hazardous drinking and alcohol related disorder in persons with bipolar disorder (BD). The study population included 1,268 persons from Finland with bipolar disorder. Alcohol use was assessed through hazardous drinking and alcohol related disorder including alcohol use disorder (AUD). Hazardous drinking was screened with the AUDIT-C (Alcohol Use Disorders Identification Test for Consumption) screening tool. Alcohol related disorder diagnoses were obtained from the national registrar data. Participants performed two computerized tasks from the Cambridge automated neuropsychological test battery (CANTAB) on tablet computer: the 5-choice serial reaction time task, or, reaction time (RT) test and the Paired Associative Learning (PAL) test. Association between RT-test and alcohol use was analyzed with log-linear regression, and eβ with 95% confidence intervals (CI) are reported. PAL first trial memory score was analyzed with linear regression, and β with 95% CI are reported. PAL total errors adjusted was analyzed with logistic regression and odds ratios (OR) with 95% CI are reported. After adjustment for age, education and housing status, hazardous drinking was associated with lower median and less variable RT in females while AUD was associated with a poorer PAL test performance in terms of the total errors adjusted scores in females. Our findings of positive associations between alcohol use and cognition in persons with bipolar disorder are unique.

In this paper, the author utilizes Saddle Theorem and variational methods to deduce existence of at least six stationary solutions for reaction-diffusion Gilpin-Ayala competition model (RDGACM). To obtain the global stabilization of the positive stationary solution of the RDGACM, the author designs a suitable impulsive event triggered mechanism (IETM) to derive the global exponential stability of the the positive stationary solution. It is worth mentioning that the new mechanism can exclude Zeno behavior and effectively reduce the cost of impulse control through event triggering mechanism. Besides, compared with existing literature, the restrictions on the parameters of the RDGACM are relaxed so that the methods used in existing literature can not be applied to the relaxed case of this paper, and so the author makes comprehensive use of Saddle Theorem, orthogonal decomposition of Sobolev space $H_0^1(\Omega)$ and variational methods to overcome the mathematical difficulty. Numerical examples show the effectiveness of the methods proposed in this paper.

The construction of carbon-carbon bonds by direct involvement of two unactivated carbon-hydrogen bonds, without any directing group, ensures an high atom economy of the entire process. Here it is described a simple protocol for the Pd(II)/Cu(II)-promoted intermolecular cross-dehydrogenative coupling (CDC) of 5-arylimidazoles, benzimidazoles, benzoxazole and 4,5-diphenylimidazole at their C-2 position with functionalized styrenes. This specific CDC, known as Fujiwara-Moritani reaction or oxidative Heck coupling, allowed also the C-4 alkenylation of the imidazole nucleus when both 2 and 5 positions are occupied.

Reverse water gas shift reaction (RWGS) is an important process which plays a vital role in many CO2 utilization related reactions. Noble metals are the most active catalysts in RWGS, but the high price and low reserve strangled their applications. In the present work, we reported a non-transition-metal MgAl2O4 catalyst which showed outstanding activity and stability at high temperatures in the RWGS reaction and improved performance after doping of single atomic Nin+. The catalyst can obtain 46% of CO2 conversion in durability test of 75 h at 800 °C under high weight hourly space velocities (225 000 ml g-1 h-1). The adsorption sites, possible reaction route, and effects of Nin+ single atoms on the (111) surface of MgAl2O4 for RWGS were investigated by in situ DRIFTS and DFT calculations. The results indicated that the rate determining reaction step of RWGS on MgAl2O4 and Ni (SA)/MgAl2O4 were both the reaction of OH* + H* → H2O* + *, but the energy barrier was significantly reduced after introducing single atomic Nin+. Nin+ atoms can increase the hydroxyl coverage on the surface of catalyst and Al3+ sites near the Nin+ ion are considered as the predominant active sites for RWGS reactions.

Abstract: An efficient and environmentally Pumice as a new catalyst for designing of 3,4- dihydropyrimidin-2(1H) ones / thiones via one-pot multi component condensation of aromatic aldehydes, urea/ thiourea and ethyl acetoacetate or acetyl acetone in excellent yields (96-99 %). The advantages using of this new catalyst is very cheap, available, non-toxic, stable under thermal conditions, easy work-up, improved yields, the product of reaction is very pure without using chromatographic methods and solvent free conditions.

The closed forms of the non-resonant thermonuclear function in the Maxwell-Boltzmann and Tsallis case with depleted tail are obtained in generalized special functions. The results are written in terms of H-function of two variables. The importance of the results in this paper lies in the fact that the reaction rate probability integrals in Maxwell-Boltzmann and Tsallis cases are not obtained by the conventional method of approximation or by means of a single variable transform technique but by means of a two variable transform method. The Behaviour of the depleted non-resonant thermonuclear functions are examined using graphs. The results in the paper are of much interest to astrophysicists and statisticians in their further work in this area.

The current SARS-CoV-2 pandemic is still threatening humankind. Despite first successes in vaccine development and approval, no antiviral treatment is available for COVID-19 patients. The success is further tarnished by the emergence and spreading of mutation variants of SARS-CoV-2, for which some vaccines are not effective anymore. This highlights the urgent need for antiviral therapies even more. This article describes how the Genome-Scale Metabolic Model (GEM) of the host-virus interaction of human alveolar macrophages and SARS-CoV-2 was refined by incorporating the latest information about the virus’s structural proteins and the mutant variants B.1.1.7 and B.1.351. We confirmed the initially identified guanylate kinase as a potential antiviral target with this refined model and identified further potential targets from the purine and pyrimidine metabolism. The model was further extended by incorporating the virus’ lipid requirements. This opened new perspectives for potential antiviral targets in the altered lipid metabolism. Especially the phosphatidylcholine biosynthesis seems to play a pivotal role in viral replication. The guanylate kinase is even a robust target in all investigated mutation variants currently spreading worldwide. These new insights can guide laboratory experiments for the validation of identified potential antiviral targets. Only the combination of vaccines and antiviral therapies will effectively defeat this ongoing pandemic.

Self-assembled structures mostly arises through enzyme-regulated phenomena in nature under persistent conditions. Enzymatic reactions are one of main biological processes in fabrication and construction of supramolecular hydrogel networks required for biomedical applications. The enzymatic processes provide a unique opportunity to integrate hydrogel formation. In most of cases, structure and substrates of hydrogels are adjusted by enzyme catalysis due to the chemo-, regio- and stereo-selectivity of enzymes. Hydrogels processed by using various enzyme schemes showed remarkable characteristics as dynamic frames for cells, bioactive molecules and drugs in biomedical applications. A novel class of enzyme-mediated crosslinking hydrogels mimics the extracellular matrices by displaying unique physicochemical properties and functionalities like water-retention capacity, drug loading ability, biodegradability, biocompatibility, biostability, bioactivity, optoelectronic properties, self-healing ability, shape memory ability. In recent years, many enzymatic systems investigated hydrogel cross-linking. Results of biocompatible hydrogel products show that these mechanisms of crosslinking can fulfill requirements for variety of biomedical applications including tissue engineering, wound healing and drug delivery.

The energy crisis and environmental problems are becoming more and more severe due to the long-term consumption of fossil fuels. Therefore, energy conversion devices with high energy density and environmental friendliness (such as fuel cells, metal-air batteries, etc.) have been ex-pected to be reliable alternatives to traditional fossil energy. However, due to the inevitable use of precious metals as the electrode catalysts for these devices, the popularization of these alternatives is seriously hindered. Transition metal nitrides (TMNs) exhibit similar surface and adsorption properties to noble metals since the atomic distance between metal atoms increases and the d-band center of metal atoms downshift after the nitrogen atoms enter the metal lattice. TMNs have become one of the best electrode materials to replace noble metal electrocatalysts in energy storage and conversion devices. In this review, the latest development in the electrocatalytic ap-plication of TMNs nanocrystalline is covered. Firstly, we briefly discuss the structure and activity origin of TMNs and introduce the common physical and chemical methods for the preparation of TMNs. Subsequently, we illustrate the applications of unary TMNs and multivariate TMNs in oxygen reduction reaction (ORR) and oxygen evolution reaction (OER). Finally, we summarize the challenges and problems of TMNs encountered at the present stage, and expect its future de-velopment.

Objectives: This meta-analysis was designed to assess the effect of addition of a bead-beating step during DNA extraction to effectively isolate Trichuris trichura DNA for quantitative Polymerase Chain Reaction (qPCR)-based diagnosis. Abstract was reported according to PRISMA-DTA abstract checklist. Methods: Eligibility criteria: qPCR-based molecular studies comparing the inclusion of bead-beating step during the DNA extraction from stool samples with extraction without the step were included in the analysis. Information sources: Studies using real patient samples in community settings were included. PubMed and Google search engine were searched in December 2019. Risk of bias and applicability: Risk of bias and applicability were assessed using QUADAS-2 checklist. Synthesis of results: Odds ratio for individual studies were combined to estimate Random Effects Model odds ratio. Additional literature were searched to discuss biochemical nature of helminth eggs. Results:Included studies: A total of six independent sub-studies were gathered from two published original articles. Division of the two major studies into six sub-studies was indispensable due to natures of the study carried. 128 of total 192 samples (in all studies) were positive for Trichiuris trichiura when bead-beating was used during DNA extraction compared to 108/192 when bead-beating was excluded. Combined odds ratio was 1.66 (95% CI: 1.059 to 2.602). Biochemical nature of helminth eggs was discussed. Discussions: Strengths and limitations: Though only two article were included in the study, six exclusive individual sub-studies were analyzed. Inherent differences in the background prevalence of helminth in study population could impact sensitivity of qPCR. Interpretation: It was found that the inclusion of the bead-beating step during DNA extraction significantly increased the sensitivity of the test.

Purpose of the study was to explore the association of cognition with hazardous drinking, binge drinking and alcohol use disorder in schizophrenia and schizoaffective disorder. Cognitive deficits are common in schizophrenia. Alcohol might be associated with additional cognitive impairment in schizophrenia patients. The study population included 3362 schizophrenia and schizoaffective disorder patients in Finland. Hazardous drinking was screened with the AUDIT-C (Alcohol Use Disorders Identification Test for Consumption) screening tool. Binge drinking was obtained from the AUDIT-C. Alcohol use disorder (AUD) diagnoses were obtained from the national registrar data. Participants performed two computerized tasks from the Cambridge automated neuropsychological test battery (CANTAB) on tablet computer: the 5-choice serial reaction time task (5-CSRTT), or, reaction time (RT) test and the Paired Associative Learning (PAL) test. Association of alcohol use with RT test and PAL test was analyzed with log-linear regression and logistic regression, respectively. After adjustment for age, education and age at first psychotic episode, hazardous drinking in females was associated with lower median RT. Compared to never binge drinkers, male and female participants drinking 6 or more doses of alcohol monthly or less had lower median RT. In the PAL test both first trial memory score (FTMS) and total errors adjusted score (TEAS) were associated with better performance in males drinking 6 or more doses of alcohol weekly or more and in females drinking 6 or more doses monthly or less. Higher PAL TEAS was associated with AUD in females Some positive associations between alcohol and cognition were found in male and female schizophrenia and schizoaffective disorder patients with hazardous drinking and binge drinking.

Leaf mechanical wounding triggers a rapid, within minutes, release of a blend of volatile organic compounds (VOCs). Wounding-induced VOC blend is mainly composed of oxygenated ubiquitous stress volatiles such as methanol and volatile products of lipoxygenase (LOX) pathway (mainly C5 and C6 alcohols and aldehydes and their derivatives), but also includes multiple minor VOCs that collectively act as infochemicals inducing defences in non-damaged plant leaves, neighbouring plants and attracting herbivore enemies. Till present, interspecific variability of the rate of induction and magnitude of wounding-induced emissions, and the extent to which plant structural traits and physiological activity alter these emissions are poorly known. Particularly scarce is the information of the induced emissions in tropical agricultural plant species despite their economic importance and large area of cultivation at regional to global scales. We chose five tropical crops with varying photosynthetic activity and leaf structural characteristics: Abelmoschus esculentus, Amaranthus cruentus, Amaranthus hybridus, Solanum aethiopicum and Telfairia occidentalis to characterize the kinetics and magnitude of wounding-induced emissions, hypothesizing that the induced emission response is greater and faster in physiologically more active species with greater photosynthetic activity than in less active species. Rapid highly repeatable leaf wounds (12-mm cuts) were generated by a within-leaf-chamber cutting knife. Wounding-induced VOC emissions were measured continuously with a proton-transfer reaction time-of-flight mass spectrometer and gas-chromatography mass spectrometry was used to separate isomers. Twenty-three ion VOCs and twelve terpenoid molecule structures were identified, whereas ubiquitous stress volatiles methanol (on average 40% of total emissions), hexenal (24%), and acetaldehyde (11%) were the main compounds across the species. Emissions of low-weight oxygenated compounds (LOC, 70% of total), and LOX products (29%) were positively correlated across species, but minor VOC components, monoterpenoids and benzenoids were negatively correlated with LOC and LOX, indicating a reverse relationship between signal specificity and strength. There was a large interspecific variability in the rate of induction and emission magnitude, but the hypothesis of a stronger emission response in physiologically more active species was only partly supported. In addition, the overall emission levels were somewhat lower with different emission blend compared to the data reported for wild species, as well as different shares for the VOCs in the blend. The study demonstrates that wounding-dependent emissions from tropical agricultural crops can significantly contribute to atmospheric volatiles, and these emissions cannot be predicted based on current evidence of wild plant model systems.

The efficiency of performance in various sports has the development of certain specific skills at its core. In ice hockey, both the technical aspects (techniques, stance) and the cognitive ones (keeping attention on the puck, game strategy, etc.) are highly important. This study is aimed at the identification of specific features that determine the performance efficiency of professional hockey players. We used virtual reality (VR) to study the differences between professional ice hockey players and novices in terms of motor responses to the puck’s presentation on different levels of difficulty. The study involved 22 participants, 13 of them being professional ice hockey players (M_age=20±2.9; mean age of training experience М=14.18±3.8) and 9 being not experienced participants (M_age=20±1.4). The study showed that the stick response time of professional hockey players is significantly higher (0.98 ms vs 1.5 ms, p≤0.05) in more difficult situations close to a real game. Moreover, professionals proved to have more stable movement patterns of the knee and hip joints. They also make fewer head movements as a response to stimuli during all runs (0.66 vs 1.25, p≤0.05). Therefore, the results indicate specific spatial-temporal, technical and tactical, and energetic determinants, that ensure higher performance efficiency in hockey players

Significant progress has been made in understanding the computational and neural architecture that mediates eye and hand movements made in isolation. However, less is known about the mechanisms that control these movements when they are coordinated. Here, we outline our computational approaches using accumulation-to-threshold and race-to-threshold models to elucidate the mechanisms that initiate and inhibit these movements. We suggest that, depending on the behavioral context, the initiation and inhibition of coordinated eye-hand movements can operate in two modes- coupled and decoupled. The coupled-mode operates when the task context requires a tight coupling between the effectors; a common command initiates both effectors, and a unitary inhibitory process is responsible for stopping them. Conversely, the decoupled mode operates when the task context demands weaker coupling between the effectors; separate commands initiate the eye and hand, and separate inhibitory processes are responsible for stopping them. We hypothesize that higher-order control processes assess the behavioral context and choose the most appropriate mode. This computational architecture can explain heterogeneous results observed across many studies that have investigated the control of coordinated eye-hand movements and may also serve as a general framework to understand the control of complex multi-effector movements.

The steady-state multiplicity of the porous, non-isothermal, catalyst pellet when two parallel and consecutive chemical reactions take place was analysed in this work. The geometry selected for the catalyst pellet is finite hollow cylinder. A numerical multigrid continuation technique with the preconditioned conjugate gradient squared as coarse grid solver was used. The continuation parameter is the dimensionless adiabatic heat rise (Prater number) for the first chemical reaction. The effect of the other governing parameters was analysed and the results are compared to those provided by the single chemical reaction.

Smartphones have become an integral part of our everyday lives and keep us busy while doing other primary activities such as driving, cycling or walking in traffic. The problem of digital distraction among drivers has been largely addressed, and interest is growing also on vulnerable road users as well: In fact, high percentages of pedestrians and cyclists are accustomed to checking their devices while moving in traffic. This research links to the presented theme and aims to investigate the extent to which digital distraction in the form of social media app checking influences pedestrian behavior. The focus of the study is specifically on signalized intersections. An outdoor, eye-tracking experiment was conducted on a specific route consisting of various elements typical of urban areas. Participants were asked to walk the predefined route twice, en-countering three signalized intersections: the first time they were asked to walk with their smartphone in hand, the second time without. The recordings of each participant's route were then analyzed, examining reaction time, crossing time and speed, fixations, and gaze paths. The results show a clear impact of digital devices on pedestrians' attention by increasing their reaction and crossing times and decreasing crossing speeds. In addition, the analysis of fixations found that 82.54% of the time was devoted to the smartphone, while interest in other street ele-ments decreased from 16.64% to 4.03%.

In this work, anchoring of cinchona derivatives to trifunctional cores (hub approach) was demonstrated to obtain size-enlarged organocatalysts. By modifying the cinchona skeleton in different positions, we prepared four C3-symmetric size-enlarged cinchona derivatives (hub-cinchonas), which were tested as organocatalysts and their catalytic activities were compared with the parent cinchona (hydroquinine) catalyst. We showed that in the hydroxyalkylation reaction of indole, hydroquinine provides good enantioselectivities (up to 73% ee), while the four new size-enlarged derivatives gave significantly lower values (up to 29% ee) in this reaction. Anchoring cinchonas to trifunctional cores was found to facilitate nanofiltration-supported catalyst recovery using PolarClean alternative solvent. The C3-symmetric size-enlarged organocatalysts were completely rejected by all the applied membranes, whereas the separation of hydroquinine was found to be insufficient using organic solvent nanofiltration. Furthermore, the asymmetric catalysis was successfully demonstrated in the case of Michael reaction of 1,3-diketones and trans-β-nitrostyrene using Hub3-cinchona (up to 96% ee) as a result of the positive effect of the C3-symmetric structure using a bulkier substrate. This means an increased selectivity of the catalyst in comparison to hydroquinine in the latter Michael reaction.

Drug Reaction with Eosinophilia and Systemic Symptoms (DRESS) is a rare and potentially life-threatening systemic drug reaction with skin involvement. We present the unusual case of DRESS in a 16-year-old male that was treated with TMP-SMX for acne and was initially misdiagnosed with Steven Johnson Syndrome. Our case serves as an example to healthcare providers treating adverse drug reactions to having a high clinical suspicion for DRESS as delay in diagnosis and treatment can result in disseminated disease and higher patient mortality risk.

The prevalence of food allergy has increased in recent years, especially in children. Food allergen avoidance and symptomatic drugs in case of an allergic reaction remain the standard of care in food allergy. Nevertheless, increasing attention has been given to the possibility to treat food allergy, through immunotherapy, particularly oral immunotherapy (OIT). Several OIT protocols and clinical trials have been published. Most of them focus on children allergic to milk, egg, or peanuts, although recent studies developed protocols for other foods, such as wheat and different nuts. OIT efficacy in randomized controlled trials is usually evaluated as the possibility for patients to achieve desensitization, while the issue of a possible long-term sustained unresponsiveness has not been completely addressed. Here, we evaluated current OIT knowledge, focusing on the results of clinical trials and current guidelines. Specifically, we wanted to highlight what is known in terms of OIT efficacy and effectiveness, safety, and impact on quality of life. For each aspect, we reported the pros and the cons, inferable from published literature. In conclusion, even though many protocols, reviews and meta-analysis have been published on this topic, OIT remains a controversial therapy and no definitive generalized conclusion may be drawn so far. It should be an option provided by specialized teams, when both patients and their families are prone to adhere to the proposed protocol. Efficacy, long-term effectiveness, possible role of adjuvant therapies, risk of severe reactions including anaphylaxis or eosinophilic esophagitis, and impact on the quality of life of both children and caregivers are all aspects that should be discussed before starting OIT. Future studies are needed to provide firm clinical and scientific evidence, which should also consider patient reported outcomes.

A new generation of nano-technologies is expanding solid propulsion capabilities and increasing their relevance for versatile and manoeuvrable micro-satellites with safe high-performance propulsion. We propose the innovative concept, connected with application of new synergistic effect of the energetic materials performance enhancement and reaction zones programming for the next generation small satellite multimode solid propulsion system. The main idea of suggested concept is manipulating by the self-organized wave patterns excitation phenomenon, by the properties of the energetic materials reaction zones and by localization of the energy release areas. This synergistic effect can be provided through application of the functionalized carbon-based nanostructured metamaterials as a nano-additives along with simultaneous manipulating by their properties through the electrostatic field. Mentioned effect will be controlled through predictive programming both by the spatial structure and physics-chemical properties of the functionalized carbon-based nano-additives and through the electromagnetic control of the self-organized wave pattern excitation and micro- and nano- scale oscillatory networks in the energetic material reaction zones. Suggested new concept makes it possible to increase the energetic material regression rate and increase the thrust of the solid propulsion system with minimal additional energy consumption.

The conversion of CO2 into more synthetically flexible CO is an effective and potential method for CO2 remediation, utilization and carbon emission reduction. In this paper, the reaction of carbon-carbon dioxide (Boudouard reaction) was performed in a microwave fixed bed reactor using semi-coke (SC) as both the microwave absorber and reactant and was systematically compared with that heated in a conventional thermal field. The effects of the heating source, SC particle size, CO2 flow rate and additives on CO2 conversion and CO output were investigated. By microwave heating (MWH), CO2 conversion reached more than 99 %, while by conventional heating (CH), the maximum conversion of CO2 was approximately 29% at 900 °C. Meanwhile, for the reaction with 5 wt% Barium Carbonate added as a promoter, the reaction temperature was significantly reduced to 750 °C with almost quantitative conversion of CO2. Further kinetic calculations showed that the apparent activation energy of the reaction under microwave heating was 46.3 kJ/mol, which was only one-third of that observed under conventional heating. The microwave-assisted Boudouard reaction with catalytic barium carbonate is a promising method for carbon dioxide utilization.

With the aim of profitable conversion of carbon dioxide (CO2) in an efficient, economical and sustainable manner, we developed a CuBr/ionic liquid (1-butyl-3-methylimidazolium acetate) catalytic system which could efficiently catalyze the three-component reactions of propargylic alcohols, 2-aminoethanols, and CO2 to produce 2-oxazolidinones and α-hydroxy ketones. Remarkably, this catalytic system employed lower metal loading (0.0125-0.5 mol%) but exhibited the highest turnover number (2960) ever reported, demonstrating its excellent activity and sustainability. Moreover, our catalytic system could efficiently work under 1 atm of CO2 pressure and recycle among the metal-catalyzed systems.

Introduction: Valproic acid (VPA) is an antiepileptic drug extensively used for treating partial and generalised seizures, acute mania and as prophylaxis for bipolar disorder. Drug-induced liver injury (DILI) persists as a significant issue related to fatal outcomes by VPA. The aim of this study was to increase our knowledge about this condition and to better identify patients affected. Methods: We conducted an observational retrospective case-control study that identified cases of DILI by VPA from the Pharmacovigilance Programme from our Laboratory Signals at La Paz University Hospital from January 2007 to December 2019. From the Therapeutic VPA Monitoring Programme, two control groups were assigned, VPA-tolerant patients and the other with patients who developed mild VPA-related hepatitis but who did not meet the DILI criteria, matched for date, age and sex. Results: A total of 60 patients were included in the study: 15 cases of DILI, 30 VPA-tolerant controls and 15 controls with mild hepatitis. Mean age for the cases was 45.7 years, 4(26.7%) were women and 5(33.34%) were children under 18 years, of them 3(20%) were fatal. Polytherapy with other antiepileptic drugs (p=0.047) and alcohol consumption (p<0.001) were associated with a greater risk of developing DILI by VPA. A diagnosis of epileptic seizure was more frequently related to DILI when compared with the VPA-tolerant controls (p<0.001). The cases developed hepatocellular hepatitis (p<0.001), while the mild hepatitis controls had a higher rate of cholestatic hepatitis (p<0.001). The laboratory lactate dehydrogenase values were statistically higher (even at baseline) in patients with DILI than in both control groups (p= 0.033 and p=0.039). Conclusions: VPA hepatotoxicity remains a considerable problem. This study offers interesting findings for characterising VPA-induced liver injury and at-risk patients.

Finding new ways for the preparation of cross-linked structures is a significant problem in terms of materials for biomedical application, lithium batteries electrolytes, and etc. Within this work we have studied the possibility to utilize hydrosilylation and Piers-Rubinsztajn reactions to obtain cross-linked model phosphazene compounds, containing eugenoxy and guaiacoxy groups. It was shown that Piers-Rubinsztajn reaction cannot be efficiently used to prepare tailored polymer-matrix, due to the catalyst deactivation by nitrogen atoms of phosphazene units. A number of cross-linked phosphazene-based materials was obtained with the use of hydrosilylation reaction and their properties were studied by NMR spectroscopy, FTIR, DSC, and TGA. This work showed a perspective for the use of eugenoxy functional groups for the preparation of three-dimensional hybrid phosphazene/siloxane-based materials for various applications.

The use of low-intensity ultrasound has gotten surprising consideration over the last decade as a method for enhancing the catalytic activity of the enzyme. Ultrasounds have the potential to significantly influence the activity of the enzymatic processes, provided that the energy input is not too high to inactivate the enzyme. By providing the variation in parameters, various physical and chemical effects can be attained that can enhance the enzymatic reaction. Ultrasonic reactors are known for their application in bioprocesses. However, the potential of their applications is still limited broadly due to the lack of proper information about their operational and performance parameters. In this review, the detailed information about ultrasonic reactors is provided by defining the different types of reactors, number and position of ultrasonic transducers. Also, it includes the mechanism of intensification and influence of ultrasonic parameters (intensity, duty cycle and frequency) and enzymatic factors (enzyme concentration, temperature and pH) on the catalytic activity of enzyme during ultrasound treatment.

This study investigated the efficacy of advanced oxidation process (AOP) for the reduction of pollution loads in mixed agro-food industrial wastewaters (dairy and slaughterhouse) in Nablus city, Palestine. Bench-scale Jar tests using an advanced oxidation process (AOP) were performed as a pretreatment stage. Initial results on direct applications of Fenton’s process on mixed agro-food wastewater (COD: 15400-18200 mg/l) were unsatisfactory. Hence, the performance of the Fenton process was applied on three mixed wastewater samples with different pre-treatment trials: (A) coagulant (FeCl3.6H2O) addition, (B) settling (2h), and use of flocculent (lime Ca(OH)2) in sample (C). Preceded with lime, Fenton`s process (Sample C) was most effective in the removal of organic carbon and nitrogen (89% COD; 80% TKN). The removal efficiency in inorganic loads (91% TSS; 62% TS) were achieved under H2O2/COD (w/w ratio 2:1), H2O2/Fe+2 (w/w ratio 10:1) and acidic conditions (pH = 3). The adoption of AOP technology by agro-food industries could ensure compliance with municipal by-laws and acquire connection permits to sewerage networks.

Background: drugs provide a significant benefit; however, their use implies an intrinsic potential danger, with the possibility to cause unwanted effects. These effects are known as adverse drug reactions (ADRs). Post-marketing drug safety surveillance detects unknown risks that have not been identified in clinical trials and it is necessary to monitor marketed medications under real-life practice. Due to the scarce information about fixed combination of ciprofloxacin 0.3% / dexamethasone 0.1% (SDO), we performed a drug safety surveillance study. (2) Methods: A prospective non-controlled drug safety surveillance study was conducted in Peruvian population. A total of 236 patients prescribed SDO were included derivates from 12 sites. Patients' standardized information was collected through two phone calls, including demographics, medical history, prescribing patterns of SDO, concomitant medication, and ADRs in detail. The ADRs were classified by causality and severity, followed by outcome measures to identify new risk. (3) Results: 236 patients prescribed with SDO participated in the study and 220 were included. A total of 82 ADRs/220 patients were reported after the use of SDO, presenting a ratio 0.37 ADR/patient. The most frequent ADR with SDO administration was eye irritation (30%). The totality of the ADR was classified as non-serious, and the 97.5% (n=80) was classified as mild and 2.5% as moderate (n=2). No cases under the severe category were identified. (4) Conclusion: No new risks were found in the population where this study was conducted.

This study investigated the reduction of organic loads from mixed agro-food industrial wastewaters (dairy and slaughterhouse) of Nablus city using advanced oxidation process (AOP), a high- rate chemical oxidation reaction. Bench-scale Jar tests using an advanced oxidation process (AOP) were performed as a pretreatment stage. Direct applications of classical Fenton’s process on mixed raw agro-food wastewater samples (COD: 15400-18200 mg/l) revealed unsatisfactory results. The performance of the Fenton process was evaluated using three mixed samples with different pre-treatment trials: (A) coagulant (FeCl3.6H2O) addition, (B) settling (2h) allowed, and use of flocculent (lime Ca(OH)2) in sample (C). Compared with other partial treatments, sample (C), Fenton`s process lime preceded, was the most effective in the removal of organic (89% COD; 80% TKN) and inorganic loads (91% TSS; 62% TS) under H2O2/COD (w/w ratio 2:1), H2O2/Fe+2 (w/w ratio 10:1) and acidic conditions (pH =3). Obtained results comply with Nablus municipal by-law (COD below 2000 mg/l), which help decision-makers within the agro-food industries install pollution reduction systems. Investment in the Fenton-based peroxidation process, allow agro-food industries to obtain connection permits to sewage networks.

Plant proteins being considered to become the most important protein source of the future, they must be able to replace the animal-derived proteins currently in use as technofunctional food ingredients. This poses challenges because plant proteins are oftentimes storage proteins with a high molecular weight and low water solubility. One promising approach to overcome these limitations is the glycation of plant proteins. The covalent bonding between the proteins and different carbohydrates created via the initial stage of the Maillard reaction can improve the technofunctional characteristics of these proteins without the involvement of potentially toxic chemicals. However, compared to studies with animal-derived proteins, glycation studies on plant proteins are currently still underrepresented in literature. This review provides an overview of the existing studies on the glycation of the major groups of plant proteins with different carbohydrates using different preparation methods. Emphasis is put on the reaction conditions used for glycation as well as the modifications to physicochemical properties and technofunctionality. Different applications of these glycated plant proteins in emulsions, foams, films, and encapsulation systems are introduced. Another focus lies on the reaction chemistry of the Maillard reaction and ways to harness it for controlled glycation and to limit the formation of undesired advanced glycation products. Finally, challenges related to the controlled glycation of plant proteins to improve their properties are discussed.

Background: Disentangling adverse drug reactions from confounders remains a major challenge to assess causality and severity in neonates. Vancomycin and amikacin are perceived as nephrotoxic and often prescribed in neonates. We selected these compounds to assess their impact on creatinine dynamics as sensitive tool to detect a renal impairment signal. Methods: A recently developed dynamical model that characterized serum creatinine concentrations of 217 ELBW neonates (4036 serum creatinine observations) was enhanced with data on individual administration of vancomycin and/or amikacin to identify a potential effect of antibiotic exposure by nonlinear mixed-effects modelling analysis. Results: Of our ELBW patients, 77% were exposed to either vancomycin or amikacin. Antibiotic exposure resulted in transient lower overall creatinine clearance and a modest increase in serum creatinine. Dependency on gestational age was observed in the difference in serum creatinine when exposed to antibiotics during the third week after birth (difference in creatinine for a neonate at 24 weeks gestation decreased with 56% for a 32-week-old neonate). Conclusions: A previously described model on creatinine dynamics was used to explore and quantify the impact amikacin or vancomycin exposure on creatinine dynamics. Such tools can be used to explore minor changes, or compare minor differences between treatment modalities.

The construction of optimized biological fuel cells requires a cathode which combines the longevity of a microbial catalyst with the power density of an enzymatic catalyst. Laccase secreting fungi were grown directly on the cathode of a biological fuel cell to facilitate the exchange of inactive enzymes with active enzymes with the goal of extending the lifetime of laccase cathodes. Additionally, a functionally graded coating was developed to increase enzyme loading at the cathode. Directly incorporating the laccase producing fungus at the cathode extends the operational lifetime of laccase cathodes while eliminating the need for frequent replenishment of the electrolyte. Additionally, the hybrid microbial-enzymatic cathode addresses the issue of enzyme inactivation by using the natural ability of fungi to exchange inactive laccases at the cathode with active laccases. Finally, enzyme adsorption was increased through the use of a functionally graded coating containing an optimized ratio of titanium dioxide nanoparticles and single walled carbon nanotubes. The hybrid microbial-enzymatic fuel cell combines the higher power density of enzymatic fuel cells with the longevity of microbial fuel cells and demonstrates the feasibility of a self-regenerating fuel cell in which inactive laccases are continuously exchanged with active laccases.

Ribosomes are macromolecular complexes important to protein translation, and thus, essential to life. Comprising an ensemble of ribosomal proteins and RNA molecules, ribosomes are conserved in structure and function across all domains of life, but recent structural studies have revealed differentiated structures of ribosomes from bacterial, archaea and eukaryotes. Additionally, unique ribosomal protein mass fingerprints have been found for individual species; thereby, indicating that ribosomes are differentiated in structure amongst different species. Given that structure defines function, differentiated function likely exists amongst ribosomes of different species, which could manifest as differences in translation efficiency that could impact on cell growth rate. But ribosomal proteins also hold phylogenetic significance in informing the evolutionary trajectory of each species. Such ribosomal proteins are thus not highly conserved and offers sufficient sequence space for the evolution of differentiated structure and function in different species. Using ribosomal proteins that hold phylogenetic significance as templates, this study sought to understand the mutational and conformational limits that define functional ribosomes. Specifically, ribosomal proteins in Bacillus subtilis that hold phylogenetic cues would be mutated through error-prone polymerase chain reaction to generate variants that are subsequently transformed into Escherichia coli. To help assess the functional properties of the heterologous ribosomal proteins, endogenous ribosomal protein genes would be inactivated by multiplex CRISPR interference. Since variants in ribosomal proteins would likely impact on ribosome function and translation efficiency, live/dead screening on LB agar would be effective as a preliminary screen for functional mutants. These mutants would subsequently be inoculated into liquid LB medium in 96 well plates to quantify relative growth rates between different strains harbouring different heterologous variants of ribosomal proteins. Plasmids containing different ribosomal protein mutants would be extracted from each functional strain and subjected to Sanger sequencing for determining the specific mutations involved. Collection of such mutations would provide a comprehensive mutational map that define the limits of ribosomal protein sequence space important to ribosome function. Furthermore, biochemical isolation of ribosomal proteins and their structural characterization by X-ray crystallography or cryo-electron microscopy would further illuminate the structural significance of each mutation on ribosome structure and function; thereby, elucidating the structural tolerance space for functional ribosomes. Overall, generating a diverse pool of mutant ribosomal proteins in viability assays followed by sequencing and structural characterization would help define the mutational and conformational limits of a functional and efficient ribosome.

In this paper, Lyapunov-Razumikhin technique, design of state-dependent switching laws, a fixed point theorem and variational methods are employed to derive the existence and the unique existence results of (globally) exponentially stable positive stationary solution of delayed reaction-diffusion cell neural networks under Dirichlet zero boundary value, including the global stability criteria \textbf{in the classical meaning}. Next, sufficient conditions are proposed to guarantee the global stability invariance of ordinary differential systems under the influence of diffusions. New theorems show that the diffusion is a double-edged sword in judging the stability of diffusion systems. Besides, an example is constructed to illuminate that any non-zero constant equilibrium point must be not in the phase plane of dynamic system under Dirichlet zero boundary value, or it must lead to a contradiction. Next, under Lipschitz assumptions on active function, another example is designed to prove that the small diffusion effect will cause the essential change of the phase plane structure of the dynamic behavior of the delayed neural networks via a Saddle point theorem. Finally, a numerical example illustrates the feasibility of the proposed methods.

The prevalence of food allergy has increased over the last decades and consequently the food labeling policies have improved over the time in different countries to regulate allergen presence in foods. In particular, Reg 1169 in EU mandates the labelling of 14 allergens whenever intentionally added to foods, but the inadvertent contamination by allergens still remains uncovered topic. In order to warn consumers on the risk of cross-contamination occurring in certain categories of foods, a precautionary allergen labelling system has been put in place by food industries on voluntary basis. In order to reduce the overuse of PAL, reference doses and action limits have been proposed by the VITAL project representing a guide in this jeopardize scenario. Development of sensitive and reliable mass spectrometry methods are therefore of paramount importance in this regard to check the contamination levels in foods. In this paper we describe the development of a managed time MRM method based on a triple quadrupole platform for milk and egg quantification in processed food. The method was in house validated and allowed to achieve levels of proteins lower than 0.2mg of total milk and egg proteins respectively in cookies, challenging the doses recommended by VITAL. The method was finally applied to cookies labeled as milk and egg-free. This method could represent in perspective a promising tool to be implemented along the food chain to detect even tiny amounts of allergens contaminating food commodities.

We search for limit cycles in the dynamical model of two-species chemical reactions that contain seven reaction rate coefficients as parameters and at least one third-order reaction step, that is, the induced kinetic differential equation of the reaction is a planar cubic differential system. Symbolic calculations were carried out using the Mathematica (or, Wolfram language) mathematical program package, and it was also used for the numerical verifications to show the following facts: the kinetic differential equations of these reactions each has two limit cycles surrounding the stationary point of focus type in the positive quadrant. In the case of Model 1, the outer limit cycle is stable and the inner one is unstable that appears in a supercritical Hopf bifurcation. Moreover, the oscillations in a neighborhood of the outer limit cycle are slow-fast oscillations. In the case of Model 2, the outer limit cycle is unstable and the inner one is stable. With another set of parameters, the outer limit cycle can be made stable and the inner one unstable.

Transcriptional regulations have been widely studied as one of the main bridges between biology and other basic sciences as well as medicine. The traffic across it has been mostly unidirectional: chemistry and physics provided a lot of tools for biology, although the supply is now saturating. The traffic in opposite direction, the supply of subjects to develop chemistry and physics, has been only a little. However, if there are any, the supply will be at least from transcription, because the notion of chemical reaction is the strongest. This topic is aimed to increase the opposite traffic by introducing the forefront of physicochemical studies of transcription.