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The transformative potential of web scraping in surgical research through a comprehensive analysis of its revolutionary applications and profound impact is now within reach. This manuscript unveils the pivotal role of web scraping in driving innovation, enabling more effective management of human capital dynamics, and enhancing patient outcomes in the surgical field. As an example, we demonstrate how web scraping can uncover insights into international collaboration in surgery research revealing limited collaboration between surgeons in developed and developing countries. [ABSTRACT FROM AUTHOR]

Designing robust catalysts for low‐temperature oxidation is pertinent to the development of advanced combustion engines to meet increasingly stringent emissions limitations. Oxidation of CO, hydrocarbon, and NO pollutants over platinum‐group catalysts suffer from strong inhibition due to their competitive adsorption, while coinage metals are generally slow at activating O2. Through computational screening, we discovered a PdCu alloy catalyst that completely oxidizes CO below 150 °C without inhibition by NO, propylene or water. This is attributed primarily to geometric effects and the presence of CO bound to Pd sites within the Cu‐rich surface of the PdCu alloy. We demonstrate that the novel PdCu catalyst can be used in tandem with a PtPd catalyst to achieve sequential, inhibition‐free, complete oxidation of CO in a two‐bed system, while also achieving 50 % NO conversion below 120 °C. Moreover, neither water nor propylene adversely affect the low temperature CO oxidation activity. [ABSTRACT FROM AUTHOR]

Sodium caseinates–kefiran systems were studied to explore whether any potential interactions between them might exist. The study was performed using low‐deformation rheological techniques, which were dynamic and creep tests. The systems were prepared under various experimental conditions such as heating and acidification. Besides, the structure development of the systems in relation to time was also monitored using oscillatory shear rheometry. The results indicated that the structural characteristics of the systems were mainly affected by the state of the caseinates such as the formation of aggregates and to a lesser degree by the interactions of kefiran molecules with the caseinates. Freeze–thaw treatment produced cryogels with good thermal stability and fairly satisfactory mechanical properties. The morphology of the caseinate‐kefiran systems was also investigated by means of confocal laser scanning microscopy. [ABSTRACT FROM AUTHOR]

Using data from 25 EU countries spanning the period 1999–2017, this paper examines the relationship between working‐age suicides and changes in long‐term unemployment and tests for mitigating effects through the implementation of labor‐market policies. The estimates suggest higher suicide risks following a rising rate of long‐term unemployment. Passive support policies have a suicide‐decreasing impact. Among active policies, a significant suicide‐decreasing effect is found for training and direct job creation. The results have important policy implications in that they suggest that strong commitment of governments to passive or to certain types of active labor‐market policies can, on average, contribute to social stability and the welfare of populations. [ABSTRACT FROM AUTHOR]

Isothermal heat treatments below the martensite start temperature are carried out in a 0.25C‐1.4Mn‐1.4Si‐0.32Mo steel (in wt%). The microstructural observation reveals a combination of tempered lath and plate martensite, accompanied by bainite and retained austenite. The temperature variation of the austenitic carbon content under different constrained equilibrium models is calculated and compared with experimental measurements. Neither of the existing models seems to predict the behavior of the measured austenitic carbon content in the temperature range studied. The results suggest that the diffusional formation of bainite governs the carbon content of austenite at temperatures nearby the MS. [ABSTRACT FROM AUTHOR]

Isothermal heat treatments below the martensite start temperature are carried out in a 0.25C‐1.4Mn‐1.4Si‐0.32Mo steel (in wt%). The microstructural observation reveals a combination of tempered lath and plate martensite, accompanied by bainite and retained austenite. The temperature variation of the austenitic carbon content under different constrained equilibrium models is calculated and compared with experimental measurements. Neither of the existing models seems to predict the behavior of the measured austenitic carbon content in the temperature range studied. The results suggest that the diffusional formation of bainite governs the carbon content of austenite at temperatures nearby the MS. [ABSTRACT FROM AUTHOR]

Background and Aim: There are conflicting data on adiponectin concentrations in nonalcoholic fatty liver disease (NAFLD). The main aim was to compare circulating total adiponectin concentrations in NAFLD patients with versus without liver fibrosis. Methods: A systematic search was performed in PubMed, Scopus, and Cochrane Library. Twenty‐two studies comprising 1753 biopsy‐proven NAFLD individuals (1290 with and 463 without fibrosis) were included in the meta‐analysis. Results: There was no difference in adiponectin concentration between NAFLD patients with versus without fibrosis (standardized mean difference [SMD]: −0.15; 95% confidence interval [95% CI]: −0.35 to 0.05). Heterogeneity was moderate among studies (Ι2: 60%, P < 0.001); no risk of publication bias was observed (Egger's test; P = 0.37). The sensitivity analysis, performed after the exclusion of studies with (i) children/adolescents and morbidly obese patients (n = 3) and (ii) adiponectin measurement with other methods than enzyme‐linked immunosorbent assay (ELISA) (n = 9), revealed significantly lower adiponectin concentrations in NAFLD patients with fibrosis (i) SMD: −0.23, 95% CI: −0.41 to −0.04; (ii) SMD: ‐0.30, 95% CI: −0.55 to −0.04, respectively). Meta‐regression analysis revealed no significant association of adiponectin SMD with age, alanine aminotransferase, aspartate aminotransferase, γ‐glutamyl‐transferase, homeostasis model assessment insulin resistance and the proportion of men. Conclusions: Overall, patients with NAFLD and fibrosis had similar adiponectin concentrations with patients with NAFLD without fibrosis. However, adiponectin concentration was lower in NAFLD patients with fibrosis than those without fibrosis within the adult patients without morbid obesity and in studies in which adiponectin was measured with the same method (ELISA). [ABSTRACT FROM AUTHOR]

Nonalcoholic fatty liver disease (NAFLD) and osteoporosis are two highly prevalent metabolic diseases. Increasing experimental evidence supports a pathophysiological link between NAFLD and osteoporosis. A key feature could be chronic, low‐grade inflammation, which characterizes NAFLD and possibly affects bone metabolism. In this context, several factors, including but not limited to receptor activator of nuclear factor kappa‐B ligand, osteoprotegerin, osteopontin and osteocalcin, may serve as mediators. In the clinical setting, most but not all epidemiological evidence indicates that NAFLD is associated with lower bone mineral density or osteoporosis in adults. Although an association between NAFLD and osteoporosis has not yet been established, and thus remains speculative, pharmacological considerations already exist. Some of the current and emerging pharmacological options for NAFLD have shown possible anti‐osteoporotic properties (eg, vitamin E, obeticholic acid, semaglutide), while others (eg, pioglitazone, canagliflozin) have been associated with increased risk of fractures and may be avoided in patients with NAFLD and concomitant osteoporosis, especially those at high fracture risk. Conversely, some anti‐osteoporotic medications (denosumab) might benefit NAFLD, while others (raloxifene) might adversely affect it and, consequently, may be avoided in patients with osteoporosis and NAFLD. If an association between NAFLD and osteoporosis is established, a medication that could target both diseases would be a great advancement. This review summarizes the main experimental and clinical evidence on the potential association between NAFLD and osteoporosis and focuses on treatment considerations derived from this potential association. [ABSTRACT FROM AUTHOR]

Nanoencapsulated phase‐change materials (nePCMs) are investigated for enhancing thermal energy storage. However, the shell of these nanocapsules may fail due to stress developed during thermal processes, leading to melting enthalpy loss. To overcome this problem, SiO2 and Al2O3 coatings on Sn nanoparticles are synthesized by atomic layer deposition (ALD). To study the influence of shell thickness and composition on the probability of failure (POF) of nePCM shells in single‐ and multicoated nePCMs, a probabilistic numerical tool combining Monte Carlo techniques and a thermomechanical finite‐element model with phase change are used. The uncertainties of the material and geometrical properties of nePCMs are included in the analysis. Both deterministic and probabilistic failure criteria are taken into account to consider the effect of dispersion on tensile strength. The results indicate that multicoated nePCMs enhance thermomechanical performance in relation to their single‐coated counterparts. Both the numerical simulations and experiments confirm that the POF of nePCM shells and melting enthalpy loss in multicoated nePCMs lower with shell thickness. The results after 50 ALD cycles indicate that Al2O3 coatings exhibit better performance because a POF of 1.66% is obtained with 1.1% enthalpy loss, while the POF for SiO2 is 72.38% with 3.5% enthalpy loss. [ABSTRACT FROM AUTHOR]

We investigate syngas production from polyolefins commonly found in solid waste in a semi‐batch reactor system via gasification and catalytic reforming. We find that the gasification behavior of polymer waste is correlated to the energy of the weakest CH bond in the polymer structure. Furthermore, we show that the syngas yield can be enhanced by the use of adsorbents and reforming catalysts, which promote gasification and reforming over pyrolysis reactions. Adsorbents are required for the achievement of high syngas yields when the polymer feed is comprised of polymers that pyrolyze at lower temperatures, such as PS, PP, and LDPE, resulting in carbon loss as light hydrocarbons. Adsorbents trap these light gases and release them at a higher temperature, where reforming over a Ni/Al2O3 catalyst can take place. This behavior also results in synergistic effects when blends of polymers are gasified. The Ni/Al2O3 catalyst is stable over multiple recycle reactor runs. [ABSTRACT FROM AUTHOR]

The DNA polymerase zeta (Polf) plays a critical role in bypassing DNA damage. REV3L, the catalytic subunit of Polf, is also essential in mouse embryonic development and cell proliferation for reasons that remain incompletely understood. In this study, we reveal that REV3L protein interacts with heterochromatin components including repressive histone marks and localizes in pericentromeric regions through direct interaction with HP1 dimer. We demonstrate that Polf/REV3L ensures progression of replication forks through difficult-to-replicate pericentromeric heterochromatin, thereby preventing spontaneous chromosome break formation. We also find that Rev3l-deficient cells are compromised in the repair of heterochromatin-associated double-stranded breaks, eliciting deletions in late-replicating regions. Lack of REV3L leads to further consequences that may be ascribed to heterochromatin replication and repair-associated functions of Polf, with a disruption of the temporal replication program at specific loci. This is correlated with changes in epigenetic landscape and transcriptional control of developmentally regulated genes. These results reveal a new function of Polf in preventing chromosome instability during replication of heterochromatic regions. [ABSTRACT FROM AUTHOR]

Background and Aim Methods Results Conclusions Although nonalcoholic fatty liver disease (NAFLD) and lipoprotein(a) [Lp(a)] are associated with cardiovascular diseases, existing data on Lp(a) in NAFLD are conflicting. The aim of this systematic review and meta‐analysis was to summarize and compare data on circulating Lp(a) between NAFLD patients and non‐NAFLD controls.A systematic literature search was performed in PubMed, Scopus, and Cochrane Library. This meta‐analysis included 18 studies containing data on 74 691 individuals (20 220 patients with NAFLD and 54 471 controls).Circulating Lp(a) was similar between patients with NAFLD and controls (standardized mean difference [SMD] 0.09; 95% confidence interval [95% CI] −0.21, 0.38). The heterogeneity among studies was high (I2 = 100%); no publication bias was detected (Egger's test P = 0.941). However, in subgroup analysis, Lp(a) was lower in NAFLD patients than controls, when Lp(a) was measured with nephelometry (SMD ‐0.26; 95% CI ‐0.46, −0.06), but not turbidimetry; this analysis also resulted in mild reduction of heterogeneity within the subgroup of nephelometry (I2 = 87%). The sensitivity analyses, based on the exclusion of studies with Newcastle‐Ottawa Scale score ≤6 (n = 5), studies in which liver biopsy was used for NAFLD diagnosis (n = 4) or studies that adopted the criteria of metabolic dysfunction‐associated fatty liver disease (n = 2), and meta‐regression analysis did not explain the high heterogeneity among studies.Overall, circulating Lp(a) was similar between NAFLD patients and non‐NAFLD controls; however, patients with NAFLD had lower circulating Lp(a) compared with controls, when Lp(a) was measured with nephelometry. These results should be cautiously interpreted, because of the high heterogeneity among studies. [ABSTRACT FROM AUTHOR]

Ethanol can be used as a platform molecule for synthesizing valuable chemicals and fuel precursors. Direct synthesis of C5+ ketones, building blocks for lubricants and hydrocarbon fuels, from ethanol was achieved over a stable Pd‐promoted ZnO‐ZrO2 catalyst. The sequence of reaction steps involved in the C5+ ketone formation from ethanol was determined. The key reaction steps were found to be the in situ generation of the acetone intermediate and the cross‐aldol condensation between the reaction intermediates acetaldehyde and acetone. The formation of a Pd–Zn alloy in situ was identified to be the critical factor in maintaining high yield to the C5+ ketones and the stability of the catalyst. A yield of >70 % to C5+ ketones was achieved over a 0.1 % Pd‐ZnO‐ZrO2 mixed oxide catalyst, and the catalyst was demonstrated to be stable beyond 2000 hours on stream without any catalyst deactivation. [ABSTRACT FROM AUTHOR]

The present study describes the development of a functional goats' milk yoghurt, using Pistacia atlantica resin extracts and Saccharomyces boulardii, in an attempt to combine the beneficial effects of the milk, extract and probiotic microorganisms. Results demonstrated that Pistacia extracts promoted the survival of lactic acid bacteria and NMR spectra additionally revealed that the functional fatty acids can be retained during the shelf life of yoghurts, alongside with the other bioactive compounds. The organoleptic assessment revealed that there were no significant differences in flavour, body, texture and appearance between the different yoghurts. [ABSTRACT FROM AUTHOR]

Vitamin E is a general term used to describe a group of eight lipophilic compounds known as tocochromanols. These vitamin E variants are chemically categorised into two classes formed by α‐, β‐, γ‐ and δ‐ tocopherols and tocotrienols isoforms, respectively.The present study describes the concurrent regulation of genes and metabolites orchestrating vitamin E biosynthesis in olive drupes of five distinctive Greek olive cultivars. A combination of analytical, biochemical and molecular approaches was employed in order to carry out comparative analyses, including real‐time RT‐qPCR for gene expression levels and HPLC analysis of metabolite content.Findings indicated that tocochromanol levels and composition, oil content, gene expression levels as well as total antioxidant activity were highly dependent on cultivar and, to a lesser extent, on fruit developmental stage. Specifically, cultivars 'Kalokairida' and 'Lianolia Kerkyras' demonstrated the highest vitamin E content. The latter possessed high tocochromanol content combined with highest overall antioxidant activity in all developmental stages, concomitant with the up‐regulation expression profile of HPPD.The genotypic imprint versus the temporal contribution to vitamin E levels, as well as the potential link to lipid peroxidation amelioration, are discussed. [ABSTRACT FROM AUTHOR]

Citrullination is an essential post‐translational modification in which the guanidinium group of protein and peptide arginines is deiminated by peptidylarginine deiminases (PADs). When deregulated, excessive citrullination leads to inflammation as in severe periodontal disease (PD) and rheumatoid arthritis (RA). Porphyromonas gingivalis is the major periodontopathogenic causative agent of PD and also an etiological agent of RA. It secretes a PAD, termed Porphyromonas PAD (PPAD), which is a virulence factor that causes aberrant citrullination. Analysis of P. gingivalis genomes of laboratory strains and clinical isolates unveiled a PPAD variant (PPAD‐T2), which showed three amino‐acid substitutions directly preceding catalytic Residue H236 (G231N/E232T/N235D) when compared with PPAD from the reference strain (PPAD‐T1). Mutation of these positions in the reference strain resulted in twofold higher cell‐associated citrullinating activity. Similar to PPAD‐T1, recombinant PPAD‐T2 citrullinated arginines at the C‐termini of general peptidic substrates but not within peptides. Catalytically, PPAD‐T2 showed weaker substrate binding but higher turnover rates than PPAD‐T1. In contrast, no differences were found in thermal stability. The 1.6 Å‐resolution X‐ray crystal structure of PPAD‐T2 in complex with the general human PAD inhibitor, Cl‐amidine, revealed that the inhibitor moiety is tightly bound and that mutations localize to a loop engaged in substrate/inhibitor binding. In particular, mutation G231N caused a slight structural rearrangement, which probably originated the higher substrate turnover observed. The present data compare two natural PPAD variants and will set the pace for the design of specific inhibitors against P. gingivalis‐caused PD. PDB Code(s): 6I0X [ABSTRACT FROM AUTHOR]

BACKGROUND: The effect of leaf removal on postharvest performance of dehydrated grapes has been poorly analyzed. The aim of this study was to evaluate the effect of leaf removal at veraison stage on the metabolites of fresh and dehydrated grapes of two indigenous Cypriot cultivars ('Mavro' and 'Xynisteri'), which are destined for the production of 'Commandaria', a protected designation of origin (PDO) premium sweet wine. RESULTS: Leaf removal led to a reduction of soluble solids, titratable acidity, aroma potential and most of the phenolic groups in the musts of both cultivars. Dehydration led to a significant increase in all of these parameters in both cultivars, being more pronounced in cv. 'Mavro'. Interestingly, leaf removal indicated differential response in the dehydrated product of the cultivars examined; liquid chromatography (LC‐DAD‐qTOF‐MS) data showed a significant decrease in phenolic compounds in 'Xynisteri' must (from 66.73 to 44.15 mg L−1), while 'Mavro' must registered similar values of phenolic compounds (from 94.78 to 96.72 mg L−1), but with a different distribution among phenolic groups. Intriguingly, flavonols and flavan‐3‐ols that present significant health‐promoting properties showed higher concentrations in the must from dehydrated 'Mavro' grapes that were subjected to preharvest leaf removal. CONCLUSIONS: Leaf removal at veraison stage followed by sun drying differentially affected the chemical composition of the examined cultivars. This preharvest application followed by postharvest dehydration was beneficial for cv. 'Mavro', while this was not the case for cv. 'Xynisteri'. The effects of leaf removal in other developmental stages (i.e. pre/post bloom stage) need to be dissected with the ultimate goal of providing an end product with high bioactive content. © 2018 Society of Chemical Industry [ABSTRACT FROM AUTHOR]

Abstract: The tandem dehydrogenation and aldol condensation of butanol with furfural was investigated over homogeneous and heterogeneous catalysts using kinetics and isotope effects. In the homogeneous system, Ni(dppe)Cl2 catalyzes the transfer dehydrogenation of butanol to the furfural, whereas the aldol condensation of butyraldehyde and furfural takes place over the basic K2CO3 cocatalyst. In the heterogeneous system, a transition‐metal‐free mixed Mg–Al oxide, both the transfer hydrogenation and aldol condensation take place over the basic sites of the catalyst, and the rate‐determining step is the alpha‐hydride transfer from the butanol to the furfural. [ABSTRACT FROM AUTHOR]

Abstract: Objectives: The aim of our study was to examine the association between ABCB1 polymorphisms G2677T/A (rs2032582) and C3435T (rs1045642) and common CYP2D6 variants, with the response to antipsychotic treatment of psychotic patients, in a naturalistic setting, in Greece. Methods: One hundred patients suffering from schizophrenia and other psychotic disorders were included in the study. Dosages were normalized to chlorpromazine equivalents. Response following 1 month of treatment was assessed as either a continuous variable, using the distribution of the corrected Positive and Negative Syndrome Scale percent change, or as a dichotomous variable defined as the number of patients scoring ≥30% from the corrected baseline Positive and Negative Syndrome Scale score. Genotyping was achieved with established polymerase chain reaction–restriction fragment length polymorphism methods. Results: With response treated as a continuous variable, the homozygous recessive rs2032582 genotypes (TT) who were simultaneously carriers of a loss‐of‐function CYP2D6 allele (*4 or *5) responded significantly worse than the rest of the patients. Comparison of genotype frequencies revealed a statistically significant association of the above combination. No significant association between chlorpromazine equivalents and the tested genotypes was detected. Conclusion: We have detected a possible interaction between ABCB1 and CYP2D6 in affecting response of psychotic patients to drug treatment, in a naturalistic setting. [ABSTRACT FROM AUTHOR]

A comparative study on the microstructural changes after conventional (20 °C s−1) and ultrafast (300 °C s−1) heating is performed on a medium carbon steel in the soft annealed condition. Continuous-heating dilatometry experiments are carried out. The phase transformations and the volume phase fraction of austenite are determined among other microstructural changes. The microstructure is first observed using Optical Microscopy (OM), further characterized by Scanning (SEM), and detailed analyzed by Transmission Electron Microscopy (TEM). The effect of heating rate on the kinetics of cementite dissolution and austenite formation is rationalized. The experimental results are compared with Dictra calculations, and the possible effects on the kinetics of diffusion-controlled austenite formation are rationalized as well. Metallographic observations indirectly suggest the enhanced nucleation of austenite above Am. [ABSTRACT FROM AUTHOR]

The article presents a case study of 31-year-old pregnant woman with thrombocytopenia. Examinations revealed macrothrombocytopenia in siblings and T nonsense mutation was identified in TUBB1 gene falls within amino acids part of the protein. Anti-β1-tubulin antibody was used which effects effect microtubule assembly.

Herein, we present work on the catalyst development and the kinetics of acetone-butanol-ethanol (ABE) condensation. After examining multiple combinations of metal and basic catalysts reported in the literature, Cu supported on calcined hydrotalcites (HT) was found to be the optimal catalyst for the ABE condensation. This catalyst gave a six-fold increase in reaction rates over previously reported catalysts. Kinetic analysis of the reaction over CuHT and HT revealed that the rate-determining step is the C−H bond activation of alkoxides that are formed from alcohols on the Cu surface. This step is followed by the addition of the resulting aldehydes to an acetone enolate formed by deprotonation of the acetone over basic sites on the HT surface. The presence of alcohols reduces aldol condensation rates, as a result of the coverage of catalytic sites by alkoxides. [ABSTRACT FROM AUTHOR]

BACKGROUND Consumer concerns regarding high-quality produce, free of pesticide residues, direct research towards disease management strategies that minimise or even exclude the use of synthetic chemistries in crop production. The efficacy of a chitosan-based edible coating combined with the acetonic extract of Salvia fruticosa Mill. (ASF) was assessed against the grey mould of table grapes. RESULTS HPLC-SPE-NMR and q-NMR analyses defined major constituents of ASF to be the flavonoids hispidulin, salvigenin and cirsimaritin and the diterpenes carnosic acid, carnosol and the 12-methoxycarnosic acid. The extract was found to be efficacious in reducing spore germination and mycelial growth of Botrytis cinerea in vitro at 10 and 25 °C. However, the combination of the ASF with chitosan 1% (w/v; CHIT) significantly improved fungal inhibition. Similarly, in fruit inoculation trials at 10 °C, the efficacy of the combined application of the ASF at 500 mg L−1 with CHIT against grey mould was statistically equal to the synthetic fungicide thiabendazole, ranging from 98.4% to 92.7% at 12 and 21 days post-inoculation, respectively. Furthermore, chitosan coating alone and in combination with ASF decreased the rate of fruit weight loss during cold storage, while preserved soluble solids content and titratable acidity. Chitosan-based coatings did not affect quality attributes and the bioactive compounds in table grapes. CONCLUSION The combined application of the ASF in the form of an edible coating with chitosan could effectively control B. cinerea without deteriorating quality and physico-chemical properties of grapes. © 2016 Society of Chemical Industry [ABSTRACT FROM AUTHOR]

Porphyromonas gingivalis is the main causative agent of periodontitis. It deregulates the inflammatory and innate host immune responses through virulence factors, which include the immunodominant outer-membrane surface receptor antigens A (PgRagA) and B (PgRagB), co-transcribed from the rag pathogenicity island. The former is predicted to be a Ton-dependent porin-type translocator but the targets of this translocation and the molecular function of PgRagB are unknown. Phenomenologically, PgRagB has been linked with epithelial cell invasion and virulence according to murine models. It also acts as a Toll-like receptor agonist and promotes multiple mediators of inflammation. Hence, PgRagB is a candidate for the development of a periodontitis vaccine, which would be facilitated by the knowledge of its atomic structure. Here, we crystallized and solved the structure of 54-kDa PgRagB, which revealed a single domain centered on a curved helical scaffold. It consists of four tetratrico peptide repeats (TPR1-4), each arranged as two helices connected by a linker, plus two extra downstream capping helices. The concave surface bears four large intertwined irregular inserts (A-D), which contribute to an overall compact moiety. Overall, PgRagB shows substantial structural similarity with Bacteroides thetaiotaomicron SusD and Tannerella forsythia NanU, which are, respectively, engaged in binding and uptake of malto-oligosaccharide/starch and sialic acid. This suggests a similar sugar-binding function for PgRagB for uptake by the cognate PgRagA translocator, and, consistently, three potential monosaccharide-binding sites were tentatively assigned on the molecular surface. [ABSTRACT FROM AUTHOR]

here is also increasing evidence that vaccination for SARS-CoV-2 may induce autoimmunity.3,4 Here, we present a case of histologically confirmed AIH after mRNA vaccination against SARS-CoV-2. A typical autoimmune hepatitis (AIH) case following Covid-19 mRNA vaccination. Autoimmune hepatitis following COVID-19 vaccination: true causality or mere association?. [Extracted from the article]

ARCIMBOLDO allows ab initio phasing of macromolecular structures below atomic resolution by exploiting the location of small model fragments combined with density modification in a multisolution frame. The model fragments can be either secondary-structure elements predicted from the sequence or tertiary-structure fragments. The latter can be derived from libraries of typical local folds or from related structures, such as a low-homology model that is unsuccessful in molecular replacement. In all ARCIMBOLDO applications, fragments are searched for sequentially. Correct partial solutions obtained after each fragment-search stage but lacking the necessary phasing power can, if combined, succeed. Here, an analysis is presented of the clustering of partial solutions in reciprocal space and of its application to a set of different cases. In practice, the task of combining model fragments from an ARCIMBOLDO run requires their referral to a common origin and is complicated by the presence of correct and incorrect solutions as well as by their not being independent. The F-weighted mean phase difference has been used as a figure of merit. Clustering perfect, non-overlapping fragments dismembered from test structures in polar and nonpolar space groups shows that density modification before determining the relative origin shift enhances its discrimination. In the case of nonpolar space groups, clustering of ARCIMBOLDO solutions from secondary-structure models is feasible. The use of partially overlapping search fragments provides a more favourable circumstance and was assessed on a test case. Applying the devised strategy, a previously unknown structure was solved from clustered correct partial solutions. [ABSTRACT FROM AUTHOR]

Life-cycle analysis (LCA) allows the scientific community to identify the sources of greenhouse gas (GHG) emissions of novel routes to produce renewable fuels. Herein, we integrate LCA into our investigations of a new route to produce drop-in diesel/jet fuel by combining furfural, obtained from the catalytic dehydration of lignocellulosic pentose sugars, with alcohols that can be derived from a variety of bio- or petroleum-based feedstocks. As a key innovation, we developed recyclable transition-metal-free hydrotalcite catalysts to promote the dehydrogenative cross-coupling reaction of furfural and alcohols to give high molecular weight adducts via a transfer hydrogenation-aldol condensation pathway. Subsequent hydrodeoxygenation of adducts over Pt/NbOPO4 yields alkanes. Implemented in a Brazilian sugarcane biorefinery such a process could result in a 53-79 % reduction in life-cycle GHG emissions relative to conventional petroleum fuels and provide a sustainable source of low carbon diesel/jet fuel. [ABSTRACT FROM AUTHOR]

In this paper, the production of powder enriched in lactoferrin ( Lf) and immunoglobulin G ( IgG) from untreated feta cheese whey is studied. More specifically, the influence of transmembrane pressure (Δ p) and temperature on flux and separation ability during ultrafiltration combined with continuous diafiltration is investigated. Two different types of membranes were used, a spiral polyvinylidene fluoride ( PVDF) (molecular weight cut-off [ MWCO ∼ 75 kDa) and a set of 18 cylindrical PVDF membranes ( MWCO ∼ 100 kDa). For the production of the whey powder, two drying methods were compared: spray and freeze drying. All combinations lead to powder with high total protein content and with a notable content in these two bioactive proteins. However, cylindrical membranes (at a temperature of 20°C and a transmembrane pressure of 4 bar) in combination with freeze drying resulted in the highest yield from whey into Lf and IgG and excellent sensory characteristics. Practical Applications Whey powder enriched in the multifunctional proteins lactoferrin and immunoglobulin G have very large potential both as nutrition additives and for pharmaceutical purposes. The systematic study of the parameters affecting all unit operations involved leads to the most efficient and cheapest production. In order to achieve this, the methodology was kept as simple and low cost as possible. This way, a strong tool could be created for the utilization of the cheese-making by-product whey, which still causes large environmental problems. [ABSTRACT FROM AUTHOR]

Aviation fuel (i.e., jet fuel) requires a mixture of C9-C16 hydrocarbons having both a high energy density and a low freezing point. While jet fuel is currently produced from petroleum, increasing concern with the release of CO2 into the atmosphere from the combustion of petroleum-based fuels has led to policy changes mandating the inclusion of biomass-based fuels into the fuel pool. Here we report a novel way to produce a mixture of branched cyclohexane derivatives in very high yield (>94 %) that match or exceed many required properties of jet fuel. As starting materials, we use a mixture of n-alkyl methyl ketones and their derivatives obtained from biomass. These synthons are condensed into trimers via base-catalyzed aldol condensation and Michael addition. Hydrodeoxygenation of these products yields mixtures of C12-C21 branched, cyclic alkanes. Using models for predicting the carbon number distribution obtained from a mixture of n-alkyl methyl ketones and for predicting the boiling point distribution of the final mixture of cyclic alkanes, we show that it is possible to define the mixture of synthons that will closely reproduce the distillation curve of traditional jet fuel. [ABSTRACT FROM AUTHOR]

Background/Aims Olanzapine (OLZ), an atypical antipsychotic, is licensed for use in the treatment of schizophrenia and other psychiatric disorders. Methods OLZ cytogenetic effects were investigated by evaluating the frequency of Sister Chromatid Exchanges (SCEs) and Proliferation Rate Index (PRI) in cultured lymphocytes of schizophrenic patients who were under treatment of OLZ. SCE estimation is one of the most sensitive biomarkers of potential cytotoxicity, while PRI is used as a valuable marker of cytostatic activity. Results Our results showed a statistically significant increase of SCEs in the cultured lymphocytes of patients ( p < 0,001) compared to the lymphocytes of healthy donors, a statistically significant increase of SCEs ( p < 0.001) in the lymphocytes of smoker patients compared to those of non-smoker patients and a statistically significant increase of SCEs ( p < 0.001) in the lymphocytes of chronic recipients of OLZ compared to those of the patients with recent initiation of treatment. We did not detect any statistically significant differences with respect to PRI between the various groups examined. Conclusions Our results indicate a mild cytotoxic-but not cytostatic-effect of OLZ which was more prominent in smokers and in chronically treated patients. That effect should be taken into consideration by psychiatrists upon assessing the benefit/risk ratio of their prescriptions. Copyright © 2015 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

α2- Macroglobulin (α2 M) has many functions in vertebrate physiology. To understand the basis of such functions, high-resolution structural models of its conformations and complexes with interacting partners are required. In an attempt to grow crystals that diffract to high or medium resolution, we isolated native human α2 M (hα2 M) and its counterpart from chicken egg white (ovostatin) from natural sources. We developed specific purification protocols, and modified the purified proteins either by deglycosylation or by conversion to their induced forms. Native proteins yielded macroscopically disordered crystals or crystals only diffracting to very low resolution (>20 Å), respectively. Optimization of native hα2 M crystals by varying chemical conditions was unsuccessful, while dehydration of native ovostatin crystals improved diffraction only slightly (10 Å). Moreover, treatment with several glycosidases hindered crystallization. Both proteins formed spherulites that were unsuitable for X-ray analysis, owing to a reduction of protein stability or an increase in sample heterogeneity. In contrast, transforming the native proteins to their induced forms by reaction either with methylamine or with peptidases (thermolysin and chymotrypsin) rendered well-shaped crystals routinely diffracting below 7 Å in a reproducible manner. [ABSTRACT FROM AUTHOR]

' Kathista' and ' Lortiko' are regarded as traditional and highly appreciated apple cultivars in Cyprus, yet their postharvest behaviour and phytochemical content are largely unknown. Such fruits were examined for their qualitative traits, phenolic composition and antioxidant capacity after harvest or short, intermediate or extended cold storage and additional ripening at room temperature ( RT), using 'Gala' as reference cultivar. Total phenolic content was dependent on cultivar and length of cold storage, while hydroxycinnamic acids were always at higher levels compared to total flavonols for all the examined cultivars. No clear trends regarding the influence of cold storage or RT maintenance on fruit antioxidant properties were evident. Overall, quality attributes and polyphenolic content of the traditional apple cultivars were comparable with 'Gala' at harvest; thus, they can be considered a good source of nutraceuticals as summer apple cultivars. However, extended cold storage deteriorates fruit behaviour and antioxidant capacity, particularly in 'Lortiko' fruit. [ABSTRACT FROM AUTHOR]

Biological and chemocatalytic processes are tailored in order to maximize the production of sustainable biodiesel from lignocellulosic sugar. Thus, the combination of hydrotalcitesupported copper(II) and palladium(O) catalysts with a modification of the fermentation from acetone-butanol-ethanol to isopropanol- butanol-ethanol predictably produces higher concentrations of diesel-range components in the alkylation reaction. [ABSTRACT FROM AUTHOR]

Small berry fruits are consumed because of their attractive colour and special taste, and are considered one of the richest sources of natural antioxidants. Their consumption has been linked to the prevention of some chronic and degenerative diseases. The term 'berry fruits' encompasses the so-called 'soft fruits', primarily strawberry, currants, gooseberry, blackberry, raspberry, blueberry and cranberry. The objective of this review is to highlight the nutraceutical value of berries and to summarize the factors affecting berry fruit antioxidants. Particular attention is given to postharvest and processing operation factors that may affect fruit phytochemical content. The structure-antioxidant relationships for phenolic compounds - the main group of antioxidants in this fruit group - are presented and major areas for future research are identified. © 2013 Society of Chemical Industry [ABSTRACT FROM AUTHOR]

ABSTRACT Introduction Triterpenic acids, such as maslinic acid and oleanolic acid, are commonly found in olive fruits and have been associated with many health benefits. The drying and extraction methods, as well as the solvents used, are critical factors in the determination of their concentration in plant tissues. Thus, there is an emerging need for standardisation of an efficient extraction protocol that determines triterpenic acid content in olive fruits. Objective To evaluate common extraction methods of triterpenic acids from olive fruits and to determine the effect of the drying method on their content in order to propose an optimum protocol for their quantification. Methodology The efficacy of different drying and extraction methods was evaluated through the quantification of maslinic acid and oleanolic acid contents using the reversed-phase HPLC technique. Results Data showed that ultrasonic assisted extraction with ethanol or a mixture of ethanol:methanol (1:1, v/v) resulted in the recovery of significantly higher amounts of triterpenic acids than other methods used. The drying method also affected the estimated triterpenic acid content; frozen or lyophilised olive fruit material gave higher yields of triterpenic acids compared with air-dried material at both 35°C and 105°C. Conclusion This study provides a rapid and low-cost extraction method, i.e. ultrasonic assisted extraction with an eco-friendly solvent such as ethanol, from frozen or lyophilised olive fruit for the accurate determination of the triterpenic acid content in olive fruit. Copyright © 2011 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

SUMMARY We describe experience on design and implementation of an efficient count sort algorithm on Compute Unified Device Architecture graphics processing units. The novelty of this work is twofold. At first, we propose a count sort algorithm for integers that needs no synchronization at its last step and thus, offers superior performance. At second, this work contributes ad hoc techniques for optimizing the performance of the algorithm on Compute Unified Device Architecture-enabled graphics processing units. Copyright © 2011 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

Leaf chlorophyll content is correlated with photosynthetic activity indicators and leaf nitrogen concentration. Three cycles of divergent mass selection for chlorophyll content were performed to estimate heritability, response to selection, and correlated changes in grain yield for these traits in a synthetic maize (Zea mays L.) population. Selection for high and low chlorophyll content was performed in the field using the SPAD chlorophyll meter, and response to selection was measured in field evaluations of the C0, C1, C2, and C3 populations. The divergent selection responses cycle-1 were 1.2 SPAD unit increase versus 0.2 decrease at anthesis and 0.9 increase versus 0.9 decrease at grain-filling period relative to the base average of 55.9 and 53.5, respectively. The C3 high and low selections showed significant differences in chlorophyll content at anthesis and grain filling stages, but no significant selection indirect response was detected for grain yield. Thus, our data indicate that leaf chlorophyll content is heritable and that it can be manipulated through conventional breeding methodology. Additional cycles of chlorophyll content selection are needed to determine if chlorophyll content will be useful as an indirect selection criterion for yield improvement. [ABSTRACT FROM AUTHOR]

Biofilm formation by marine hydrocarbonoclastic bacteria is commonly observed and has been recognized as an important mechanism for the biodegradation of hydrocarbons. In order to colonize new oil-water interfaces, surface-attached communities of hydrocarbonoclastic bacteria must release cells into the environment. Here we explored the physiology of cells freshly dispersed from a biofilm of Marinobacter hydrocarbonoclasticus developing at the hexadecane-water interface, by combining proteomic and physiological approaches. The comparison of the dispersed cells' proteome with those of biofilm, logarithmic- and stationary-phase planktonic cells indicated that dispersed cells had lost most of the biofilm phenotype and expressed a specific proteome. Two proteins involved in cell envelope maturation, DsbA and CtpA, were exclusively detected in dispersed cells, suggesting a reshaping of the cell envelopes during biofilm dispersal. Furthermore, dispersed cells exhibited a higher affinity for hexadecane and initiated more rapidly biofilm formation on hexadecane than the reference planktonic cells. Interestingly, storage wax esters were rapidly degraded in dispersed cells, suggesting that their observed physiological properties may rely on reserve mobilization. Thus, by promoting oil surface colonization, cells emigrating from the biofilm could contribute to the success of marine hydrocarbonoclastic bacteria in polluted environments. [ABSTRACT FROM AUTHOR]

Effective winter maintenance of motorways is highly dependent on local topography and weather and can be a significant economic factor in overall maintenance costs. In the present paper, a temperature profile of a highway road surface is obtained through infrared thermography measurements and then compared to numerical weather forecasts using the COAMPS (Coupled Ocean/Atmosphere Mesoscale Prediction System) mesoscale weather prediction model. The highway under examination is a 26 km portion of the Egnatia motorway in northern Greece, which includes a number of twin-bore tunnels and cantilever bridges. Points of significant temperature variation are found at tunnel exits but the trend in the temperature profile is similar over different days of observations. Comparison of mesoscale numerical forecasts with measured values of air and road surface temperature shows encouraging agreement under typical clear winter night conditions with moderate wind. This suggests that current weather prediction modelling capabilities may be acceptable as a useful first approximation but also shows the gap that must be filled for accurate prediction of local road surface conditions. Copyright © 2010 Royal Meteorological Society [ABSTRACT FROM AUTHOR]

Purpose: We aimed to study the stability and the in vitro antibacterial potency of ceftazidime and vancomycin eyedrops against Pseudomonas aeruginosa and Staphylococcus aureus, respectively, under different storage temperatures and light conditions. Methods: Solutions of ceftazidime 50 mg/ml and vancomycin 50 mg/ml were prepared by reconstituting with balanced salt solution (BSS®) and stored at 4 °C and at 24 °C with and without exposure to light. The minimum bactericidal concentrations against P. aeruginosa and S. aureus were measured to evaluate the antimicrobial potency over a 4-week period. Changes in the pH values and physical characteristics of the solutions were recorded over the same period of time. Results: The antibacterial potency of ceftazidime decreased significantly from days 3 and 7 onwards at storage temperatures of 24 °C and 4 °C, respectively, but was not affected by light exposure. The pH value progressed from acidic to alkaline, peaking at day 3, in all solutions. The antibacterial potency of vancomycin remained stable during the 4-week period, but its pH showed a slight progression from acidic to less acidic, in all solutions. Conclusions: Ceftazidime eyedrops in BSS® appear to remain effective against P. aeruginosa for ≥ 7 days when stored at 4 °C, but were less effective when stored at 24 °C. Loss of antibacterial potency coincides with the appearance of visual and olfactory signs of degradation. The transient rise in pH at day 3 is a matter of possible concern, however, as it may affect patient tolerance. By contrast, vancomycin eyedrops in BSS® can be safely used for ≥ 4 weeks, stored at either 4 °C or 24 °C. [ABSTRACT FROM AUTHOR]