Miracle-dz/UniFAR-FTUs huggingface dataset:
The Theory of Reactions Involving Proton Transfers

The majority of reactions catalysed by acids or bases have been found to be catalysed not only by hydrogen ions (or hydroxyl ions), but by all molecular species which are acids or bases in the sense of modern definitions of these terms. In all such reactions which have been investigated quantitatively, the relative efficiencies of different catalysts have been found to conform to the following relation, due to Bronsted, kc = GK1 x , (1) where kc is the catalytic constant of a given acid (or base), and K1 is its electrolytic dissociation constant. G and x are constants for the same substrate at the same temperature. This relation holds accurately for a series of acids or bases of the same type ( e. g. , carboxylic acids, or amino bases), and roughly for different types. Equation (1) is essentially empirical, and it is the object of the present paper to provide it with some theoretical basis.
Electron Localization on Molecular Surfaces by Metal Adsorption

The ability of metal adsorption to transfer charge to the surface of single molecular carbon sheets is explored in this paper. Though other metals are considered we basically will deal with Lithium We concentrate on fairly small sheets and examined the minimum threshold size of a molecular surface needed to separate metals. From our quantum chemical calculations we deduce that a molecular surface of six benzene rings is needed for Lithium dimers to be separated. We further observe symmetry breaking, when two lithium atoms are adsorbed right opposite to each other on the two sides of the sheet.
Polyphenols as Prebiotics in the Management of High-Fat Diet-Induced Obesity: A Systematic Review of Animal Studies

Obesity is a disease growing at an alarming rate and numerous preclinical studies have proven the role of polyphenols in managing this disease. This systematic review explores the prebiotic effect of polyphenols in the management of obesity among animals fed on a high-fat diet. A literature search was carried out in PubMed, Scopus, CINAHL, Web of Science, and Embase databases following the PRISMA guidelines. Forty-four studies reported a significant reduction in obesity-related parameters. Most notably, 83% of the studies showed a decrease in either body weight/visceral adiposity/plasma triacylglyceride. Furthermore, 42 studies reported a significant improvement in gut microbiota (GM), significantly affecting the genera Akkermansia, Bacteroides, Blautia, Roseburia, Bifidobacteria, Lactobacillus, Alistipes, and Desulfovibrio. Polyphenols’ anti-obesity, anti-hyperglycaemic, and anti-inflammatory properties were associated with their ability to modulate GM. This review supports the notion of polyphenols as effective prebiotics in ameliorating HFD-induced metabolic derangements in animal models.
Acceptability of psychologically-based pain management and online delivery for people living with HIV and chronic neuropathic pain: a qualitative study

Abstract Objectives Chronic neuropathic pain is common in people living with HIV. Psychological treatments can improve quality of life for people with chronic pain in general, and online delivery can increase access to these treatments. However, the acceptability of psychological treatment and online delivery have not been investigated in-depth in people living with HIV and chronic neuropathic pain. Therefore, a qualitative study was undertaken to explore views about a psychological treatment for pain management in this population and to investigate the acceptability of online treatment delivery. Methods Qualitative interviews were conducted and analysed using inductive thematic analysis, adopting a critical realist perspective. Twenty-six people living with HIV and chronic neuropathic pain completed semi-structured interviews. Their views about a psychological treatment for pain management and online delivery were explored in-depth. Results Three themes and 12 subthemes were identified. Theme one represents a desire for a broader approach to pain management, including not wanting to take more pills and having multidimensional goals that were not just focussed on pain relief. Theme two includes barriers to online psychologically-based pain management, including concerns about using the Internet and confidentiality. Theme three describes treatment facilitators, including accessibility, therapist support, social connection, and experiencing success. Conclusions A psychological treatment for chronic neuropathic pain management appears acceptable for people living with HIV. Therapist-supported online delivery of cognitive-behavioural pain management may be acceptable for people living with HIV given appropriate development of the treatment to address identified barriers to engagement. These data can inform developments to enhance engagement in online psychologically-informed pain management in people living with HIV and more broadly in remote delivery of psychological treatments.
FODMAP intake in children with coeliac disease influences diet quality and health-related quality of life and has no impact on gastrointestinal symptoms

Abstract Children with coeliac disease (CD) following the gluten-free diet may experience ongoing gastrointestinal symptoms despite strict adherence. The study objective was to evaluate the association between foods high in fermentable oligo/di/monosaccharides, and polyols (FODMAP) and gastrointestinal symptoms, and the potential implications to diet quality and health-related quality of life in CD children. Dietary intake was studied in age-sex matched children 5–18 years (CD, n = 46; non-coeliac mild chronic gastrointestinal complaints [GIC], n = 46; healthy controls [HC], n = 46). CD children consumed fewer foods high in FODMAPs compared to GIC and HC (p < .0001). FODMAP intake was not related to gastrointestinal symptoms in CD children (p > 0.05) but was positively associated with child health-related quality of life (p < 0.05). FODMAP intake from fruits and vegetables was positively associated with diet adequacy and total diet quality in CD children (p < 0.05). FODMAP intake may influence diet quality and health-related quality of life but has no impact on gastrointestinal symptoms in CD children.
Biosensor-Based Directed Evolution of Methanol Dehydrogenase from Lysinibacillus xylanilyticus

Methanol dehydrogenase (Mdh), is a crucial enzyme for utilizing methane and methanol as carbon and energy sources in methylotrophy and synthetic methylotrophy. Engineering of Mdh, especially NAD-dependent Mdh, has thus been actively investigated to enhance methanol conversion. However, its poor catalytic activity and low methanol affinity limit its wider application. In this study, we applied a transcriptional factor-based biosensor for the direct evolution of Mdh from Lysinibacillus xylanilyticus (Lxmdh), which has a relatively high turnover rate and low KM value compared to other wild-type NAD-dependent Mdhs. A random mutant library of Lxmdh was constructed in Escherichia coli and was screened using formaldehyde-detectable biosensors by incubation with low methanol concentrations. Positive clones showing higher fluorescence were selected by fluorescence-activated cell sorting (FACS) system, and their catalytic activities toward methanol were evaluated. The successfully isolated mutants E396V, K318N, and K46E showed high activity, particularly at very low methanol concentrations. In kinetic analysis, mutant E396V, K318N, and K46E had superior methanol conversion efficiency, with 79-, 23-, and 3-fold improvements compared to the wild-type, respectively. These mutant enzymes could thus be useful for engineering synthetic methylotrophy and for enhancing methanol conversion to various useful products.
Functionalization Mechanism of Reduced Graphene Oxide Flakes with BF3·THF and Its Influence on Interaction with Li+ Ions in Lithium-Ion Batteries

Doping of graphene and a controlled induction of disturbances in the graphene lattice allows the production of numerous active sites for lithium ions on the surface and edges of graphene nanolayers and improvement of the functionality of the material in lithium-ion batteries (LIBs). This work presents the process of introducing boron and fluorine atoms into the structure of the reduced graphene during hydrothermal reaction with boron fluoride tetrahydrofuran (BF3·THF). The described process is a simple, one-step synthesis with little to no side products. The synthesized materials showed an irregular, porous structure, with an average pore size of 3.44–3.61 nm (total pore volume (BJH)) and a multi-layer structure and a developed specific surface area at the level of 586–660 m2/g (analysis of specific surface Area (BET)). On the external surfaces, the occurrence of irregular particles with a size of 0.5 to 10 µm was observed, most probably the effect of doping the graphene structure and the formation of sp3 hybridization defects. The obtained materials show the ability to store electric charge due to the development of the specific surface area. Based on cyclic voltammetry, the tested material showed a capacity of 450–550 mAh/g (charged up to 2.5 V).
Extensive Posterolateral Approach for Giant Spinal Epidural Tumors.

OBJECTIVE Our objective was to determine the safety, efficacy, and surgical outcome of an extensive posterolateral approach for giant spinal epidural tumors. MATERIALS AND METHODS Our clinical study included 12 patients with various giant primary tumors and metastases of the spine, who underwent surgery between 2008 and 2019. The surgical procedure consisted of costotransversectomy, laminectomy, corpectomy, tumor resection, spinal column stabilization, and reconstruction. Neurological status examination and pain assessment were recorded at the time of admission, upon discharge and at outpatient check-up. RESULTS In our clinical sample, there were no major perioperative complications. All patients were discharged from the intensive care unit back to the hospital department within a week after the surgery. Postoperative follow-up showed no deterioration of neurological status. Furthermore, there was a moderate to significant improvement of paraparesis in all patients for weeks after surgery. The most notable improvement was significant pain relief in all the patients. None of the patients had issues with failure of the implanted hardware. Two patients died less than six months after the surgery due to the progression of the primary malignant process. CONCLUSION An extensive posterolateral approach to giant spinal epidural tumors is an effective one-step approach. It presents a good compromise between invasiveness and sufficient exposure for both tumor resection and spinal column reconstruction. Good short-term clinical improvement can be achieved, but the long term results depend on the advancement of the initial disease. Careful evaluation and selection of patients are necessary to achieve clinical improvement and prolonged life expectancy, and the best results are achieved with a multidisciplinary approach.
Plasmon and Plexciton Driven Interfacial Catalytic Reactions

In this review, we focus on the summary of catalytic reaction driven by surface plasmons and plexciton, where the plexciton is the interaction between plasmon and exciton. We first review the reduction and oxidation reactions driven by plasmons, and analyze the role of plasmons in the two reactions. We then summarize the recent research on the surface catalytic reactions driven by plasmon‐exciton coupling and discuss the promotion effect of coupling interaction in oxidation reaction and reduction reaction. The coupling effect of plasmons and excitons can successfully improve the efficiency of catalytic reactions. Finally, this paper demonstrates the research progress in the electrooptical synergic plasmon‐exciton co‐driven surface catalytic reactions.
Hard x-ray methods for studying the structure of amorphous thin films and bulk glassy oxides

High-energy photon diffraction minimizes many of the corrections associated with laboratory x-ray diffractometers, and enables structure factor measurements to be made over a wide range of momentum transfers. The method edges us closer toward an ideal experiment, in which coordination numbers can be extracted without knowledge of the sample density. Three case studies are presented that demonstrate new hard x-ray methods for studying the structure of glassy and amorphous materials. First, the methodology and analysis of high-energy grazing incidence on thin films is discussed for the case of amorphous In2O3. The connectivity of irregular InO6 polyhedra are shown to exist in face-, edge- and corner-shared configurations in the approximate ratio of 1:2:3. Secondly, the technique of high-energy small and wide angle scattering has been carried out on laser heated and aerodynamically levitated samples of silica-rich barium silicate (20BaO:80SiO2), from the single phase melt at 1500 oC to the phase separated glass at room temperature. Based on Ba–O coordination numbers of 6 to 7, it is argued that the although the potential of Ba is ionic, it is weak enough to cause the liquid–liquid immiscibility to become metastable. Lastly, high-energy small and wide angle scattering has also been applied to high water content (up to 12 wt.%) samples of hydrous SiO2 glass quenched from 1500 oC at 4 GPa. An increase of Si1–O2 correlations at 4.3 Å is found to be consistent with an increase in the population of three-membered SiO4 rings at the expense of larger rings.
Current Technologies for the Thermo-Conversion of Biomass into Fuels and Chemicals

Pyrolysis and steam gasification processes for biomass conversion has proved to be economical in the production of chemicals, fuels, and polymers. The biomass pyrolysis oils are dark brown viscous liquids. The biomass gasification process is similar to processes used for many years by chemical and petrochemical manufacturers, including methanol, ammonia and ethylene producers. Bio-oils prepared by liquefaction of wood comprised a complex mixture of volatile organic acids, alcohols, aldehydes, ethers, esters, ketones, furans, phenols, hydrocarbons, and nonvolatile components. The oil yield was higher with the catalytic aqueous liquefaction than with the non-catalytic aqueous liquefaction.
Collaborative Indoor Positioning Systems: A Systematic Review

Research and development in Collaborative Indoor Positioning Systems (CIPSs) is growing steadily due to their potential to improve on the performance of their non-collaborative counterparts. In contrast to the outdoors scenario, where Global Navigation Satellite System is widely adopted, in (collaborative) indoor positioning systems a large variety of technologies, techniques, and methods is being used. Moreover, the diversity of evaluation procedures and scenarios hinders a direct comparison. This paper presents a systematic review that gives a general view of the current CIPSs. A total of 84 works, published between 2006 and 2020, have been identified. These articles were analyzed and classified according to the described system’s architecture, infrastructure, technologies, techniques, methods, and evaluation. The results indicate a growing interest in collaborative positioning, and the trend tend to be towards the use of distributed architectures and infrastructure-less systems. Moreover, the most used technologies to determine the collaborative positioning between users are wireless communication technologies (Wi-Fi, Ultra-WideBand, and Bluetooth). The predominant collaborative positioning techniques are Received Signal Strength Indication, Fingerprinting, and Time of Arrival/Flight, and the collaborative methods are particle filters, Belief Propagation, Extended Kalman Filter, and Least Squares. Simulations are used as the main evaluation procedure. On the basis of the analysis and results, several promising future research avenues and gaps in research were identified.
Secretion of von Willebrand Factor and Suppression of ADAMTS-13 Activity by Markedly High Concentration of Ferritin

Hyperferritinemia is associated with poor outcomes in critically ill patients with sepsis, hemophagocytic lymphohistiocytosis (HLH), macrophage activation syndromes (MAS) and coronavirus disease 19 (COVID-19). Autopsies of hyperferritinemic patients that succumbed to either sepsis, HLH, MAS or COVID-19 have revealed disseminated microvascular thromboses with von Willebrand factor (VWF)-, platelets-, and/or fibrin-rich microthrombi. It is unknown whether high plasma ferritin concentration actively promotes microvascular thrombosis, or merely serves as a prognostic biomarker in these patients. Here, we show that secretion of VWF from human umbilical vein endothelial cells (HUVEC) is significantly enhanced by 100,000 ng/ml of recombinant ferritin heavy chain protein (FHC). Ferritin fraction that was isolated by size exclusion chromatography from the plasma of critically ill HLH patients promoted VWF secretion from HUVEC, compared to similar fraction from non-critically ill control plasma. Furthermore, recombinant FHC moderately suppressed the activity of VWF cleaving metalloprotease ADAMTS-13. These observations suggest that a state of marked hyperferritinemia could promote thrombosis and organ injury by inducing endothelial VWF secretion and reducing the ADAMTS-13 activity.
TKP, a Serine Protease from Trichosanthes kirilowii, Inhibits Cell Proliferation by Blocking Aerobic Glycolysis in Hepatocellular Carcinoma Cells

Abstract Aim Hepatocellular carcinoma (HCC) is one of the most common malignant tumors. TKP is a serine protease extracted from the fruit of Trichosanthes kirilowii. We investigated the impact of TKP on the proliferation of HCC cells and its underlying mechanisms. Methods Bel-7402 and HepG2 cell viability and colony formation capacity were evaluated using MTT and colony formation assays, respectively. Glucose uptake and lactate production were determined using glucose and lactate assay kits. The mRNA expressions of GLUT1, PDK, LDHA, PKM2, β-catenin, c-Myc, and HnRNPA1 were assessed using real-time PCR analysis. Protein expression and the distribution of PKM2 were examined by western blot assay. Results TKP significantly inhibited Bel-7402 and HepG2 cell survival and colony formation capacity. The IC50 values of TKP against Bel-7402 and HepG2 cells were 31.37 ± 1.33 and 27.41 ± 0.81 μg/mL, respectively. TKP restrained aerobic glycolysis. TKP decreased the expression level, nuclear protein level and pyruvate kinase activity of PKM2, whereas overexpression PKM2 reversed the suppression of TKP on glycolysis. TKP inhibited the β-catenin/c-Myc/HnRNPA1 pathway. LiCl treatment partly rescued the inhibitory effects of TKP on PKM2, aerobic glycolysis, and cell viability. Conclusion TKP suppresses HCC cell proliferation via blocking PKM2-dependent glycolysis, which is regulated by inhibiting the β-catenin/c-Myc/HnRNPA1 pathway.
Elevated Intestinal Inflammation in Preterm Infants With Signs and Symptoms of Gastroesophageal Reflux Disease

Objectives: Reflux is common in infancy; however, persistent signs and symptoms of gastrointestinal distress are often attributed to gastroesophageal reflux disease (GERD). In this pilot study, we aimed to characterize associations between signs and symptoms of suspected GERD and noninvasive markers of intestinal inflammation in preterm infants. Methods: We reviewed Electronic Medical Record (EMR) data to identify clinical signs and symptoms among case patients (n = 16). Controls (n = 16) were matched on gestational age. Univariate and multivariate regression analyses were used to compare fecal calprotectin and urinary intestinal fatty acid binding protein (I-FABP) levels between cases and controls. Results: We found no differences in baseline characteristics between cases and controls. In the multivariate regression analysis controlling for the proportion of mother’s milk, cases had higher fecal calprotectin levels than controls, with no differences in I-FABP levels between cases and controls. Conclusion: Our findings suggest that preterm infants with signs and symptoms of GERD have higher levels of intestinal inflammation as indicated by fecal calprotectin compared to their controls. Further studies are needed to evaluate the role of intestinal inflammation in signs and symptoms of gastrointestinal distress and whether fecal calprotectin might have predictive value in diagnosing GERD.
Nut and legume consumption and human health: an umbrella review of observational studies

Abstract Consumption of nuts and legumes has been associated with several health benefits. The aim of this study was to systematically review existing meta-analyses of observational studies on nut and legume intake and non-communicable diseases, and assess the level of evidence. Out of the six meta-analyses focussed on legume and 15 on nut intake, a possible association with decreased risk of colorectal adenoma and coronary heart disease was found for higher legume consumption, and a decreased risk of cardiovascular and cancer mortality, colon cancer, hypertension and ischaemic stroke for higher nut consumption. The association between legume consumption and cardiovascular diseases (CVDs), as well as nut consumption and risk of cancer, CVD incidence and all-cause mortality, was deemed as “limited” due to heterogeneity between results and/or potential confounding factors. General benefit towards better health can be observed for nut and legume consumption. Further studies are needed to better elucidate potential confounding factors.
Social media use and friendship closeness in adolescents' daily lives: An experience sampling study.

The formation and maintenance of friendship closeness is an important developmental task in adolescence. To obtain insight in real-time processes that may underly the development of friendship closeness in middle adolescence, this preregistered experience sampling study [ESM] investigated the effects of social media use on friendship closeness. The study was conducted among 387 adolescents (54% girls; Mage = 14.11 years; 96% Dutch) from different educational tracks (44% lower prevocational secondary education, 31% intermediate general secondary education, 26% academic preparatory education). Adolescents reported six times per day for 3 weeks on their Instagram, WhatsApp, and Snapchat use in the previous hour and their momentary experiences of friendship closeness (126 assessments; 34,930 observations). Multilevel analyses revealed positive between-person associations of friendship closeness with general WhatsApp use and Instagram use with close friends. In contrast, at the within-person level, we found small negative overall associations of general WhatsApp use and Instagram use (with and without close friends) with friendship closeness. However, there was large heterogeneity in the person-specific effect sizes of the within-person associations of social media use with friendship closeness. For example, person-specific effect sizes of the association of Instagram use with close friends with friendship closeness ranged from β = -. 745 to β = . 697. These results underline the importance of acknowledging person-specific effects in developmental and media effect theories. (PsycInfo Database Record (c) 2021 APA, all rights reserved).