bluuebunny/crossref_metadata_2025_split huggingface dataset:
Identifying mineral decrement with bone injury by quantifying osteocalcin on current‐volt sensor
Authors: Bi Huanjie , Bian Peimin , Gopinath Subash C. B. , Marimuthu Kasi , Lv Genbing , Yin XinHua 
Published: October 2021

AbstractOsteoporosis, a bone disease is caused by the deterioration of bone and shows an enhanced risk of bone fracture and decreasing bone mineral density. Unfortunately, the available radiological techniques are expensive, and have disadvantages such as radiation intake, need a specialist to handle the instrument, and so forth. This research is focused to develop a point‐of‐care system to identify osteocalcin on current‐volt sensor, which helps to diagnose the bone metabolism and prognostics. Antiosteocalcin antibody was attached on the electrode through the silane‐modified iron material. The antibody‐immobilized sensing surface was utilized to identify the level of osteocalcin and the detection limit of 100 pg/ml reached on linear concentrations of 0.01–3000 ng/ml. Calculations were made by triplicates (n = 3; 3δ) on the determination coefficient ofy = 0.2637x–0.6012;R2= 0.9319. Further, control proteins failed to bind with immobilized antibody, confirmed by the specific osteocalcin detection. This research is to identify the osteoporosis biomarker and to help determine the conditions with osteoporosis.
An electrochemical aptasensor for detection of prostate‐specific antigen using reduced graphene gold nanocomposite and Cu/carbon quantum dots
Authors: Mehdipour Golnaz , Shabani Shayeh Javad , Omidi Meysam , Pour Madadi Mehrab , Yazdian Fatemeh , Tayebi Lobat 
Published: October 2021

AbstractWe report a label‐free electrochemical aptamer‐based biosensor for the detection of human prostate‐specific antigen (PSA). The thiolate DNA aptamer against PSA was conjugated to the reduced graphene oxide/Au (RGO‐Au) nanocomposite through the self‐assembly of Au‐S groups. Owing to the large volume to surface ratio, the RGO‐Au nanocomposite provides a large surface for aptamer loading. The RGO‐Au/aptamer was combined with a Nafion polymer and immobilized on a glassy carbon electrode. The interaction of aptamer with PSA was studied by cyclic voltammetry, square wave voltammetry, and electrochemical impedance spectroscopy. The detection of limit for prepared electrode was obtained about 50 pg/mL at the potential of 0.4 V in potassium hexacyanoferrate [K4Fe(CN)6] medium. To decrease the limit of detection (LOD) and applied potential of the prepared nanoprobe Cu/carbon quantum dots (CuCQD) is introduced as a new redox. The results show that this new electrochemical medium provides better conditions for the detection of PSA. LOD of a nanoprobe in CuCQD media was obtained as 40 pg/mL at the potential of −0.2 V. Under optimal conditions, the aptasensor exhibits a linear response to PSA with a LOD as small as 3 pg/mL. The present aptasensor is highly selective and sensitive and shows satisfactory stability and repeatability.
Estimating the correlation between semi‐competing risk survival endpoints
Authors: Sorrell Lexy , Wei Yinghui , Wojtyś Małgorzata , Rowe Peter 
Published: October 2021

AbstractTime‐to‐event, bivariate, semi‐competing risk data occur when a terminal event can censor a non‐terminal event, but not vice versa. There are potential correlations between these endpoints as they are measured on the same individual. However, traditional methods to estimate the correlations cannot be used directly due to the censoring of time‐to‐event endpoints. We develop methods using a copula‐based approach to study the dependence structures between the two survival endpoints. We use a variety of copulas to estimate the correlation between endpoints and to acknowledge different dependence structures. The estimated association parameter in the copula function is transformed into Spearman's rank correlation coefficient. We conduct a simulation study to evaluate the estimation from the proposed models along with the effects of misspecification of the copula functions and survival distributions. The proposed methods are applied to two real‐life data sets.
Stability assessment of FDA‐approved ramucirumab monoclonal antibody; validated SE‐HPLC method for degradation pattern evaluation
Authors: Abdelghaffar Sara Hesham , Hegazy Maha Abdelmonem , Eltanany Basma Mohamed 
Published: October 2021

AbstractRamucirumab (RAMU) is a recently US Food and Drug Administration‐approved monoclonal antibody that is included in various anticancer protocols. It has a structural complexity and high degradation risk that have a significant effect on its safety and effectiveness. The major aim of this work was to assess the degradation pattern of RAMU based on physicochemical characterization. Mechanical agitation, repeated freeze–thaw cycles, pH and temperature were the selected stress conditions to which RAMU samples were subjected. The SE‐HPLC method was applied and validated to monitor the RAMU monomer along with its aggregates and/or fragments. The purity of the separated peaks together with system suitability parameters were determined through the calculation of percentage purity and percentage drop in RAMU concentration. The results were interpreted by correlating them with those of dynamic light scattering and reducing and non‐reducing sodium dodecyl sulfate–polyacrylamide gel electrophoresis. Samples incubated at pH 2.0–10.0 and 37°C for up to 4 weeks were analysed, recording detection of reversed phase (RP) aggregates and low molecular weight peptide fragments. Similarly, samples under short‐term storage conditions of 4 weeks at different temperatures (−20, 2–8, 25, 37 and 50°C) showed low molecular weight peptide fragments but to a lesser extent. These results highlight the alarming effect on RAMU multidose vial efficacy and safety.
Structure and agency in capabilities‐enhancing homeless services: Housing first, housing quality and consumer choice
Authors: Greenwood Ronni Michelle , Manning Rachel M. , O'Shaughnessy Branagh R. , Vargas‐Moniz Maria J. , Auquier Pascal , Lenzi Michela , Wolf Judith , Bokszczanin Anna , Bernad Roberto , Källmén Håkan , Spinnewijn Freek , Ornelas Jose ,   the Home_EU Consortium
Published: October 2021

AbstractThe capabilities approach, a framework for understanding and measuring inequality, stipulates that equality is best understood as the freedom to do and be within a particular context. Homelessness has been referred to as a situation of ‘capabilities deprivation’, and the extent to which homeless services restore or enhance capabilities is of increasing interest. As part of a large, eight‐country study of homelessness in Europe, we examined the extent to which adults with histories of homelessness perceived the services they receive as capabilities‐enhancing. We collected data at two time points: baseline (nt1 = 565) and follow‐up (nt2 = 399). Measures included perceived capabilities, choice and housing quality. Participants engaged with Housing First (HF) programmes perceived services as more capabilities‐enhancing than participants engaged with treatment as usual (TAU); this relationship was mediated by consumer choice and perceived housing quality. Implications for social policy, practice and training are discussed.
Chemical Composition and Phytotoxic Activity of Artemisia selengensis Turcz. Volatiles
Authors: Shi Kai , Zhou Shixing , Lei Lijing , Huang Ling , Zhang Chi , Shao Hua 
Published: October 2021

AbstractThe chemical profile and allelopathic action of the volatiles produced by Artemisia selengensis were studied. Artemisia selengensis was found to release volatile chemicals to the environment to influence other plants’ growth, which suppressed the root length of Amaranthus retroflexus and Poa annua by 50.46 % and 87.83 % under 80 g/1.5 L treatment, respectively. GC/MS analysis led to the identification of 41 compounds (by hydrodistillation, HD) and 48 compounds (by headspace solid‐phase microextraction, HS‐SPME), with eucalyptol (15.45 % by HD and 28.09 % by HS‐SPME) being detected as the most abundant constituent. The essential oil (EO) of A. selengensis completely inhibited the seed germination of A. retroflexus and P. annua at 1 mg/mL and 0.5 mg/mL, respectively. However, eucalyptol displayed much weaker activity compared with the EO, indicating that other less abundant constituents might contribute significantly to the EO's activity. Our study is the first report on the phytotoxicity of A. selengensis EO, suggesting that A. selengensis might release allelopathic volatile agents into the environment that negatively affect other plants’ development so as to facilitate its own dominance; the potential value of utilizing A. selengensis EO as an environmentally friendly herbicide is also discussed.
Investigation on the Phytochemical Composition, Antioxidant and Enzyme Inhibition Potential of Polygonum Plebeium R.Br: A Comprehensive Approach to Disclose New Nutraceutical and Functional Food Ingredients
Authors: Saleem Muhammad , Shazmeen Natasha , Nazir Mamona , Riaz Naheed , Zengin Gokhan , Ataullah Hafiz Muhammad , Qurat‐ul‐Ain  , Nisar Farrukh , Mukhtar Mahreen , Tousif Muhammad Imran 
Published: October 2021

AbstractThe present work describes medicinal potential and secondary metabolic picture of the methanol extract (PP‐M) of Polygonum plebeium R.Br. and its fractions; hexane (PP‐H), ethyl acetate (PP‐E) and water (PP‐W). In total bioactive component estimation, highest contents of phenolic (89.38±0.27 mgGAE/g extract) and flavonoid (51.21±0.43 mgQE/g extract) were observed in PP‐E, and the same fraction exhibited the highest antioxidant potential in DPPH (324.80±4.09 mgTE/g extract), ABTS (563.18±11.39 mgTE/g extract), CUPRAC (411.33±15.49 mgTE/g extract) and FRAC (369.54±1.70 mgTE/g extract) assays. In Phosphomolybdenum activity assay, PP‐H and PP‐E showed nearly similar potential, however, PP‐H was the most active (13.54±0.24 mgEDTAE/g extract) in metal chelating activity assay. PP‐W was the stronger inhibitor (4.03±0.05 mgGALAE/g extract) of the enzyme AChE, while PP‐H was potent inhibitor of BChE (5.62±0.27 mg GALAE/g extract). Interestingly, PP‐E was inactive against BChE. Against tyrosinase activity, PP‐E was again the most active fraction with inhibitory value of 71.89±1.44 mg KAE/g extract, followed by the activity of PP‐M and PP‐W. Antidiabetic potential was almost equally distributed among PP‐M, PP‐H and PP‐E. For mapping the chemodiversity of P. plebeium, PP‐M was analyzed through UHPLC/MS, which led to the identification of more than 50 compounds. Flavonoids were the main components derived from isovitexin, kaempferol and luteolin however, gallic acid, protocatechuic acid, gingerols and lyoniresinol 9′‐sulfate were among important bioactive phenols. These findings prompted to conclude that Polygonum plebeium can be a significant source to offer new ingredient for nutraceuticals and functional foods.
Controlling Enzymatic Activity by Modulating the Oligomerization State via Chemical Rescue and Optical Control
Authors: Kropp Cosimo , Bruckmann Astrid , Babinger Patrick 
Published: October 2021

AbstractSelective switching of enzymatic activity has been a longstanding goal in synthetic biology. Drastic changes in activity upon mutational manipulation of the oligomerization state of enzymes have frequently been reported in the literature, but scarcely exploited for switching. Using geranylgeranylglyceryl phosphate synthase as a model, we demonstrate that catalytic activity can be efficiently controlled by exogenous modulation of the association state. We introduced a lysine‐to‐cysteine mutation, leading to the breakdown of the active hexamer into dimers with impaired catalytic efficiency. Addition of bromoethylamine chemically rescued the enzyme by restoring hexamerization and activity. As an alternative method, we incorporated the photosensitive unnatural amino acid o‐nitrobenzyl‐O‐tyrosine (ONBY) into the hexamerization interface. This again led to inactive dimers, but the hexameric state and activity could be recovered by UV‐light induced cleavage of ONBY. For both approaches, we obtained switching factors greater than 350‐fold, which compares favorably with previously reported activity changes that were caused by site‐directed mutagenesis.
Cutaneous angiosarcoma presenting as band‐shaped erythematous plaques on the neck
Authors: Matsudate Yoshihiro 
Published: October 2021

AbstractBand‐shaped presentation of cutaneous angiosarcoma has not been reported. Cutaneous angiosarcoma should be included in the differential diagnosis when a persistent erythematous lesion is observed in the head and neck region of an elderly patient without a clear explanation, but skin biopsy is required for an accurate diagnosis.
Controlling the Production of Acid Catalyzed Products of Furfural Hydrogenation by Pd/TiO2
Authors: Tierney George F. , Alijani Shahram , Panchal Monik , Decarolis Donato , de Gutierrez Martha Briceno , Mohammed Khaled M. H. , Callison June , Gibson Emma K. , Thompson Paul B. J. , Collier Paul , Dimitratos Nikolaos , Corbos E. Crina , Pelletier Frederic , Villa Alberto , Wells Peter P. 
Published: October 2021

AbstractWe demonstrate a modified sol‐immobilization procedure using (MeOH)x/(H2O)1‐x solvent mixtures to prepare Pd/TiO2 catalysts that are able to reduce the formation of acid catalyzed products, e. g. ethers, for the hydrogenation of furfural. Transmission electron microscopy found a significant increase in polyvinyl alcohol (PVA) deposition at the metal‐support interface and temperature programmed reduction found a reduced uptake of hydrogen, compared to an established Pd/TiO2 preparation. We propose that the additional PVA hinders hydrogen spillover onto the TiO2 support and limits the formation of Brønsted acid sites, required to produce ethers. Elsewhere, the new preparation route was able to successfully anchor colloidal Pd to the TiO2 surface, without the need for acidification. This work demonstrates the potential for minimizing process steps as well as optimizing catalyst selectivity – both important objectives for sustainable chemistry.
Trace Single‐Atom Iron‐Decorated Nitrogen‐Doped Carbons Enable Highly Efficient Selective Oxidation of Ethyl Benzene
Authors: Wang Shiyi , Qiao Panzhe , Mou Xiaoling , Zhu Hejun , Jiang Zheng , Lin Ronghe , Ding Yunjie 
Published: October 2021

AbstractThe hybridization of abundant transition metals with facile nitrogen‐doped carbons is an effective strategy to fabricate advanced functional materials for targeted applications. Herein, we demonstrate a novel and straightforward synthetic approach of preparing a series of different transition metal‐modified nitrogen‐doped carbons (M/NC, M=Fe, Co, Ni) through the addition of corresponding metal sulfates during the polymerization of aniline, followed by high‐temperature (873–1273 K) pyrolysis treatment. While Fe/NC features predominantly single Fe atoms, nanoparticles of mixed metal oxides and or carbonates are formed on Co/NC and Ni/NC. When employed in the selective oxidation of ethyl benzene by using tert‐butyl hydroperoxide both as the solvent and the oxidant, these materials showed promoted catalytic response with the order of Fe>Co>Ni as compared with the metal‐free analogue. The performance can be further tuned by controlling the pyrolysis temperature, and the best performance can be achieved over Fe/NC‐1273 (0.153 wt.% Fe), affording an unprecedented acetophenone yield of 98 % and excellent cycling performance.
Tunable Linear and Nonlinear Optical Properties from Room Temperature Phosphorescent Cyclic Triimidazole‐Pyrene Bio‐Probe
Authors: Previtali Andrea , He Wei , Forni Alessandra , Malpicci Daniele , Lucenti Elena , Marinotto Daniele , Carlucci Lucia , Mercandelli Pierluigi , Ortenzi Marco Aldo , Terraneo Giancarlo , Botta Chiara , Kwok Ryan Tsz Kin , Lam Jacky Wing Yip , Tang Ben Zhong , Cariati Elena 
Published: October 2021

AbstractOrganic materials with multiple emissions tunable by external stimuli represent a great challenge. TTPyr, crystallizing in different polymorphs, shows a very rich photophyisics comprising excitation‐dependent fluorescence and phosphorescence at ambient conditions, and mechanochromic and thermochromic behavior. Transformation among the different species has been followed by thermal and X‐ray diffraction analyses and the emissive features interpreted through structural results and DFT/TDDFT calculations. Particularly intriguing is the polymorph TTPyr(HT), serendipitously obtained at high temperature but stable also at room temperature, whose non‐centrosymmetric structure guarantees an SHG efficiency 10 times higher than that of standard urea. Its crystal packing, where only the TT units are strongly rigidified by π‐π stacking interactions while the Pyr moieties possess partial conformational freedom, is responsible for the observed dual fluorescence. The potentialities of TTPyr for bioimaging have been successfully established.
Size‐Controlled Synthesis of β(1→4)‐GlcNAc Oligosaccharides Using an Endo‐Glycosynthase
Authors: Rousseau Antoine , Armand Sylvie , Cottaz Sylvain , Fort Sébastien 
Published: October 2021

AbstractChitin and peptidoglycan fragments are well recognized as pathogen associated molecular patterns (PAMPs). Long‐chain oligosaccharides of β(1→4)‐linked N‐acetyl‐D‐glucosamine (GlcNAc) units indeed activate plants and mammals innate immune system. However, the mechanisms underlying PAMPs perception by lysine motif (LysM) domain receptors remain largely unknown because of insufficient availability of high‐affinity molecular probes. Here, we report a two‐enzyme cascade to synthesize long‐chain β(1→4)‐linked GlcNAc oligomers. Expression of the D52S mutant of hen egg‐white lysozyme (HEWL) in Pichia pastoris at 52 mg L−1 provided a new glycosynthase catalyzing efficient polymerization of α‐chitintriosyl fluoride. Selective N‐deacetylation at the non‐reducing unit of the glycosyl fluoride donor by Sinorhizobium meliloti NodB chitin‐N‐deacetylase abolished its ability to be polymerized by the glycosynthase but not to be transferred onto an acceptor. Using NodB and D52S HEWL in a one‐pot cascade reaction allowed the synthesis on a milligram scale of chitin hexa‐, hepta‐ and octasaccharides with yields up to 65 % and a perfect control over their size.
Recovery of Phosphoric Acid from Spent Petrochemical Catalysts
Authors: Greb Valentin G. , Bertau Martin , Düker Axel , Geisbauer Andreas , Fröhlich Peter 
Published: October 2021

AbstractPetrochemical catalysts are widely used in the industry. For the production of cumene, zeolite‐based catalysts containing phosphoric acid are applied. Over the time, coking deactivates the surface, and the catalyst has to be exchanged and disposed of. Different process approaches for recycling the phosphoric acid‐containing catalysts were investigated. Related preliminary investigations have shown that calcination of the used catalyst is necessary prior to reprocessing. By digesting the catalyst with hydrofluoric acid, ∼96 % phosphate was recovered. However, this process is very costly in terms of process technology. More promising is digestion by basic or acidic routes. Several options are possible here, and digestion with H3PO4 proved to be particularly suitable. Here, phosphate yields reached up to 98.8 %, with a positive balance of economic efficiency at the same time. The catalyst can be produced and recycled in the same plant with the same reagents, what constitutes a major breakthrough towards sustainability in industrial catalysis.
Investigation of Basalt Properties as Heterogeneous Catalyst for Fenton Oxidation of Textile Wastewater
Authors: Saleh Mohammed , Yalvac Mutlu , Arslan Hudaverdi , Dizge Nadir 
Published: October 2021

AbstractIn this study, basalt is used as a catalyst for the removal of the dyes malachite green (MG) and crystal violet (CV) from aqueous solution. First, the effect of sintering temperature on Fenton process is optimized using basalt powder. Different analysis techniques such as X‐ray diffraction (XRD), X‐ray fluorescence (XRF), Brunauer‐Emmett‐Teller (BET), and Fourier‐Transform Infrared Spectroscopy (FTIR) are used to characterize basalt powder. It is concluded that Fe2O3 in basalt powder is the main component responsible for the degradation of dyes in the Fenton process. The maximum degradation of the dyes (97.02% for CV and 95.71% for MG) is obtained at 10 mg L−1 dye concentration, solution pH of 6, 1 g L−1 catalyst amount, and 12 mm H2O2 concentration for 2 h. The results are fitted to the second‐order kinetic model. The reusability of the catalyst is explored, and the basalt showed stability in the removal efficiency for repeated five cycles. The degradation of real textile wastewater is also studied. The removal efficiency reached up to 60.33% at optimum conditions of pH 2, basalt amount of 5 g L−1, H2O2 concentration of 400 mm. The results showed that the basalt powder is successfully utilized as a heterogeneous catalyst for textile wastewater treatment.
Consensus Virtual Screening Identified [1,2,4]Triazolo[1,5‐b]isoquinolines As MELK Inhibitor Chemotypes
Authors: Rácz Anita , Palkó Roberta , Csányi Dorottya , Riedl Zsuzsanna , Bajusz Dávid , Keserű György M. 
Published: October 2021

AbstractMaternal Embryonic Leucine‐zipper Kinase (MELK) is a current oncotarget involved in a diverse range of human cancers, with the usage of MELK inhibitors being explored clinically. Here, we aimed to discover new MELK inhibitor chemotypes from our in‐house compound library with a consensus‐based virtual screening workflow, employing three screening concepts. After careful retrospective validation, prospective screening and in vitro enzyme inhibition testing revealed a series of [1,2,4]triazolo[1,5‐b]isoquinolines as a new structural class of MELK inhibitors, with the lead compound of the series exhibiting a sub‐micromolar inhibitory activity. The structure‐activity relationship of the series was explored by testing further analogs based on a structure‐guided selection process. Importantly, the present work marks the first disclosure of the synthesis and bioactivity of this class of compounds.
A Bivalent Supramolecular GCP Ligand Enables Blocking of the Taspase1/Importin α Interaction
Authors: Höing Alexander , Zimmermann Alexander , Moews Lisa , Killa Matthias , Heimann Marius , Hensel Astrid , Voskuhl Jens , Knauer Shirley K. 
Published: October 2021

AbstractTaspase1 is a unique protease not only pivotal for embryonic development but also implicated in leukemia as well as solid tumors. As such, it is a promising target in cancer therapy, although only a limited number of Taspase1 inhibitors lacking general applicability are currently available. Here we present a bivalent guanidiniocarbonyl‐pyrrole (GCP)‐containing supramolecular ligand that is capable of disrupting the essential interaction between Taspase1 and its cognate import receptor Importin α in a concentration‐dependent manner in vitro with an IC50 of 35 μM. Here, size of the bivalent vs the monovalent construct as well as its derivation with an aromatic cbz‐group arose as critical determinants for efficient interference of 2GC. This was also evident when we investigated the effects in different tumor cell lines, resulting in comparable EC50 values (∼40–70 μM). Of note, in higher concentrations, 2GC also interfered with Taspase1’s proteolytic activity. We thus believe to set the stage for a novel class of Taspase1 inhibitors targeting a pivotal protein‐protein interaction prerequisite for its cancer‐associated proteolytic function.