bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Solvent‐free, Catalyst‐free Formal [3+3] Cycloaddition Dearomatization Strategy: Towards New Fluorophores for Biomolecules Labelling
Authors: Chang Liang , Fischer‐Durand Nathalie , Gontard Geoffrey , Bertrand Benoît , Thorimbert Serge , Dechoux Luc 
Published: March 2021

AbstractA general, sustainable dearomatization reaction for nitrogen‐containing heterocycles was developed. Under solvent free conditions and without catalyst, the biorenewable methyl coumalate (MC) reacted as an efficient C3 partner to convert nine types of basic aromatic rings into their pyrido[1,2‐a] fused derivatives in good to excellent yields. The fluorescence properties of some of the products were harnessed to conjugate fluorescent tags to bovine serum albumin (BSA) and immunoglobulin G.
Synthesis, Crystal Structure, Electronic Structure, and Catalytic Properties of Ni3GaSb
Authors: Roy Nilanjan , Kumari Saroj , Sikdar Ritobroto , Sharma Anjali , Harshit  , Ghanta Sivaprasad , Sharma Sudhanshu , Deshpande Parag A. , Jana Partha P. 
Published: March 2021

AbstractSingle crystalline titled phase is synthesized by conventional high‐temperature solid‐state synthesis. Crystal structure of Ni3GaSb is re‐investigated by single‐crystal X‐ray diffraction and energy dispersive X‐ray analysis. The compound crystallizes in P63/mmc space group, the structure can be described as an intermediate of NiSb and Ni2In structures, similar to Ni3GaAs. Electronic structure of the compound is investigated by first‐principles electronic structure calculations on the ordered model of Ni3GaSb. Stability and bond analysis was done by COHP calculations. Hetero‐atomic Ni−Sb and Ni−Ga interactions play a major role towards to stability of the compound, these interactions are also responsible to modify the electronic structure of the titled compound. It was tested for catalytic activity and selectivity for acetylene hydrogenation reaction. Ni3GaSb was found to be a selective catalyst with 95.53 % C2H2 conversion giving 60 % selectivity towards C2H4 at 550 °C.
IrIII−Pyridoannelated N‐Heterocyclic Carbene Complexes: Potent Theranostic Agents via Mitochondria Targeting
Authors: Bonfiglio Anna , McCartin Conor , Carrillo Ulises , Cebrián Cristina , Gros Philippe C. , Fournel Sylvie , Kichler Antoine , Daniel Chantal , Mauro Matteo 
Published: March 2021

AbstractA novel family of IrIII complexes bearing a pyridoannelated N‐heterocyclic carbene is herein described. The target compounds 1–5 are straightforwardly prepared and fully characterized. Comprehensive investigation of their optical properties reveals a rare case of dual emission ascribed to two excited states localized onto different portions of the molecule, as confirmed by both optical spectroscopy and time‐dependent density functional calculations including spin‐orbit coupling. The cytotoxicity against cancer cell lines is investigated as well. Remarkably, 2–5 show up to 50‐fold higher anticancer activity in vitro compared to oxaliplatin market drug with concentration values required to reduce by 50 % the cell viability (IC50) in the low μM range. Finally, in‐depth biological investigation on the most cytotoxic compound 4 reveals its powerful mitochondrial dysfunctioning activity and efficient reactive oxygen species production, associated with apoptosis as the mechanism of cell death.
Methionine oxidation of proteins analyzed by affinity capillary electrophoresis in presence of silver(I) and gold(III) ions
Authors: Hutanu Andrei , Hauser Peter C. , Moritz Bernd , Kiessig Steffen , Noël Aurélie , Stracke Jan O. , Wild Markus , Schwarz Maria A. 
Published: March 2021

AbstractOxidative damage of biopharmaceuticals during manufacturing and storage is a key concern throughout pharmaceutical development. However, few simple and robust analytical methods are available for the determination of oxidation sites. Here, the potential of affinity capillary electrophoresis (ACE) in the separation of proteins with oxidized methionine (Met) residues is shown. Silver(I) and gold(I) ions have the attribute to selectively form complexes with thioethers over sulfoxides. The addition of these ions to the BGE leads to a selective complexation of Met residues and, thus, to a change of charge allowing separation of species according to the different oxidation states of Met. The mechanisms of these interactions are discussed and binding constants for peptides containing Met with silver(I) are calculated. Additionally, the proposed method can be used as an indicator of oxidative stress in large proteins. The presented technique is easily accessible, economical, and has rapid analysis times, adding new approaches to the analytical toolbox of Met sulfoxide detection.
Online hyphenation of size‐exclusion chromatography and gas‐phase electrophoresis facilitates the characterization of protein aggregates
Authors: Weiss Victor U. , Denderz Natalia , Allmaier Günter , Marchetti‐Deschmann Martina 
Published: March 2021

AbstractGas‐phase electrophoresis yields size distributions of polydisperse, aerosolized analytes based on electrophoretic principles. Nanometer‐sized, surface‐dry, single‐charged particles are separated in a high laminar sheath flow of particle‐free air and an orthogonal tunable electric field. Additionally, nano Electrospray Gas‐Phase Electrophoretic Mobility Molecular Analyzer (nES GEMMA) data are particle‐number based. Therefore, small particles can be detected next to larger ones without a bias, for example, native proteins next to their aggregates. Analyte transition from the liquid to the gas phase is a method inherent prerequisite. In this context, nonvolatile sample buffers influence results. In the worst case, the (bio‐)nanoparticle signal is lost due to an increased baseline and unspecific clustering of nonvolatile components. We present a novel online hyphenation of liquid chromatography and gas‐phase electrophoresis, coupling a size‐exclusion chromatography (SEC) column to an advanced nES GEMMA. Via this novel approach, it is possible to (i) separate analyte multimers already present in liquid phase from aggregates formed during the nES process, (ii) differentiate liquid phase and spray‐induced multimers, and (iii) to remove nonvolatile buffer components online before SEC–nES GEMMA analysis. Due to these findings, SEC–nES GEMMA has the high potential to help to understand aggregation processes in biological buffers adding the benefit of actual size determination for noncovalent assemblies formed in solution. As detection and characterization of protein aggregation in large‐scale pharmaceutical production or sizing of noncovalently bound proteins are findings directly related to technologically and biologically relevant situations, we proposed the presented method to be a valuable addition to LC‐MS approaches.
Biodiesel production from preutilized cooking oil using a renewable heterogeneous eggshell‐coconut pith catalyst: Process optimization and characterization
Authors: Kumar Harendra , Renita A. Annam , Jabasingh S. Anuradha 
Published: March 2021

AbstractThis research article deals with the synthesis of a heterogeneous eggshell‐coconut pith catalyst for the transesterification of preutilized cooking oil into a biodiesel fuel. A wet impregnation technique was adopted to prepare the heterogenous catalyst from calcined eggshells and activated coconut pith, followed by the surface analysis for pores using the scanning electron microscopy. The synthesized catalyst was employed for the transesterification of preutilized or waste cooking oil for its conversion into fatty acid methyl esters. Response surface methodology (RSM) using a four factor, three level, central composite design (CCD) was used to investigate the effect of the process parameters (alcohol:oil ratio [4:1,6:1,8:1], temperature [30°C, 50°C, and 70°C], time [60, 120, and 180 min], and ESCP‐catalyst dosage [1, 5, and 9 wt.%]) on the response variable, biodiesel yield. The biodiesel yield from preutilized cooking oil was found to be 72% at the optimized process conditions (50°C, 8:1 methanol to oil molar ratio, 5 wt.% ESCP‐catalyst, reaction time of 60 min). The GC‐MS analysis of biodiesel produced showed peaks relevant to conventional diesel. The study has resulted in the synthesis of a stable, cost effective, highly active catalyst for the preutilized cooking oil transesterification into biodiesel.
Assessing the effects of forest biomass reductions on forest health and streamflow
Authors: Bart Ryan R. , Ray Ram L. , Conklin Martha H. , Safeeq Mohammad , Saksa Philip C. , Tague Christina L. , Bales Roger C. 
Published: March 2021

AbstractForest biomass reductions in overgrown forests have the potential to provide hydrologic benefits in the form of improved forest health and increased streamflow production in water‐limited systems. Biomass reductions may also alter evaporation. These changes are generated when water that previously would have been transpired or evaporated from the canopy of the removed vegetation is transferred to transpiration of the remaining vegetation, streamflow, and/or non‐canopy evaporation. In this study, we combined a new vegetation‐change water‐balance approach with lumped hydrologic modelling outputs to examine the effects of forest biomass reductions on transpiration of the remaining vegetation and streamflow in California's Sierra Nevada. We found that on average, 102 mm and 263 mm (8.0% and 20.6% of mean annual precipitation [MAP]) of water were made available following 20% and 50% forest biomass‐reduction scenarios, respectively. This water was then partitioned to both streamflow and transpiration of the remaining forest, but to varying degrees depending on post‐biomass‐reduction precipitation levels and forest biomass‐reduction intensity. During dry periods, most of the water (approximately 200 mm [15.7% on MAP] for the 50% biomass‐reduction scenario) was partitioned to transpiration of the remaining trees, while less than 50 mm (3.9% on MAP) was partitioned to streamflow. This increase in transpiration during dry periods would likely help trees maintain forest productivity and resistance to drought. During wet periods, the hydrologic benefits of forest biomass reductions shifted to streamflow (200 mm [15.7% on MAP]) and away from transpiration (less than 150 mm [11.8% on MAP]) as the remaining trees became less water stressed. We also found that streamflow benefits per unit of forest biomass reduction increased with biomass‐reduction intensity, whereas transpiration benefits decreased. By accounting for changes in vegetation, the vegetation‐change water balance developed in this study provided an improved assessment of watershed‐scale forest health benefits associated with forest biomass reductions.
Risks posed by per- and polyfluoroalkyl substances (PFAS) on the African continent, emphasizing aquatic ecosystems
Authors: Groffen Thimo , Nkuba Bossissi , Wepener Victor , Bervoets Lieven 
Published: March 2021

Abstract
Per- and polyfluoroalkyl substances (PFAS) are organic pollutants that may have adverse effects on the ecosystem. Despite the global presence of PFAS, knowledge of PFAS on the African continent is limited because monitoring of PFAS is challenging and often not feasible owing to the lack of analytical capacity and high cost. However, it is necessary to understand the environmental risks posed by these chemicals in developing countries, because increasing urbanization will likely increase PFAS contamination in the environment. Although, as far as is known, PFAS concentrations in the African aquatic environment are generally lower than in more developed countries, exceedances of ecological quality standards (EQS) were reported in a few cases, providing evidence of potential ecological risks to these ecosystems. However, the number of ecosystems at risk will likely increase as urbanization and modernization increase in African countries. Therefore, environmental regulations should be updated and implemented to reduce further contamination of the aquatic environment with these chemicals. In addition, analytical laboratories in Africa should develop their capacity to detect PFAS and related compounds regularly and routinely. Local hot spots need to be identified, the influence of these hot spots on the PFAS burden in the environment should be investigated, and environmental regulations should be implemented for these hot spots to reduce their environmental impact. Therefore, we recommend a more routine monitoring of PFAS, including new PFAS that are currently used as perfluorooctanoic acid (PFOA) and perfluorooctane sulfonate (PFOS) alternatives, which are not regulated and environmentally concerning. Integr Environ Assess Manag 2021;17:726–732. © 2021 SETAC
KEY POINTS
PFAS concentrations in the African aquatic environment are generally low compared to developed countries, but they sometimes do exceed ecological quality standard values, providing evidence for potential ecological risks at these ecosystems. Environmental regulations should be updated and implemented, as the number of ecosystems at risks will likely increase due to increasing urbanization and modernization of African countries, to reduce further contamination of the aquatic environment with PFAS. Analytical laboratories in Africa need to develop their capacity to detect PFAS and related compounds regularly and on a routine basis. Local hotspots need to be identified, the influence of these hotspots on the PFAS burden in the aquatic environment should be investigated, and environmental regulations should be implemented for these hotspots to reduce their environmental impact.
Black phosphorus incorporation modulates nanocomposite hydrogel properties and subsequent MC3T3 cell attachment, proliferation, and differentiation
Authors: Xu Haocheng , Liu Xifeng , George Matthew N. , Miller A. Lee , Park Sungjo , Xu Hao , Terzic Andre , Lu Lichun 
Published: March 2021

AbstractA promising strategy that emerged in tissue engineering is to incorporate two‐dimensional (2D) materials into polymer scaffolds, producing materials with desirable mechanical properties and surface chemistries, which also display broad biocompatibility. Black phosphorus (BP) is a 2D material that has sparked recent scientific interest due to its unique structure and electrochemical characteristics. In this study, BP nanosheets (BPNSs) were incorporated into a cross‐linkable oligo[poly(ethylene glycol) fumarate] (OPF) hydrogel to produce a new nanocomposite for bone regeneration. BPNSs exhibited a controllable degradation rate coupled with the release of phosphate in vitro. MTS assay results together with live/dead images confirmed that the introduction of BPNSs into OPF hydrogels enhanced MC3T3‐E1 cell proliferation. Moreover, the morphology parameters indicated better attachments of cells in the BPNSs containing group. Immunofluorescence images as well as intercellular ALP and OCN activities showed that adding a certain amount of BPNSs to OPF hydrogel could greatly improve differentiation of pre‐osteoblasts on the hydrogel. Additionally, embedding black phosphorous into a neutral polymer network helped to control its cytotoxicity, with optimal cell growth observed at BP concentrations as high as 500 ppm. These results reinforced that the supplementation of OPF with BPNSs can increase the osteogenic capacity of polymer scaffolds for use in bone tissue engineering.
Solid‐state valorization of raw oil palm leaves by novel fungi Trichoderma asperellumUC1 and Rhizopus oryzaeUC2 for sustainable production of cellulase and xylanase
Authors: Ezeilo Uchenna R , Wahab Roswanira A , Huyop Fahrul , David Ebuka E , Tin Lee C 
Published: March 2021

AbstractBACKGROUNDThe growing demand for cellulases and xylanases in lignocellulosic degradation and reutilization has spurred the need for their improved production at reduced cost. Abundantly available oil palm leaves (OPL) promise an alternative and sustainable substrate for producing such enzymes in the degradation and biotransformation of unwanted lignocellulosic biomass. Both enzymes are key players in the transformation of biomass into other value‐added commodities.RESULTSThis study statistically optimized the solid‐state fermentation (SSF) of raw OPL by novel fungal strains Trichoderma asperellum UC1 and Rhizopus oryzae UC2, to produce cellulase and xylanase, where raw OPL was pretreated using ultrasonication before the dual enzyme‐assisted saccharification process. This experiment aimed to identify the best parameters for the highest activity of CMCase (EC 3.2.1.4), FPase (EC 3.2.1.91) and xylanase (EC 3.2.1.8) of T. asperellum UC1 and of β‐glucosidase (EC 3.2.1.21) of R. oryzae UC2 for improved saccharification. Activities of CMCase (126.87 U g−1), FPase (85.53 U g−1) and xylanase (215.42 U g−1) achieved the maximum under optimized SSF conditions (30 °C, 2.0 × 107 spores g−1, 75% moisture content, pH 6). The best β‐glucosidase activity (131.76 U g−1) was obtained at 32 °C, 2.0 × 107 spores g−1, 50% moisture content, pH 12. OPL saccharification yielded 1240 ± 32 mg g−1 total reducing sugar. Individual enzyme cocktails improved juice clarification (84–88%) and dough rising (1.7‐ to 2.0‐fold).CONCLUSIONSThe optimized SSF of raw OPL successfully afforded the production of effective cellulases and xylanases for saccharification‐related reactions. © 2021 Society of Chemical Industry (SCI).
Development of S75:R25 bupivacaine‐loaded lipid nanoparticles functionalized with essential oils for treating melanoma
Authors: Geronimo Gabriela , Rodrigues da Silva Gustavo H , de Moura Ludmilla D , Ribeiro Lígia NM , Guilherme Viviane A , Mendonça Talita C , Castro Simone R , Breitkreitz Márcia C , de Paula Eneida 
Published: March 2021

AbstractBACKGROUNDA new role as an antitumoral agent has been proposed for the local anesthetic bupivacaine (BVC), considering its toxic effects on cancer cells. However, such drug repositioning requires an improvement in drug available concentrations and sustained release profiles to surpass BVC short action and narrow therapeutic window. Nanostructured lipid carriers (NLC) may provide bupivacaine with sustained release, and they can be formulated with essential oils, whose intrinsic therapeutic properties may act synergistically with BVC. This study reports the development of two NLC formulations prepared with lavender or melaleuca oils and enantiomeric excess S(−)75:R(+)25 bupivacaine (BVCS75). The nanoparticles were characterized by dynamic light scattering, nanotracking analysis, transmission electron microscopy, differential scanning calorimetry and X‐ray diffraction, and their stability was followed for 1 year. Encapsulation efficiency and in vitro BVCS75 release profile were also measured. Additionally, the effect on the viability of mice (B16‐F10) and human (SK‐MEL‐25) melanoma cells was determined, as was in vivo anesthesia assessed by the tail flick test in mice.RESULTSThe two formulations optimized by factorial design (NLC‐L‐B and NLC‐M‐B) showed robust physical and chemical properties, 1‐year stability and sustained release in vitro. Cytotoxicity tests revealed a decrease in IC50 values, relative to free BVCS75, of ~80% and 62% (NLC‐L‐B) and 80% and 25% (NLC‐M‐B) in mice and human melanoma cells, respectively. Encapsulation in both formulations doubled the anesthesia time of BVCS75.CONCLUSIONCombining the effects of bupivacaine and NLC excipients, the two optimized NLC formulations containing BVCS75 may be interesting nanosystems for the treatment of melanomas after further in vivo tests. © 2021 Society of Chemical Industry (SCI).
Effect of three post‐harvest methods and roasting degree on sensory profile of Turkish coffee assessed by Turkish and Brazilian panelists
Authors: Elmacı İlkay , Gok Ilkay 
Published: March 2021

AbstractBACKGROUNDThis study was carried out in order to investigate the role of post‐harvest methods and roasting degree on the sensory profile of Turkish coffees and to compare the results between two sensory panels: Turkey and Brazil. Bourbon variety of Arabica coffee beans processed by three different post‐harvest methods (natural, pulped natural and fully washed) and roasted at three different roasting degrees (light, medium and dark).RESULTSGround coffee in powder size was heated with cold water and prepared in a Turkish coffee machine. Twenty assessors – ten Turkish and ten Brazilian – were selected and trained to assess 20 flavor attributes of nine Turkish coffee samples. Sensory evaluation results showed that the effects of roasting method on flavor development were perceived more dominantly than effects of post‐harvest methods. For the first time, this study highlighted the sensory analysis of Turkish coffees assessed by Turkish and Brazilian assessors.CONCLUSIONTurkish coffee flavor profiles were significantly influenced by roasting method and no significant effects of post‐harvest method were observed. Sensorial properties of Turkish coffee were affected by several factors, such as geographical origin and techniques used for preparation of coffee beans, cultural tradition, lifestyle, social behavior and habit. © 2021 Society of Chemical Industry.
Modern multimodality management of patients with caval leiomyosarcoma: New treatment paradigms and potential molecular insights
Authors: Squires Malcolm H. , Politano Stephen , Pollock Raphael E. , Chen James L. , Grignol Valerie 
Published: March 2021

AbstractBackground and ObjectivesCaval leiomyosarcomas (cLMS) are rare soft tissue sarcomas historically associated with high recurrence rates and poor prognosis. While radical resection remains the mainstay of therapy for cLMS, new systemic therapies have presented opportunities for multimodality treatment. We examined the clinical outcomes of patients with cLMS treated with modern, multimodality approaches, and compared their outcomes to those of patients with noncaval retroperitoneal LMS (ncLMS).MethodsA retrospective, single‐institution review identified all patients diagnosed with primary retroperitoneal LMS from 2012 to 2018. Radiographic and pathologic review distinguished patients with cLMS and ncLMS. Standard clinicopathologic variables and response to chemotherapy (when applicable) were analyzed. Primary endpoints were overall (OS) and progression‐free survival (PFS).ResultsEleven patients with cLMS were identified. Median tumor size was 7.5 cm (IQR, 5.0–14.3 cm); all patients had Stage II/III disease. Seven patients received neoadjuvant chemotherapy. Nine cLMS patients underwent R0/R1 resection; two did not complete resection. Six patients received adjuvant systemic therapy. Twenty patients with ncLMS were treated during the same period. No statistical intergroup differences were noted in tumor size, pathologic grade, stage, or resection margin status. Patients with ncLMS were less likely to receive neoadjuvant (10% vs. 64%) and adjuvant chemotherapy (30% vs. 55%). Two‐year OS (81% vs. 78%; p = NS) and PFS (55% vs. 46%; p = NS) were comparable between cLMS and ncLMS patients.ConclusionsMultimodality treatment with systemic therapy and aggressive surgical resection may achieve equivalent survival outcomes for patients with cLMS versus similar ncLMS. We recommend that all patients with cLMS be evaluated for multidisciplinary treatment. Genomic and proteomic expression profiling may identify novel or targetable mutations.