bluuebunny/crossref_metadata_2025_split huggingface dataset:
New furochromone derivatives as promising in‐vitro anti‐proliferative agents toward HepG‐2 and MCF‐7 cell lines with molecular docking studies
Authors: Fawzy Nagwa M. , Ahmed Khadiga M. , Abo‐Salem Heba M. , Aly Magdy S. 
Published: April 2020

AbstractBased on the considerable features of the multicomponent reactions (MCRs) in the field of organic and medicinal chemistry, the present work was designed to synthesize a new series of imidazole, pyridine, and pyrimidine derivatives using MCRs to obtain new anti‐proliferative agent beside exploration of their interaction mechanism by molecular docking technique. MCRs of furochromone carbaldehyde 1, benzoin, and ammonium acetate afforded the corresponding 2,4,5‐trisubstituted imidazole 2. However, MCRs of 1 with benzoin, amine derivatives, and ammonium acetate yielded the corresponding 1,2,4,5‐tetrasubstituted imidazole 3a,b. In addition, pyridine 4a,b‐5a,b and pyrimidine derivatives 6a,d were synthesized via condensation of 1 with different carbonyl compounds and ammonium acetate or benzyl urea, respectively. The in‐vitro anti‐Proliferative activities of the new furochromone derivatives were screened toward MCF‐7 and HepG‐2 cancer cell lines as well as the normal cell line (human normal melanocyte, HFB4) in comparison to the known anticancer drugs: 5‐fluorouracil and doxorubicin using MTT assay. Compounds 5a and 5b revealed effective anti‐proliferative activity against MCF‐7 cell lines with IC
50 18 and 22 μg/mL, respectively, compared to 5‐fluorouracil (IC
50 of 13 μg/mL). However, compounds 6a‐d exhibited potent activity against HepG‐2 cancer cell lines of IC
50 ranging from 18 to 20 μg/mL compared to doxorubicin (IC
50 of 14 μg/mL). Moreover, the binding mode of the most active furochromones 5a,b and 6a‐d inside the active site of the epidermal growth factor receptor (EGFR) kinase enzyme (PDB ID: 5CAV) were studied using molecular docking technique. Compounds 6b,c showed excellent docking results compared to the known EGFR inhibitors (4ZQ).
Therapeutic potentials of NOP and MOP receptor coactivation for the treatment of pain and opioid abuse
Authors: Kiguchi Norikazu , Ding Huiping , Ko Mei‐Chuan 
Published: April 2020

AbstractFollowing the identification of the nociceptin/orphanin FQ (N/OFQ) peptide (NOP) as an endogenous ligand for the NOP receptor, ample evidence has revealed unique functional profiles of the N/OFQ‐NOP receptor system. NOP receptors are expressed in key neural substrates involved in pain and reward modulation. In nonhuman primates (NHPs), NOP receptor activation effectively exerts antinociception and anti‐hypersensitivity at the spinal and supraspinal levels. Moreover, NOP receptor activation inhibits dopaminergic transmission and synergistically enhances mu‐opioid peptide (MOP) receptor‐mediated analgesia. In this article, we have discussed the functional profiles of ligands with dual NOP and MOP receptor agonist activities and highlight their optimal functional efficacy for pain relief and drug abuse treatment. Through coactivation of NOP and MOP receptors, bifunctional NOP/MOP receptor “partial” agonists (e.g., AT‐121, BU08028, and BU10038) reveal a wider therapeutic window with fewer side effects. These newly developed ligands potently induce antinociception without MOP receptor agonist‐associated side effects such as abuse potential, respiratory depression, itching sensation, and physical dependence. In addition, in both rodent and NHP models, bifunctional NOP/MOP receptor agonists can attenuate reward processing and/or the reinforcing effects of opioids and other abused drugs. While a mixed NOP/opioid receptor “full” agonist cebranopadol is undergoing clinical trials, bifunctional NOP/MOP “partial” agonists exhibit promising therapeutic profiles in translational NHP models for the treatment of pain and opioid abuse. This class of drugs demonstrates the therapeutic advantage of NOP and MOP receptor coactivation, indicating a greater potential for future development.
Identification of ENSO signature in the boreal hydrological cycle through canonical correlation with sea surface temperature anomalies
Authors: Zhang Jinwei , Tourian Mohammad J. , Sneeuw Nico 
Published: April 2020

AbstractAn increasing number of studies suggest that climate change causes variation in the terrestrial water cycle. It is known that the precipitation as the source of water storage change on land and ocean is directly influenced by sea surface temperature (SST). At scales larger than, say, 350 km, such water storage variation can be monitored by the satellite gravimetry mission, the Gravity Recovery and Climate Experiment (GRACE). How the water cycle changes inter‐annually in the boreal region and how the hydrological variables such as precipitation, evaporation, run‐off and terrestrial water storage relate to El Nino Southern Oscillation Index (ENSO) are still unanswered questions. We explore the teleconnection patterns of the boreal hydrological cycle and climate change indicated by ENSO over 2003–2014. We use monthly total water storage changes derived from GRACE, precipitation, run‐off and evaporation on a 1° × 1° grid, land surface temperature anomalies on a 0.5° × 0.5° grid and global SST anomalies with 5° resolution. We apply canonical correlation analysis to link all the hydrological variables to ENSO through SST to identify the implicit relationship between the hydrological cycle on land and ENSO. We identify significant correlations larger than 0.6 between Nino 3.4 and each hydrological variable via SST. The associated spatial patterns indicate a clear ENSO signature in boreal catchments, especially Ob and Yenisei. ENSO correlates to abnormal increase of temperature in Ob, Yenisei and Lena. A notable ENSO‐related increase of precipitation is found over Ob and a decrease over Lena and Yenisei. The negative water balance of Lena and Yenisei reveals a teleconnection between boreal water cycle and ENSO. In addition, the ENSO‐associated modes from terrestrial variables are investigated with aid of cross wavelet coherency. The phase shifts obtained by cross correlation analysis and wavelet coherency maps indicate the response of boreal hydrological cycle with a 1–2 month lag to ENSO.
An improved model‐based analogue forecasting for the prediction of the tropical Indo‐Pacific Sea surface temperature in a coupled climate model
Authors: Wang Yanfeng , Zhang Zhihua , Huang Ping 
Published: April 2020

AbstractAnalogue forecasting is a method with a long history in weather and climate prediction. Recently, model‐based analogue forecasting (MAF) was developed and applied in Indo‐Pacific sea surface temperature (SST) with the long‐term (>1,000 years) run of the coupled general circulation model as the prediction library dataset. Here, we use the MAF method for Indo‐Pacific SST prediction with a 1,600‐year uninitialized control run of ICMv2 as the library datasets to select the analogues. In the improved analogue strategy, subsurface thermal conditions are valid predictors besides the surface conditions. The anomaly of SST, subsurface temperature at 5‐ and 105‐m depth as the best‐performing predictors can better simulate the overall thermal conditions of the ocean. In addition, by increasing the length of the model library dataset, the number of selected analogue cases for the ensemble, using root‐mean‐square and pattern correlation combined analogue metric and subtracting the long‐term trend, the improved MAF can produce a skillful SST prediction in the tropical Indian Ocean, southwest and northwest Pacific Ocean across 1‐ to 9‐month lead times. The ACC of the improved MAF prediction in these regions significantly increases by more than 0.18 relatively to the SST‐initialized hindcast of ICMv2 with considerable savings in terms of computational resource.
Preoperative and Postoperative Resting Energy Expenditure of Patients Undergoing Major Abdominal Operations
Authors: Silva Thales Antônio , Maia Fernanda de Carvalho Pazzini , Zocrato Maria Clara Arantes , Mauricio Silvia Fernandes , Correia Maria Isabel Toulson Davisson , Generoso Simone de Vasconcelos 
Published: April 2020

AbstractBackgroundNutrition therapy plays a major role in the perioperative management of surgical patients. Understanding energy metabolism and correctly establishing the adequate energy needs is a crucial step to provide optimal nutrition care. The aim of this study was to assess the resting energy expenditure (REE) after major abdominal procedures and its associated factors.MethodsThis was a prospective observational study conducted at a single center. REEs of patients admitted for gastrointestinal surgical procedures were measured by indirect calorimetry 24 hours prior to the procedure and reassessed at least once within the fifth postoperative day. Substrate oxidation was calculated according to the Frayn equation. Nutrition status was evaluated using subjective global assessment.ResultsThere were no significant changes in the REEs throughout the study period; however, there was a decrease in the respiratory quotient during the postoperative period, as well as a decrease in carbohydrate oxidation and an increase in lipid oxidation. Only 33.3% of the patients presented a postoperative increase in REE > 10%. Those patients presented higher blood‐monocyte levels.ConclusionPostoperative REE is not increased in most of the patients. In patients who had increased REE, associated factors included higher levels of monocytes.
Effect of lipid on surimi gelation properties of the three major Chinese carp
Authors: Lin Wan‐ling , Han Ying‐xue , Liu Fang‐fang , Huang Hui , Li Lai‐hao , Yang Shao‐ling , Yang Xian‐qing , Wu Yan‐yan 
Published: April 2020

AbstractBACKGROUNDGel properties are important in determining the quality of surimi. In addition to myofibrillar proteins, lipids play an important role in the formation of surimi gel. Phospholipids (PL) are amphoteric lipids that cannot be removed through rinsing. Paradoxically, the addition of PL increases or decreases gel strength. This research aimed to investigate the effects of specific lipids on the gelation properties of surimi from three different carp.RESULTSThe hardness, chewiness, and gel strength of bighead carp (Aristichthys nobilis: BC) surimi were higher, and the total lipid content was lower when compared with grass carp (Ctenopharyngodon idellus: GC) and silver carp (Hypophthalmichthys molitrix: SC) surimi. Bighead carp surimi had lower levels of phosphatidylethanolamine (PE), phosphatidylinositols (PI), and phosphatidylcholine (PC), and higher phosphatidylserine (PS) and sphingomyelin (SM) content. The gelation properties of surimi increased with increasing concentrations of SM and PS. Furthermore, increased levels of saturated fatty acids (SFAs) and decreased levels of polyunsaturated fatty acids (PUFAs) increased gelation properties. Finally, higher hydrophobic interactions and more disulfide bonds were shown to increase gel network structure stability, resulting in improving gel strength in BC surimi.CONCLUSIONThe textural characteristics and gel strength of surimi were dependent on the PL content, including total lipid levels and the types of fatty acids. This may account for previous conflicting reports on PL effects on gel strength. This study provides insight into how the texture of surimi can be improved and provides a starting point for further research. © 2020 Society of Chemical Industry
Honey fromTiúbastingless bees (Melipona fasciculata) produced in different ecosystems: physical and sensory studies
Authors: Fernandes Rachel Torquato , Rosa Ivone Garros , Conti‐Silva Ana Carolina 
Published: April 2020

AbstractBACKGROUNDHoney fromTiúbastingless bees (Melipona fasciculata) produced in three different ecosystems in Brazil (Cerrado, Litoral and Baixada), as well as a sample of honey fromApis melliferabees from the Baixada region for comparison, were evaluated regarding viscosity, color, sensory profile and sensory acceptance.RESULTSThe honey fromTiúbawas less viscous, with a darker color and lower purity of the color (chroma) in relation to honey fromApis mellifera. The sensory profile firmly differentiates the honeys. TheApishoney was mainly described as opaque, viscous and adhesive.Tiúbahoney from the Cerrado region stood out as semi‐bright, acid taste, alcoholic, propolis, bitter taste and spicy.Tiúbahoney from the Litoral region was characterized by its yellow color, woody odor and medicine flavor. TheTiúbahoney from the Baixada region was described as gold colored, fluid and citric. TheTiúbahoney from the Cerrado region had similar sensory acceptance to theApishoney, probably because it was specifically characterized through attributes of odor and flavor. On the contrary, theTiúbahoney from the Litoral and from the Baixada regions was less well accepted.CONCLUSIONThe honeys are different regarding their physical and sensory properties, differences that result from the bee species and from the geographical origin of the honey. This study could contribute to the creation of a standard identity and specific quality forMelipona fasciculatahoney, also contributing to its production and commercialization not only in Brazil, but also internationally. © 2020 Society of Chemical Industry
Volatile compounds, physicochemical and sensory characteristics of Colatura di Alici, a traditional Italian fish sauce
Authors: Russo Giovanni L , Langellotti Antonio L , Genovese Alessandro , Martello Anna , Sacchi Raffaele 
Published: April 2020

AbstractBACKGROUNDThe present study reports for the first time the physical, chemical and sensory characterization of a traditional fish sauce from Italy, called ‘Colatura di Alici’, which is considered to be the direct descendant of the ancient roman sauce ‘Garum’.RESULTSAmong the volatile compounds, carboxylic acids, aldehydes, sulphuric compounds and pyrazines were identified. The most abundant compounds identified were 3‐methyl‐butanoic acid, nonanal and 3‐methyl‐butanal. The sample A had the highest amount of volatile fatty acids (>250 μg kg−1) and sample B had the highest concentration of aldehydes (>80 μg kg−1). These volatile compounds arise from the long fermentation activity and oxidation of fatty acids of the fish flesh and are responsible for the strong cheesy and fishy aroma. The protein content ranged from 90 to 130 g kg−1, and the soluble solids ranged from 30 to 38 °Brix, as a result of the high amount of NaCl used during processing. The sensory analysis showed a great intensity for the cheesy, fishy and umami attributes, and a medium intensity for the roasted and meaty attributes.CONCLUSIONFor the first time, the volatile compounds and sensory characteristics of this traditional fish sauce are reported. The samples differ in terms of sensory and aromatic profiles. These differences are probably linked to the poorly standardized methods used in the production process. Overall, the results of the present study could be used by local fish sauce producers to monitor the quality of the product and to improve the production process. © 2020 Society of Chemical Industry
Lipid profile of fish species by liquid chromatography coupled to mass spectrometry and a novel linear retention index database
Authors: Rigano Francesca , Oteri Marianna , Micalizzi Giuseppe , Mangraviti Domenica , Dugo Paola , Mondello Luigi 
Published: April 2020

AbstractIn a previous article, Rigano et al. established a new linear retention index system for the identification of triacylglycerols by liquid chromatography methods only on the basis of the retention behavior and independently from many experimental parameters. In that work, a database of 209 compounds was built, but only 54 of them, typical of vegetable oils, were confirmed by mass spectrometry. The aim of the present research is to extend the applicability of the novel approach to more complex samples, such as fish lipid extracts, and assess the complementarity between mass spectromtery and retention information to achieve univocal identification. With this purpose, a new software was implemented to make the identification process easy and automatic as in gas chromatography‐mass spectrometry where the retention index filter is added in the spectral search to discriminate between compounds with similar mass spectrometry spectra. A total of 69 species were identified and, thanks to their baseline separation obtained by an ultra high performance liquid chromatography method, a semiquantification was also performed. The species under investigation were Dicentrarchus labrax, coming from aquaculture and the wild. Some differences in their native lipid composition were observed, probably related to a different diet. A major number of samples would be necessary to confirm such a preliminary finding.
Inhibition of Cathepsin D (CTSD) enhances radiosensitivity of glioblastoma cells by attenuating autophagy
Authors: Zheng Wang , Chen Qianping , Wang Chen , Yao Dan , Zhu Lin , Pan Yan , Zhang Jianghong , Bai Yang , Shao Chunlin 
Published: April 2020

AbstractPostoperative radiotherapy combined with chemotherapy is a commonly used treatment for glioblastoma (GBM) but radiotherapy often fails to achieve the expected results mainly due to tumor radioresistance. In this study, we established a radioresistant subline from human glioma cell line U251 and found that Cathepsin D (CTSD), a gene closely related to the clinical malignancy and prognosis in glioma, had higher expression level in radioresistant clones than that in parental cells, and knocking down CTSD by small interfering RNA (siRNA) or its inhibitor Pepstatin‐A increased the radiosensitivity. The level of autophagy was enhanced in the radioresistant GBM cells compared with its parent cells, and silencing autophagy by light chain 3 (LC3) siRNA significantly sensitized GBM cells to ionizing radiation (IR). Moreover, the protein expression level of CTSD was positively correlated with the autophagy marker LC3 II/I and negatively correlated with P62 after IR in radioresistant cells. As expected, through the combination of Western blot and immunofluorescence assays, inhibition of CTSD increased the formation of autophagosomes, while decreased the formation of autolysosomes, which indicating an attenuated autophagy level, leading to radiosensitization ultimately. Our results revealed for the first time that CTSD regulated the radiosensitivity of glioblastoma by affecting the fusion of autophagosomes and lysosomes. In significance, CTSD might be a potential molecular biomarker and a new therapeutic target in glioblastoma.
Chimeric thoracodorsal lymph node flap with a perforator‐based fasciocutaneous skin island for treatment of lower extremity lymphedema: A case report
Authors: Gazyakan Emre , Bigdeli Amir Khosrow , Kneser Ulrich , Hirche Christoph 
Published: April 2020

AbstractFree vascularized lymph node transfer (VLNT) is applied more and more in the treatment of lymphedema. A random‐pattern skin island with VLNT is of use but can have its limitations in flap inset. We describe an option for free VLNT in the treatment of lower extremity lymphedema. We present the case of a chimeric thoracodorsal lymph node flap (TAP‐VLNT) with a thoracodorsal artery perforator (TAP) flap (5 × 9 cm) to the lower leg in a 22‐year old female patient with stage 2 lower leg lymphedema caused by severe traumatic skin decollement and postoperative scarring after a car accident. TAP flap enabled tailored and tension‐free wound closure at the recipient site after scar release and lymph node flap inset. The anastomosis was performed to the anterior tibial artery. The postoperative course was uneventful with no complications or secondary donor‐site lymphedema. Follow‐up at 6 months showed reasonable cosmetic and functional outcomes. The circumference reduction rate was up to 11% and the patient reported improved quality of life. The purpose of this report is to describe a case of a more flexible lymph node flap inset and tension‐free wound closure by harvesting a thin thoracodorsal artery perforator (TAP) skin island together with a thoracodorsal VLNT as a chimeric flap (TAP‐VLNT) for treatment of lower extremity lymphedema. Larger series with longer follow‐up data are needed to justify its widespread use and demonstrate long‐term results.
Hypothalamic and brain stem neurochemical profile in anorectic rats after peripheral administration of kisspeptin‐10 using 1H‐nmr spectroscopy in vivo
Authors: Skowron Kamil , Jasiński Krzysztof , Kurnik‐Łucka Magdalena , Stach Paulina , Kalita Katarzyna , Węglarz Władysław P. , Gil Krzysztof 
Published: April 2020

PurposeAlthough anorexia nervosa is classified as a psychiatric disorder associated with socio‐environmental and psychological factors, a deeper insight into the dominant neurobiological basis is needed to develop a more effective approach of treatment. Given the high contribution of genetic predisposition and the underlying pathophysiology of neurohormonal circuits, it seems that pharmacological targeting of these mechanisms may provide us with better therapeutic outcomes.Methods1H‐NMR spectroscopy was used to measure concentrations of the hypothalamus and brain stem metabolites in an activity‐based rodent model (ABA) after subcutaneous administration of kisspeptin‐10. Because anorexia mainly affects young women and often leads to hypogonadotropic‐hypogonadism, we investigated the influence of this neuropeptide, which is involved in reproductive function by regulating the hypothalamic–pituitary‐gonadal axis, on the ABA model development.ResultsKisspeptin reinforced food consumption in an activity‐based rodent model of anorexia changing a pattern of weight loss. 1H‐NMR spectroscopy of the hypothalamus and brain stem of ABA rats revealed a statistically significant change in the concentration of creatine (Cr; decreased, P = 0.030), phosphocreatine (PCr; increased, P = 0.030), γ‐aminobutyric acid (GABA; decreased, P = 0.011), glutathione (GSH; increased, P = 0.011) and inositol (INS; increased, P = 0.047) compared to the control group. Subcutaneous administration of kisspeptin reversed the decrease in GABA (P = 0.018) and Cr (P = 0.030) levels in the hypothalamus as well as restored glutamate (GLU; P = 0.040) level in the brain stem.ConclusionsWe suspect that kisspeptin through modulation of hypothalamic GABAergic signaling increases food intake, and thus positively alters brain metabolism.
Arm‐first star‐polymer synthesis in one‐pot via alkylborane‐initiated RAFT
Authors: Timmins Renee L. , Wilson Olivia R. , Magenau Andrew J. D. 
Published: April 2020

AbstractAn alkylborane initiated reversible addition‐fragmentation chain transfer (AI‐RAFT) process was developed for the synthesis of star‐polymers using a one‐pot approach at room‐temperature in the presence of oxygen. Linear poly(tert‐butyl acrylate) arms were first polymerized using a latent trialkylborane‐amine initiator, which generated trialkylborane, in situ, and subsequently radicals after reaction with oxygen. Polymerizations were optimized to maximize monomer conversion (~70–80%) and minimize arm‐dispersity (~1.10) through the oxygen concentration, initiator concentration, and polymerization time. The oxygen concentration was a critical AI‐RAFT parameter, providing maximum conversion at a ~0.5:1 molar ratio of oxygen‐to‐initiator. After arm‐polymerization, multifunctional acrylates were injected into the reactor to commence crosslinking without intermediate purification. The impact of the crosslinking time and the crosslinker's functionality, concentration, and injection time were investigated to enhance arm incorporation and diminish star‐polymer dispersity, quantified by deconvolution of size‐exclusion chromatography data. Crosslinker concentration had the largest influence on arm conversion with optimal concentrations at a 20‐25‐fold excess to chain transfer agent. Under optimal conditions, arm conversions were maximized to ~75–85% and star‐dispersity minimized to ~1.35–1.50. Herein an initial effort is made toward the synthesis of star‐polymers with well‐defined structures and high‐arm conversions, while also striving for oxygen tolerance, minimal purification, low‐temperatures, and metal‐free conditions.