bluuebunny/crossref_metadata_2025_split huggingface dataset:
Andean lupin (Lupinus mutabilis Sweet): Processing effects on chemical composition, heat damage, and in vitro protein digestibility
Authors: Córdova‐Ramos Javier S. , Glorio‐Paulet Patricia , Camarena Felix , Brandolini Andrea , Hidalgo Alyssa 
Published: May 2020

AbstractBackground and objectiveAndean lupin (Lupinus mutabilis Sweet) has health benefits with promising possibilities for food industry. The aim of this research was to determine the effect of processing (water debittering, extrusion, and spray‐drying) on chemical composition, heat damage and in vitro protein digestibility in Andean lupin.FindingsThe processing treatment modified all the parameters while the genotype showed limited effect. The untreated lupins had high protein and lipid content (47.4 and 16.2 g/100 g dry matter). The extruded products showed higher protein content (55.7 g/100 g) and digestibility (68.1%) than the untreated lupins, along with limited heat damage (8.7 mg furosine/100 g protein). Spray‐drying led to the lowest protein content (31.8 g/100 g) and, when maltodextrin was used, the highest heat damage (54.1 ± 20.7 mg furosine/100 g protein; 0.60 mg hydroxymethylfurfural/kg; 0.58 mg glycosylisomaltol/kg), but also to the maximum protein digestibility (72.8%–74.0%).ConclusionsThe chemical composition of Andean lupin was improved by the technological treatments (debittering, extrusion, and spray‐drying) applied. Processing enhanced nutritional value and digestibility, without inducing relevant heat damage.Significance and noveltyExtrusion and spray‐drying improve the in vitro protein digestibility of Andean lupin flour causing limited heat damage.
Tunnel’ radicular cyst and its management with root canal treatment and periapical surgery: A case report
Authors: Nik Abdul Ghani Nik Rozainah , Abdul Hamid Nor Faharina , Karobari Mohmed Isaqali 
Published: May 2020

AbstractAn untreated root canal infection usually stimulates the development of a radicular cyst. Nonsurgical root canal procedures and periapical surgery followed by placement of bone substitute will promote the healing process of the bony defect.
Spontaneous porto‐femoral shunting in long‐standing portal hypertension
Authors: Giuffrè Mauro , Martingano Paola , Crocè Lory Saveria 
Published: May 2020

AbstractSpontaneous portosystemic shunting is a compensation mechanism that is supposed to relieve the portal circulation from high pressures. Here we report an unusual shunt that originates from a patent paraumbilical vein and reaches the femoral vein via the inferior epigastric vein. Despite being merely anecdotal, this finding is fascinating from an anatomical point of view.
Association of olfactory neuropathy spectrum disorder and Wolff‐Parkinson‐White syndrome: A Report of a case
Authors: Gore Mitchell R. 
Published: May 2020

AbstractOlfactory neuropathy spectrum disorder is characterized by hyposmia or anosmia and hypoplastic or absent olfactory bulbs. There may be an association between olfactory neuropathy spectrum disorder and Wolff‐Parkinson‐White syndrome.
Enhancing the Activity of Drugs by Conjugation to Organometallic Fragments
Authors: Chellan Prinessa , Sadler Peter J. 
Published: May 2020

AbstractResistance to chemotherapy is a current clinical problem, especially in the treatment of microbial infections and cancer. One strategy to overcome this is to make new derivatives of existing drugs by conjugation to organometallic fragments, either by an appropriate linker, or by direct coordination of the drug to a metal. We illustrate this with examples of conjugated organometallic metallocene sandwich and half‐sandwich complexes, RuII and OsII arene, and RhIII and IrIII cyclopentadienyl half‐sandwich complexes. Ferrocene conjugates are particularly promising. The ferrocene–chloroquine conjugate ferroquine is in clinical trials for malaria treatment, and a ferrocene‐tamoxifen derivative (a ferrocifen) seems likely to enter anticancer trails soon. Several other examples illustrate that organometallic conjugation can restore the activity of drugs to which resistance has developed.
Highly Efficient Transfer Hydrogenation Catalysis with Tailored Pyridylidene Amide Pincer Ruthenium Complexes
Authors: Melle Philipp , Thiede Jan , Hey Daniela A. , Albrecht Martin 
Published: May 2020

AbstractThe rational optimization of homogeneous catalysts requires ligand platforms that are easily tailored to improve catalytic performance. Here, it is demonstrated that pyridylidene amides (PYAs) provide such a platform to custom‐shape transfer hydrogenation catalysts with exceptional activity. Specifically, a series of meta‐PYA pincer ligands with differently substituted PYA units has been synthezised and coordinated to ruthenium(II) centres to form bench‐stable tris‐acetonitrile complexes [Ru(R‐PYA‐pincer)(MeCN)3](PF6)2 (R=OMe, Me, H, Cl, CF3). Analytic studies including 1H NMR spectroscopy, cyclic voltammetry, and X‐ray crystallography reveal a direct influence of the substituents on the electronic properties of the ruthenium center. The complexes are active in the catalytic transfer hydrogenation of ketones, with activities directly encoded by the PYA substitution pattern. Their perfomance improves further upon exchange of an ancillary MeCN ligand with PPh3. While complexes [Ru(R‐PYA‐pincer)(PPh3)(MeCN)2](PF6)2 were only isolated for R=H, Me, an in situ protocol was developed to generate these complexes in situ for R=OMe, Cl, CF3 by using a 1:2 ratio of the complexes and PPh3. This in situ protocol together with a short catalyst pre‐activation provided highly active catalytic systems. The most active pre‐catalyst featured the methoxy‐substituted PYA ligand and reached turnover frenquencies of 210 000 h−1 under an exceptionally low catalyst loading of 25 ppm for the benchmark substrate benzophenone, representing one of the most active transfer hydrogenation systems known to date.
Palladium‐Catalyzed Annulation of Acyl Fluorides with Norbornene via Decarbonylation and CO Reinsertion
Authors: Sakurai Yuka , Ogiwara Yohei , Sakai Norio 
Published: May 2020

AbstractA palladium‐catalyzed annulation of acyl fluorides with norbornene is described. This study reports the first example of an annulation of acyl fluorides in the presence of a transition‐metal catalyst. Polycyclic ketones are obtained from the cleavage of the C−F and C−H bonds of the acyl fluoride and the rearrangement of the carbonyl moiety by decarbonylation and CO reinsertion.
Tracking the Light‐Induced Excited‐State Dynamics and Structural Configurations of an Extraordinarily Long‐Lived Metastable State at Room Temperature
Authors: Iglesias Sirma , Gamonal Arturo , Abudulimu Abasi , Picón Antonio , Carrasco Esther , Écija David , Liu Cunming , Luer Larry , Zhang Xiaoyi , Costa José Sánchez , Moonshiram Dooshaye 
Published: May 2020

AbstractTime‐resolved X‐ray (Tr‐XAS) and optical transient absorption (OTA) spectroscopy on the pico‐microsecond timescale coupled with density functional theory calculations are applied to study the light‐induced spin crossover processes of a Fe‐based macrocyclic complex in solution. Tr‐XAS analysis after light illumination shows the formation of a seven‐coordinated high‐spin quintet metastable state, which relaxes to a six‐coordinated high‐spin configuration before decaying to the ground state. Kinetic analysis of the macrocyclic complex reveals an unprecedented long‐lived decay lifetime of approximately 42.6 μs. Comparative studies with a non‐macrocyclic counterpart illustrate a significantly shortened approximately 568‐fold decay lifetime of about 75 ns, and highlight the importance of the ligand arrangement in stabilizing the reactivity of the excited state. Lastly, OTA analysis shows the seven‐coordinated high‐spin state to be formed within approximately 6.2 ps. These findings provide a complete understanding of the spin crossover reaction and relaxation pathways of the macrocyclic complex, and reveal the importance of a flexible coordination environment for their rational design.
DNA‐Targeted NO Release Photoregulated by Green Light
Authors: Parisi Cristina , Fraix Aurore , Guglielmo Stefano , Spyrakis Francesca , Rolando Barbara , Lazzarato Loretta , Fruttero Roberta , Gasco Alberto , Sortino Salvatore 
Published: May 2020

AbstractA novel molecular hybrid has been designed and synthesized in which acridine orange (AO) is covalently linked to an N‐nitrosoaniline derivative through an alkyl spacer. Photoexcitation of the AO antenna with the highly biocompatible green light results in intense fluorescence emission and triggers NO detachment from the N‐nitroso appendage via an intramolecular electron transfer. The presence of the AO moiety encourages the binding with DNA through both external and partially intercalative fashions, depending on the DNA:molecular hybrid molar ratio. Importantly, this dual‐mode binding interaction with the biopolymer does not preclude the NO photoreleasing performances of the molecular hybrid, permitting NO to be photogenerated nearby DNA with an efficiency similar to that of the free molecule. These properties make the presented compound an intriguing candidate for fundamental and potential applicative research studies where NO delivery in the DNA proximity precisely regulated by harmless green light is required.
The Significance of Metal Coordination in Imidazole‐Functionalized Metal–Organic Frameworks for Carbon Dioxide Utilization
Authors: Webb William R. , Potter Matthew E. , Stewart Daniel J. , Elliott Stuart J. , Sazio Pier J. A. , Zhang Zhongxing , Luo He‐Kuan , Teng Jinghua , Zhang Liling , Ivaldi Chiara , Miletto Ivana , Gianotti Enrica , Raja Robert 
Published: May 2020

AbstractThe grafting of imidazole species onto coordinatively unsaturated sites within metal–organic framework MIL‐101(Cr) enables enhanced CO2 capture in close proximity to catalytic sites. The subsequent combination of CO2 and epoxide binding sites, as shown through theoretical findings, significantly improves the rate of cyclic carbonate formation, producing a highly active CO2 utilization catalyst. An array of spectroscopic investigations, in combination with theoretical calculations reveal the nature of the active sites and associated catalytic mechanism which validates the careful design of the hybrid MIL‐101(Cr).
Atomically Precise Alloy Nanoclusters
Authors: Kawawaki Tokuhisa , Imai Yukari , Suzuki Daiki , Kato Shun , Kobayashi Ibuki , Suzuki Taiyo , Kaneko Ryo , Hossain Sakiat , Negishi Yuichi 
Published: May 2020

AbstractMetal nanoclusters (NCs) have a particle size of about one nanometer, which makes them the smallest unit that can give a function to a substance. In addition, metal NCs possess physical and chemical properties that are different from those of the corresponding bulk metals. Metal NCs with such characteristics are expected to be important for use in nanotechnology. Research on the precise synthesis of metal NCs and elucidation of their physical/chemical properties and functions is being actively conducted. When metal NCs are alloyed, it is possible to obtain further various electronic and geometrical structures and functions. Thus, research on alloy NCs has become a hot topic in the study of metal NCs and the number of publications on alloy NCs has increased explosively in recent years. Such publications have provided much insight into the effects of alloying on the electronic structure and function of metal NCs. However, the rapid increase in knowledge has made it difficult for researchers (especially those new to the field) to grasp all of it. Therefore, in this review, we summarize the reported chemical composition, geometrical structure, electronic structure, and physical and chemical properties of Aun−xMx(SR)m, Agn−xMx(SR)m, Aun−xMx(PR3)l(SR)m, and Agn−xMx(PR3)l(SR)m (Au=gold, Ag=silver, M=heteroatom, PR3=phosphine, and SR=thiolate) NCs. This review is expected to help researchers understand the characteristics of alloy NCs and lead to clear design guidelines to develop new alloy NCs with intended functions.
Straightforward and Controlled Synthesis of Porphyrin–Phthalocyanine–Porphyrin Heteroleptic Triple‐Decker Assemblies
Authors: González‐Lucas Daniel , Soobrattee Shazia C. , Hughes David L. , Tizzard Graham J. , Coles Simon J. , Cammidge Andrew N. 
Published: May 2020

AbstractA versatile and straightforward protocol is disclosed for controlled synthesis of complex lanthanide‐bridged heteroleptic porphyrin–phthalocyanine triple‐decker assemblies. Two porphyrins, linked by a flexible spacer chain of intermediate length, sequentially capture lanthanide ions and a phthalocyanine to efficiently form the triple‐decker complex. The bridge directs assembly, but also controls the mobility of the central macrocycle and further imparts a fully eclipsed arrangement of all three rings.
Nectin‐2α is localized at cholinergic neuron dendrites and regulates synapse formation in the medial habenula
Authors: Shiotani Hajime , Miyata Muneaki , Kameyama Takeshi , Mandai Kenji , Yamasaki Miwako , Watanabe Masahiko , Mizutani Kiyohito , Takai Yoshimi 
Published: May 2020

AbstractThe medial habenula (MHb) receives afferents from the triangular septum and the medial septal complex, projects efferents to the interpeduncular nucleus (IPN) in the midbrain to regulate dopamine and serotonin levels, and is implicated in stress, depression, memory, and nicotine withdrawal syndrome. We previously showed that the cell adhesion molecule nectin‐2α is localized at the boundary between adjacent somata of clustered cholinergic neurons and regulates the voltage‐gated A‐type K+ channel Kv4.2 localization at membrane specializations in the MHb. This adhesion apparatus, named nectin‐2α spots, is not associated with the nectin‐binding protein afadin or any classic cadherins and their binding proteins p120‐catenin and β‐catenin. We showed here that nectin‐2α was additionally localized at cholinergic neuron dendrites in synaptic regions of the MHb. The genetic ablation of nectin‐2 reduced the number of synapses in the MHb without affecting their morphology. Nectin‐2α was associated with afadin, cadherin‐8, p120‐catenin, β‐catenin, and αN‐catenin, forming puncta adherentia junctions (PAJs). Nectin‐2α was observed in the IPN, but not in the triangular septum or the medial septal complex. The genetic ablation of nectin‐2 did not affect synapse formation in the IPN. These results indicate that nectin‐2α forms two types of adhesion apparatus in the MHb, namely nectin‐2α spots at neighboring somata and PAJs at neighboring dendrites, and that dendritic PAJs regulate synapse formation in the MHb.
Molecular Dynamics Simulation of Small Molecules Interacting with Biological Membranes
Authors: Martinotti Carlo , Ruiz‐Perez Lanie , Deplazes Evelyne , Mancera Ricardo L. 
Published: May 2020

AbstractCell membranes protect and compartmentalise cells and their organelles. The semi‐permeable nature of these membranes controls the exchange of solutes across their structure. Characterising the interaction of small molecules with biological membranes is critical to understanding of physiological processes, drug action and permeation, and many biotechnological applications. This review provides an overview of how molecular simulations are used to study the interaction of small molecules with biological membranes, with a particular focus on the interactions of water, organic compounds, drugs and short peptides with models of plasma cell membrane and stratum corneum lipid bilayers. This review will not delve on other types of membranes which might have different composition and arrangement, such as thylakoid or mitochondrial membranes. The application of unbiased molecular dynamics simulations and enhanced sampling methods such as umbrella sampling, metadynamics and replica exchange are described using key examples. This review demonstrates how state‐of‐the‐art molecular simulations have been used successfully to describe the mechanism of binding and permeation of small molecules with biological membranes, as well as associated changes to the structure and dynamics of these membranes. The review concludes with an outlook on future directions in this field.
Discrimination of legal and illegal Cannabis spp. according to European legislation using near infrared spectroscopy and chemometrics
Authors: Duchateau Céline , Kauffmann Jean‐Michel , Canfyn Michaël , Stévigny Caroline , De Braekeleer Kris , Deconinck Eric 
Published: May 2020

AbstractAerial parts containing cannabidiol can be purchased in a legal way but cannabis used as recreational drug is illegal in most European countries. Δ9‐tetrahydrocannabinol is one of the main cannabinoids responsible for the psychotropic effect. European Union countries and Switzerland authorize a concentration of THC of 0.2 % and 1.0 % w/w, respectively, for smoking products and industrial hemp. Public health inspectors and law enforcement officers need to check the legality of samples. Therefore there is a need for innovative approaches, allowing quality control of these products in an easy way and preferably on site. In many countries, cultivation of industrial hemp is permitted if the THC content does not exceed 0.2 % w/w. A portable equipment could be a useful measuring tool for farmers to check for the THC content at regular time. In this work, 189 samples were analysed with a benchtop and a handheld NIR device in order to create two classification methods according to European and Swiss laws. All samples were also analysed by GC‐FID to determine their THC concentration. Supervised analysis was applied in order to establish the best model. For the first classification, the accuracy was 91% for the test set with the benchtop data and 93 % for the test set with the handheld data. For the second classification, the accuracies were respectively 91 % and 95 %. The obtained models, hyphenating spectroscopic techniques and chemometrics, enable to discriminate legal and illegal cannabis samples according to European and Swiss laws.
Suitable habitat of wild Asian elephant in Western Terai of Nepal
Authors: Sharma Purushottam , Panthi Saroj , Yadav Subodh Kumar , Bhatta Manoj , Karki Ajay , Duncan Tom , Poudel Megharaj , Acharya Krishna Prasad 
Published: May 2020

AbstractBackgroundThere is currently very little available research on the habitat suitability, the influence of infrastructure on distribution, and the extent and connectivity of habitat available to the wild Asian elephant (Elephas maximus). Information related to the habitat is crucial for conservation of this species.MethodsIn this study, we identified suitable habitat for wild Asian elephants in the Western Terai region of Nepal using Maximum Entropy (MaxEnt) software.ResultsOf 9,207 km2, we identified 3194.82 km2 as suitable habitat for wild Asian elephants in the study area. Approximately 40% of identified habitat occurs in existing protected areas. Most of these habitat patches are smaller than previous estimations of the species home range, and this may reduce the probability of the species continued survival in the study area. Proximity to roads was identified as the most important factor defining habitat suitability, with elephants preferring habitats far from roads.ConclusionsWe conclude that further habitat fragmentation in the study area can be reduced by avoiding the construction of new roads and connectivity between areas of existing suitable habitat can be increased through the identification and management of wildlife corridors between habitat patches.
Comparison of spleen transcriptomes of two wild rodent species reveals differences in the immune response against Borrelia afzelii
Authors: Zhong Xiuqin , Lundberg Max , Råberg Lars 
Published: May 2020

AbstractDifferent host species often differ considerably in susceptibility to a given pathogen, but the causes of such differences are rarely known. The natural hosts of the tick‐transmitted bacterium Borrelia afzelii, which is one of causative agents of Lyme borreliosis in humans, include a variety of small mammals like voles and mice. Previous studies have shown that B. afzelii‐infected bank voles (Myodes glareolus) have about ten times higher bacterial load than infected yellow‐necked mice (Apodemus flavicollis), indicating that these two species differ in resistance. In this study, we compared the immune response to B. afzelii infection in these host species by using RNA sequencing to quantify gene expression in spleen. Gene set enrichment analysis (GSEA) showed that several immune pathways were down‐regulated in infected animals in both bank voles and yellow‐necked mice. Moreover, IFNα response was up‐regulated in B. afzelii‐infected yellow‐necked mice, while IL6 signaling and the complement pathway were down‐regulated in infected bank voles; differences in regulation of these three pathways between bank voles and yellow‐necked mice could thus contribute to the difference in resistance to B. afzelii between the species. This study provides knowledge of gene expression induced by a zoonotic pathogen in its natural host, and possible species‐specific regulation of immune responses associated with resistance.
Long‐lived marine species may be resilient to environmental variability through a temporal portfolio effect
Authors: Maselko Jacek , Andrews Kimberly R. , Hohenlohe Paul A. 
Published: May 2020

AbstractMaintenance of genetic variation may provide resilience of populations to natural environmental variability. We used Pacific ocean perch (POP; Sebastes alutus) to test for the maintenance of adaptive variation across overlapping generations. POP are a long‐lived species characterized by widespread larval dispersal in their first year and a longevity of over 100 years. In order to understand how early marine dispersal affects POP survival and population structure, we used restriction site‐associated DNA sequencing (RADseq) to obtain 11,146 single‐nucleotide polymorphisms (SNPs) from 401 young‐of‐the‐year (YOY) POP collected during surveys conducted in 2014 (19 stations) and 2015 (4 stations) in the eastern Gulf of Alaska. Population clustering analysis showed that the POP samples represented four distinct ancestral populations mixed throughout the sampling area. Based on prior work on larval dispersal of POP, these larvae are most likely from distinct parturition locations that are mixing during their pelagic dispersal life stage. Latent factor mixed models revealed that POP larvae face significant selection during their first year at sea, which is specific to the year of their birth. Thus each adult cohort's genetic composition is heavily influenced by the environmental conditions experienced during their first year at sea. Long‐lived species relying on broadcast spawning strategies may therefore be uniquely resilient to environmental variability by maintaining a portfolio of cohort‐specific adaptive genotypes, and age truncation due to overfishing of older cohorts may have detrimental effect on the population viability.