bluuebunny/crossref_metadata_2025 huggingface dataset:
Variation of Chemical Composition in Flowers and Leaves Essential Oils Among Natural Population of Tunisian Glebionis coronaria (L.) Tzvelev (Asteraceae)
Authors: Haouas Dalila , Cioni Pier Luigi , Flamini Guido , Ben Halima‐Kamel Monia , Ben Hamouda Mohamed Habib
Published: July 2016

The aim of this study was to assess the percentage and constituents variations in flowers and leaves essential oil of three Glebionis coronaria (L.) Tzvelev population, growing wildly in three different ecotypes (Utique, M'saken, and Sahara Lektar) in Tunisia. The chemical compositions of these essential oils were analyzed by the GC and GC/MS systems. Qualitative and quantitative differences were recorded between essential oils extracted from plants collected from the three geographical provinces and between organs of the same plant (leaves and flowers). In fact, 161 components representing 87.2 – 96.5% of the whole oils were identified. Myrcene (3.2 – 35.7%), (Z)‐β‐ocimene (0.6 – 23.0%), camphor (0.6 – 17.2%), cis‐chrysanthenol (0 – 6.9%), cis‐chrysanthenyl acetate (1.1 – 17.9%), isobornyl acetate (1.6 – 3.5%), (E)‐β‐farnesene (0 – 6.0%), germacrene D (0 – 8.7%), and (E,E)‐α‐farnesene (0.7 – 12.4%) were the predominant components in the oils. These major constituents occur in different amounts depending on the organs (leaves or flowers) and the geographical origin of the plant. The chemotaxonomic usefulness of these data was discussed according to results of principal component analysis (PCA). The scores, together with the loadings, revealed a different chemical pattern for each population.
Diarylureas and Diarylamides with Oxazolo[5,4‐d]pyrimidine Scaffold as Angiogenesis Inhibitors
Authors: Deng Ya‐Hui , Liu Ji‐Ping , Cheng Yi‐Juan , Liu Yu , Sun Li‐Ping
Published: July 2016

A series of oxazolopyrimidine‐based ureas and amides were designed, synthesized, and biologically evaluated for their antiproliferative and antiangiogenic activities. These compounds were identified to exhibit inhibitory activities against human umbilical vein endothelial cells (HUVEC) in vitro. Among these compounds, compound 22 effectively inhibited the migration and capillary‐like tube formation of human umbilical vein endothelial cells. It also exhibited a concentration‐dependent inhibition on capillary sprouting from the rat aorta rings. Preliminary mechanistic studies revealed that compound 22 suppressed protein kinases activation, by decreasing PI3K and ERK 1/2 phosphorylation. These results support the further investigation of this class of compounds as potential anticancer agents.
Chemical Composition and in vitro Biological Activities of Essential Oils from Conchocarpus fontanesianus (A. St.‐Hil.) Kallunki & Pirani (Rutaceae)
Authors: Cabral Rodrigo S. , Suffredini Ivana B. , Young Maria C. M.
Published: July 2016

This study aimed at assessing the chemical composition of the essential oils from leaves and fruits of Conchocarpus fontanesianus, an endemic Brazilian species of Rutaceae. The plant material was harvested from two regions of the Atlantic rainforest in the State of São Paulo. The volatile compounds in the essential oils were extracted by hydrodistillation (HD), and analyzed by GC/FID and GC/MS, allowing the quantification and identification of 54 components in total, which comprise about 97% of the total oil composition. From the leaves collected in Caraguatatuba and Juréia‐Itatins, the major volatile compounds identified were as follows: spathulenol (22.32% and 16.67%) and α‐cadinol (9.7% and 14.76%). However, β‐myrcene (34.56%), (+)‐epi‐bicyclosesquiphellandrene (8.71%), and bicyclogermacrene (5.80%) were dominant in the fruits collected only in Juréia‐Itatins. The in vitro biological activities were tested to evaluate the cytotoxic, antifungal, and antioxidant potential of essential oils from leaves and fruits.
Phytochemical Compounds from the Crop Byproducts of Tunisian Globe Artichoke Cultivars
Authors: Dabbou Sihem , Dabbou Samia , Flamini Guido , Pandino Gaetano , Gasco Laura , Helal Ahmed Noureddine
Published: July 2016

The phytochemical composition in two Tunisian globe artichoke cultivars (bracts, leaves, and floral stems) was evaluated in the plant byproducts. The results indicated that the bracts contain the highest levels of total phenols, o‐diphenols, and flavonoids, whereas tannins seem to be more abundant in the leaves. Bracts from the ‘Violet d'Hyères’ cultivar possessed more total phenols (160.8 mg/g DW), flavonoids (64.9 mg/g DW), and anthocyanins (15.3 μg/g DW) than the ‘Blanc d'Oran’ bracts (134.5 mg/g DW, 51.2 mg/g DW, and 8.3 μg/g DW, resp.). Sixty‐four volatile compounds were identified in the headspace of globe artichoke material, particularly in the bracts. The volatile profile showed that sesquiterpene hydrocarbons and non‐terpene derivatives were the main volatiles emitted by the bracts in both cultivars. These results suggest that globe artichoke byproducts might represent a potential source of natural compounds, which could be used as nutraceuticals or as ingredients in the design of functional foods.
The Loss of a Sugar Chain at C(3) Position Enhances Stemucronatoside K‐Induced Apoptosis, Cell Cycle Arrest, and Hedgehog Pathway Inhibition in HT‐29 Cells
Authors: Zhou Xia , Zhou Li‐Fei , Yang Bo , Zhao Hua‐Jun , Wang Yi‐Qi , Li Xiao‐Yu , Ye Yi‐Ping , Chen Feng‐Yang
Published: July 2016

Stemucronatoside K (SMK) and its aglycone stephanthraniline A (STA) are the most representative of a series of novel C21 steriodal compounds that we have previously isolated from Asclepiadaceae plants. The objectives of this study were to investigate the antitumor activity of SMK and STA, and clarify the effect of the sugar chain at the C(3) position. Our results showed that both SMK and STA decreased the growth of HT‐29 cells in a dose‐ and time‐dependent manner. Meanwhile, STA showed much stronger inhibitory effect than SMK. Treatment of HT‐29 cells with STA increased the apoptotic cell numbers and the protein expression of cleaved caspase 3 and cleaved‐PARP. G1 phase cell cycle arrest and decreased expression of cyclin D1 and cyclin‐dependent kinases 4 were also observed after STA treatment. Furthermore, STA reduced the mRNA levels of four Hedgehog pathway components (GLI1, GLI2, GLI3, and PTCH1) and suppressed Shh‐induced Hedgehog pathway activation in a concentration‐dependent manner. These results indicated that SMK and STA could inhibit the growth of HT‐29 cells by inducing apoptosis, cell cycle arrest, and hedgehog pathway inhibition. The loss of sugar chain at C(3) position could enhance SMK's activity. This study is beneficial to understand the use of natural C21 steroids as antitumor lead compounds.
Natural Flavonoids as Promising Analgesic Candidates: A Systematic Review
Authors: Xiao Xiao , Wang Xiaoyu , Gui Xuan , Chen Lu , Huang Baokang
Published: July 2016

Due to the chemical structural diversity and various analgesic mechanisms, an increasing number of studies indicated that some flavonoids from medicinal plants could be promising candidates for new natural analgesic drugs, which attract high interests of advanced users and academic researchers. The aim of this systematic review is to report flavonoids and its derivatives as new analgesic candidates based on the pharmacological evidences. Sixty‐four papers were found concerning the potential analgesic activity of 46 flavonoids. In this case, the evidence for analgesic activity of flavonoids and total flavonoids was investigated. Meanwhile, the corresponding analgesic mechanism of flavonoids was discussed by generalizing and analyzing the current publications. Based on this review, the conclusion can be drawn that some flavonoids are promising candidates for painful conditions and deserve particular attention in further research and development.
Anti‐barnacle Activity of Isocyanides Derived from Amino Acids
Authors: Fukuda Takuya , Wagatsuma Hideki , Kominami Yoshifumi , Nogata Yasuyuki , Yoshimura Erina , Chiba Kazuhiro , Kitano Yoshikazu
Published: July 2016

Creation of new potent antifouling active compounds is important for the development of environmentally friendly antifouling agents. Fifteen isocyanide congeners derived from proteinogenic amino acids were synthesized, and the antifouling activity and toxicity of these compounds against cypris larvae of the barnacle Balanus amphitrite were investigated. All synthesized amino acid‐isocyanides exhibited potent anti‐barnacle activity with EC50 values of 0.07 – 10.34 μg/ml after 120 h exposure without significant toxicity. In addition, seven compounds showed more than 95% settlement inhibition of the cypris larvae at 10 μg/ml after 120 h exposure without any mortality observed. Considering their structure, these amino acid‐isocyanides would eventually be biodegraded to their original nontoxic amino acids. These should be useful for further research focused on the development of environmentally friendly antifoulants.
Copaifera duckei Oleoresin and Its Main Nonvolatile Terpenes: In Vitro Schistosomicidal Properties
Authors: Borges Carly H. G. , Cruz Michele G. , Carneiro Luiza J. , da Silva Jonas J. M. , Bastos Jairo K. , Tavares Denise C. , de Oliveira Pollyanna F. , Rodrigues Vanderlei , Veneziani Rodrigo C. S. , Parreira Renato L. T. , Caramori Giovanni F. , Nagurniak Gláucio R. , Magalhães Lizandra G. , Ambrósio Sérgio R.
Published: July 2016

In this article, the in vitro schistosomicidal effects of three Brazilian Copaifera oleoresins (C. duckei, C. langsdorffii, and C. reticulata) are reported. From these botanical sources, the oleoresin of C. duckei (OCd) demonstrated to be the most promising, displaying LC50 values of 75.8, 50.6, and 47.2 μg/ml at 24, 48, and 72 h of incubation, respectively, against adult worms of Schistosoma mansoni, with a selectivity index of 10.26. Therefore, the major compounds from OCd were isolated, and the diterpene, (−)‐polyalthic acid (PA), showed to be active (LC50 values of 41.7, 36.2, and 33.4 μg/ml, respectively, at 24, 48, and 72 h of incubation). Moreover, OCd and PA affected the production and development of eggs, and OCd modified the functionality of the tegument of S. mansoni. Possible synergistic and/or additive effects of this balsam were also verified when a mixture of the two of its main compounds (PA and ent‐labd‐8(17)‐en‐15,18‐dioic acid) in the specific proportion of 3:1 (w/w) was tested. The obtained results indicate that PA should be considered for further investigations against S. mansoni, such as, synergistic (combination with praziquantel (PZQ)) and in vivo studies. It also shows that diterpenes are an important class of natural compounds for the investigation of agents capable of fighting the parasite responsible for human schistosomiasis.
Melanogenesis‐Inhibitory Activities of Isomeric C‐seco Limonoids and Deesterified Limonoids
Authors: Akihisa Toshihiro , Horiuchi Maiko , Matsumoto Masahiro , Ogihara Eri , Ishii Kenta , Zhang Jie
Published: July 2016

Treatment of eight C‐seco limonoids including six of salannin‐type, 1 – 6, and two of nimbin‐type, 7 and 8, with a combination of BF3 · Et2O and iodide ion yielded the isomeric C‐seco derivatives, i.e., six isosalannins, 1a – 6a, and two isonimbins, 7a and 8a, respectively. Ohchinin (1) was further subjected to LiAlH4 reduction which yielded a deesterified trihydroxy limonoid, nimbidinol (9). In addition, ten limonoids including seven of azadirone‐type, 10 – 16, and three of gedunin‐type, 17 – 19, all of which possess no ester functionality in the molecule, were obtained from the neutral fraction of Azadirachta indica seed extract after alkaline hydrolysis. Among the above, twelve compounds, i.e., 1a – 4a, 6a, 9, 13 – 16, 18, and 19, were new compounds, and their structures were elucidated on the basis of extensive spectroscopic analysis and comparison with literature data. Upon evaluation of all these limonoids for their inhibitory activities against melanogenesis in B16 melanoma cells induced with α‐melanocyte‐stimulating hormone (α‐MSH), five structurally modified limonoids, 3‐deacetyl‐28‐oxosalannin (6a), 9, 17‐epi‐17‐hydroxynimbocinol (14), 17‐epi‐17‐hydroxy‐15‐methoxynimbocinol (15), and 7‐deacetyl‐17‐epinimolicinol (18), in addition to a natural limonoid, 1, exhibited potent inhibitory activities with 26 – 66% reduction of melanin content at 100 μm concentration with almost no or low toxicity to the B16 melanoma cells (70 – 99% cell viability at 100 μm).
Chemometric Classification of Different Tree Peony Species Native to China Based on the Assessment of Major Fatty Acids of Seed Oil and Phenotypic Characteristics of the Seeds
Authors: Zhang Xiao‐Xiao , Zhang Yan‐Long , Niu Li‐Xin , Sun Jia‐Yi , Li Lin‐Hao , Zhang Jing , Li Jian
Published: July 2016

In the present study, we quantitatively measured five major fatty acids (FA) in seed oil using gas chromatography/mass spectrometry (GC/MS) and examined four phenotypic characteristics of the seeds from 19 populations from nine wild tree peony species native to China. The results showed that the unsaturated FAs contents were dominant, of which α‐linolenic acid (ALA), linoleic acid, and oleic acid (OA) contents ranged from 14.84 to 42.54 g/100 g, 7.33 to 19.66 g/100 g, and 15.07 – 35.31 g/100 g crude oil, respectively. The phenotypic seed characteristics, such as thousand seed weight (244.01 – 1772.91 g), seed volume (91.31 – 1000.79 mm3), weight rate of kernel and coat (1.29 – 3.62) and oil extraction ratio (20.32 – 34.69%), dramatically varied. Based on the contents of the five FAs, the nine species were classified into two groups. The species belonging to subsection Vaginatae were arranged in cluster I and were characterized by high ALA content. Cluster II, consistent with subsection Delavayanae, had a high OA content. From horizontal and vertical perspectives, the natural distribution areas of these two groups were different, reflecting differences in the FA contents and phenotypic seed characteristics. In conclusion, the FAs composition could be used as a chemotaxonomic marker for tree peony species.
Synthesis and Biological Evaluation of Matijin‐Su Derivatives as Potential Antihepatitis B Virus and Anticancer Agents
Authors: Qiu Jingying , Xu Bixue , Gong Qineng , Pan Weidong , Liu Changxiao , Huang Zhengming , Gu Xiaoke , Liang Guangyi
Published: July 2016

A series of Matijin‐Su (MTS, (2S)‐2‐{[(2S)‐2‐benzamido‐3‐phenylpropanoyl]amino}‐3‐phenylpropyl acetate) derivatives were synthesized and evaluated for their anti‐HBV and cytotoxic activities in vitro. Six compounds (4g, 4j, 5c, 5g, 5h and 5i) showed significant inhibition against HBV DNA replication with the IC50 values in range of 2.18 – 8.55 μm, which were much lower than that of positive control lamivudine (IC50 82.42 μm). In particular, compounds 5h (IC50 2.18 μm; SI 151.59) and 5j (IC50 5.65 μm; SI 51.16) displayed relatively low cytotoxicities, resulting in high SI values. Notably, besides the anti‐HBV DNA replication activity, compound 4j also exhibited more potent in vitro cytotoxic activity than 5‐fluorouracil in two hepatocellular carcinoma cell (HCC) lines (QGY‐7701 and SMMC‐7721), indicating that 4j may be a promising lead for the exploration of drugs with dual therapeutic effects on HBV infection and HBV‐induced HCC.
Four New Kaurane Diterpenoids from the Chinese Liverwort Jungermannia comata Nees
Authors: Li Rui‐Juan , Wang Song , Li Gang , Zhou Jin‐Chuan , Zhang Jiao‐Zhen , Zhang You‐Ming , Shi Guo‐Sheng , Lou Hong‐Xiang
Published: July 2016

In our continuing program to find new bioactive compounds from the Chinese liverworts, four new kaurane‐type diterpenoids, (6β)‐kaur‐16‐ene‐6,9‐diol (1), (6β,12β)‐kaur‐16‐ene‐6,9,12‐triol (2), (6β)‐kaur‐16‐ene‐5,6,9‐triol (3), and kaur‐16‐ene‐9,19‐diol (4), have been isolated from the Chinese liverwort Jungermannia comata Nees. Five known kaurane‐type diterpenoids (5 – 9) and four known trachylobane‐type diterpenoids (10 – 13) were also obtained. The structures of the new compounds were established unequivocally on the basis of spectroscopic data. The absolute configuration of compound 1 was established by comparing experimental and calculated electronic circular dichroism spectra.
Chemical Composition and Antimicrobial Activity of the Essential Oil from Aerial Parts and Roots of Eryngium barrelieri Boiss. and Eryngium glomeratum Lam. from Tunisia
Authors: Landoulsi Ameni , Roumy Vincent , Duhal Nathalie , Skhiri Fethia Harzallah , Rivière Céline , Sahpaz Sevser , Neut Christel , Benhamida Jeannette , Hennebelle Thierry
Published: July 2016

The study of chemical composition and biological activity of unexplored essential oils may open new perspectives on their potential use in facing major health concerns such as drug‐resistant infections. The present study investigates the chemical composition and antimicrobial effects of previously unstudied essential oils obtained from genus Eryngium: Eryngium glomeratum Lam. and Eryngium barrelieri Boiss. The chemical compositions of the essential oils from aerial parts and roots of both species were studied using GC and GC/MS analytical technics. The analysis led to the identification of 102 compounds totalizing 85 – 94% of all detected compounds. Essential oils were characterized by the predominance of oxygenated sesquiterpenes. The oils obtained from aerial parts were tested against 36 microbial strains by agar dilution method and showed minimum inhibitory concentrations (MIC) in the range of 2 – 625 μg/ml. A strong antibacterial activity against multiresistant Pseudomonas aeruginosa was observed especially from E. glomeratum essential oil with MIC value up to 2 μg/ml. These findings give significant information about the pharmacological activity of these essential oils, which suggest their potential use to develop new remedies, or as sources of active compounds.
Fusaproliferin, Terpestacin and Their Derivatives Display Variable Allelopathic Activity Against Some Ascomycetous Fungi
Authors: Cimmino Alessio , Sarrocco Sabrina , Masi Marco , Diquattro Stefania , Evidente Marco , Vannacci Giovanni , Evidente Antonio
Published: July 2016

Herbivorous mammal dung supports a large variety of fimicolous fungi able to produce different bioactive secondary metabolites to compete with other organisms. Recently, the organic extracts of the Solid State Fermentation (SSF) cultures of Cleistothelebolus nipigonensis and Neogymnomyces virgineus, showing strong antifungal activity, were preliminarily investigated. This manuscript reports the isolation of the main metabolites identified, using spectroscopic and optical methods, as fusaproliferin (1) and terpestacin (2). Furthermore, some key hemisynthetic derivatives were prepared and their antifungal activity was tested against the same fungi previously reported to be affected by the organic extracts obtained from SSF. These metabolites and their derivatives resulted able to reduce the growth of Alternaria brassicicola, Botrytis cinerea and Fusarium graminearum in a variable extent strongly dependent from chemical modifications and test fungi. The hydroxy enolic group at C(17) appeared to be a structural feature important to impart activity. This study represents the first report of these secondary metabolites produced by C. nipigonensis and N. virgineus.
Four New Tirucallane Triterpenoids from the Fruits of Melia azedarach and Their Cytotoxic Activities
Authors: Zhou Fang , Ma Xin‐Hua , Li Zhi‐Jun , Li Wei , Zheng Wei‐Min , Wang Zhi‐Biao , Zeng Xian‐Ming , Sun Kai‐Hui , Zhang Yong‐Hong
Published: July 2016

Four new tirucallane triterpenoids, (21S,23R,24R)‐21,23‐epoxy‐21,24‐dihydroxy‐25‐methoxytirucall‐7‐en‐3‐one (2), (3S,21S,23R,24S)‐21,23‐epoxy‐21,25‐dimethoxytirucall‐7‐ene‐3,24‐diol (8), (21S,23R,24R)‐21,23‐epoxy‐24‐hydroxy‐21‐methoxytirucalla‐7,25‐dien‐3‐one (11), and (21S,23R,24R)‐21,23‐epoxy‐21,24‐dihydroxytirucalla‐7,25‐dien‐3‐one (12), along with 16 known analogues, 1, 3 – 7, 9 – 10, and 13 – 20, were isolated from the fruits of Melia azedarach. Their structures were elucidated by spectroscopic methods including 1D‐ and 2D‐NMR techniques and mass spectrometry. These compounds were evaluated for their cytotoxicities against HepG2 (liver), SGC7901 (stomach), K562 (leukemia), and HL60 (leukemia) cancer cell lines. Compound 20 exhibited potent cytotoxicity against HepG2 and SGC7901 cancer cells with the IC50 values of 6.9 and 6.9 μm, respectively.
Composition and Bioactivity of Lipophilic Metabolites from Needles and Twigs of Korean and Siberian Pines (Pinus koraiensis Siebold & Zucc. and Pinus sibirica Du Tour)
Authors: Shpatov Alexander V. , Popov Sergey A. , Salnikova Olga I. , Kukina Tatyana P. , Shmidt Emma N. , Um Byung Hun
Published: July 2016

Lipophilic extractive metabolites in different parts of the shoot system (needles and defoliated twigs) of Korean pine, Pinus koraiensis, and Siberian pine, Pinus sibirica, were studied by GC/MS. Korean pine needles comprised mainly bornyl p‐coumarate, heterocyclic 15‐O‐functionalized labdane type acids (lambertianic acid), 10‐nonacosanol, sterols and their esters. While Siberian pine needles contained less bornyl p‐coumarate, lambertianic acid, sterols and their esters, but were richer in other 15‐O‐functionalized labdane type acids. The major components of the twig extract of P. koraiensis were lambertianic acid, abietane and isopimarane type acids, cembrane type alcohols, 8‐O‐functionalized labdanoids, sterols, sterol esters, and acylglycerols. The same extract of P. sibirica differed in larger amounts of other 15‐O‐functionalized labdane type acids and pinolenic acid glycerides, but in less quantities of cembranoids and 8‐O‐functionalized labdanoids. The labdane type pinusolic acid was detected for the first time in Korean pine. P. koraiensis was found to be unique in the genus for an ability to synthesize phyllocladane diterpenoids. The content of bound Δ5‐unsaturated polymethylene‐interrupted fatty acids in the twig extracts of the both pines was similar or superior to that in their seed oil. Among the pines’ metabolites tested isocembrol was strongest in inhibition of both α‐glucosidase (IC50 2.9 μg/ml) and NO production in activated macrophages (IC50 3.6 μg/ml).
Mitochondrial permeability transition pore (MPTP) desensitization increases sea urchin spermatozoa fertilization rate
Authors: Torrezan‐Nitao Elis , Boni Raianna , Marques‐Santos Luis Fernando
Published: July 2016

Mitochondrial permeability transition pore (MPTP) is a protein complex whose opening promotes an abrupt increase in mitochondrial inner membrane permeability. Calcium signaling pathways are described in gametes and are involved in the fertilization process. Although mitochondria may act as Ca2+ store and have a fast calcium‐releasing mechanism through MPTP, its contribution to fertilization remains unclear. The work aimed to investigate the MPTP phenomenon in sea urchin spermatozoa and its role on the fertilization. Several pharmacological tools were used to evaluate the MPTP's physiology. Our results demonstrated that MPTP occurs in male gametes in a Ca2+‐ and voltage‐dependent manner and it is sensitive to cyclosporine A. Additionally, our data show that MPTP opening does not alter ROS generation in sperm cells. Inhibition of MPTP in spermatozoa strongly improved the fertilization rate, which may involve mechanisms that increase the spermatozoa lifespan. The present work is the first report of the presence of a voltage‐ and Ca2+‐dependent MPTP in gametes of invertebrates and indicates MPTP opening as another evolutionary feature shared by sea urchins and mammals. Studies about MPTP in sea urchin male gametes may contribute to the elucidation of several mechanisms involved in sperm infertility.
A novel suturing approach for tissue displacement within minimally invasive periodontal plastic surgery
Authors: Ronco Vincent , Dard Michel
Published: July 2016

Key Clinical Message

This paper describes a novel suturing approach that achieves harmonious and atraumatic soft tissue displacement in periodontal plastic surgery and soft tissue management around implants. The technique relies on a combination of horizontal and vertical mattress that are anchored at the splinted incisal contact points.
Multi‐class analysis of new psychoactive substances and metabolites in hair by pressurized liquid extraction coupled to HPLC‐HRMS
Authors: Montesano Camilla , Vannutelli Gabriele , Massa Maristella , Simeoni Maria Chiara , Gregori Adolfo , Ripani Luigi , Compagnone Dario , Curini Roberta , Sergi Manuel
Published: July 2016

In this paper, an analytical method has been developed and validated for the analysis of new psychoactive substances (NPS) and metabolites in hair samples. The method was based on pressurized liquid extraction (PLE) followed by solid‐phase extraction (SPE) clean‐up and high performance liquid chromatography‐high resolution mass spectrometry (HPLC‐HRMS) analysis. To evaluate extraction efficiency and the applicability of the method, hair samples were fortified by soaking in order to obtain a good surrogate for drug users' hair; the amount of incorporated drugs related to their lipophilicity, similarly to in vivo drug incorporation. To the best of our knowledge, this is the first method that allowed for the analysis of both cathinones (5) and synthetic cannabinoids (7) in hair with a single extraction procedure and chromatographic run. A phenethylamine (2C‐T‐4), 4‐ fluorophenylpiperazine and methoxetamine were also included showing that PLE coupled to SPE clean‐up was suitable for a multi‐class analysis of NPS in hair. In addition, the use of PLE significantly reduced hair analysis time: decontamination, incubation, clean‐up, and liquid chromatography‐mass spectrometry (LC‐MS) analysis were carried out in approximately 45 min. The method was fully validated according to Scientific Working Group for Forensic Toxicology (SWGTOX) and Society of Hair Testing (SoHT) guidelines. Limit of quantification (LOQ) values ranged from 8 to 50 pg mg‐1 for cathinones, phenetylamines and piperazines, and from 9 to 40 pg mg‐1 for synthetic cannabinoids (10 pg mg‐1 for methoxetamine). Matrix effects were below 15% for all the analytes, demonstrating the effectiveness of the clean‐up step. Inaccuracy was lower than 9% in terms of bias. Copyright © 2016 John Wiley & Sons, Ltd.
Foraging decisions underlying restricted space use: effects of fire and forage maturation on large herbivore nutrient uptake
Authors: Raynor Edward J. , Joern Anthony , Nippert Jesse B. , Briggs John M.
Published: July 2016

Recent models suggest that herbivores optimize nutrient intake by selecting patches of low to intermediate vegetation biomass. We assessed the application of this hypothesis to plains bison (Bison bison) in an experimental grassland managed with fire by estimating daily rates of nutrient intake in relation to grass biomass and by measuring patch selection in experimental watersheds in which grass biomass was manipulated by prescribed burning. Digestible crude protein content of grass declined linearly with increasing biomass, and the mean digestible protein content relative to grass biomass was greater in burned watersheds than watersheds not burned that spring (intercept;F1,251 = 50.57,P < 0.0001). Linking these values to published functional response parameters,ad libitumprotein intake, and protein expenditure parameters, Fryxell's (Am. Nat., 1991,138, 478) model predicted that the daily rate of protein intake should be highest when bison feed in grasslands with 400–600 kg/ha. In burned grassland sites, where bison spend most of their time, availability of grass biomass ranged between 40 and 3650 kg/ha, bison selected foraging areas of roughly 690 kg/ha, close to the value for protein intake maximization predicted by the model. The seasonal net protein intake predicted for large grazers in this study suggest feeding in burned grassland can be more beneficial for nutrient uptake relative to unburned grassland as long as grass regrowth is possible. Foraging site selection for grass patches of low to intermediate biomass help explain patterns of uniform space use reported previously for large grazers in fire‐prone systems.
Effects of climate warming on plant autotoxicity in forest evolution: a case simulation analysis for Picea schrenkiana regeneration
Authors: Ruan Xiao , Pan Cun‐De , Liu Run , Li Zhao‐Hui , LI Shu‐Ling , Jiang De‐An , Zhang Jing‐Chi , Wang Geoff , Zhao Yin‐Xian , Wang Qiang
Published: July 2016

In order to explore how plant autotoxicity changes with climate warming, the autotoxicity of P. schrenkiana needles' water extract, organic extract fractions, and key allelochemical DHAP was systemically investigated at the temperature rising 2 and 4°C based on the data‐monitored soil temperature during the last decade in the stage of Schrenk spruce regeneration (seed germination and seedling growth). The results showed that the criterion day and night temperatures were 12°C and 4°C for seed germination, and 14°C and 6°C for seedling growth, respectively. In the presence of water extract, the temperature rise of 2°C significantly inhibited the germination vigor and rate of P. Schrenkiana seed, and a temperature rise of 4°C significantly increased the inhibition to the seedling growth (P < 0.05). Among the three organic fractions, the low‐polar fraction showed to be more phytotoxic than the other two fractions, causing significant inhibitory effects on the seed germination and growth even at low concentration of 0.1 mg/mL, and the inhibition effect was enhanced as temperature increased. The temperature rise significantly enhanced the promotion effect of DHAP, while the inhibition effect of temperature rise became less important with increasing concentration of DHAP. This investigation revealed that autotoxicity of P. schrenkiana was affected by the climate warming. As expected, it provided an insight into the mechanism and effectiveness of allelopathy in bridging the causal relationship between forest evolution and climate warming.
The statistical power to detect cross‐scale interactions at macroscales
Authors: Wagner Tyler , Fergus C. Emi , Stow Craig A. , Cheruvelil Kendra S. , Soranno Patricia A.
Published: July 2016

Macroscale studies of ecological phenomena are increasingly common because stressors such as climate and land‐use change operate at large spatial and temporal scales. Cross‐scale interactions (CSIs), where ecological processes operating at one spatial or temporal scale interact with processes operating at another scale, have been documented in a variety of ecosystems and contribute to complex system dynamics. However, studies investigating CSIs are often dependent on compiling multiple data sets from different sources to create multithematic, multiscaled data sets, which results in structurally complex, and sometimes incomplete data sets. The statistical power to detect CSIs needs to be evaluated because of their importance and the challenge of quantifying CSIs using data sets with complex structures and missing observations. We studied this problem using a spatially hierarchical model that measures CSIs between regional agriculture and its effects on the relationship between lake nutrients and lake productivity. We used an existing large multithematic, multiscaled database, LAke multiscaled GeOSpatial, and temporal database (LAGOS), to parameterize the power analysis simulations. We found that the power to detect CSIs was more strongly related to the number of regions in the study rather than the number of lakes nested within each region. CSI power analyses will not only help ecologists design large‐scale studies aimed at detecting CSIs, but will also focus attention on CSI effect sizes and the degree to which they are ecologically relevant and detectable with large data sets.
Shifting demographic conflicts across recruitment cohorts in a dynamic post‐disturbance landscape
Authors: Leverkus Alexandro B. , Rey Benayas José María , Castro Jorge
Published: July 2016

Seed dispersal effectiveness, which measures the number of adult plant individuals produced by seed dispersal, is the product of the number of seeds dispersed and the probability a seed produces an adult. Directed dispersal to certain habitat types may enhance some stages of recruitment but disfavor others, generating demographic conflicts in plant ontogeny. We asked whether temporal changes in habitat features may affect the distribution of seedlings recruited from dispersed acorns, and whether this could induce shifts in the life‐stage conflicts experienced by successive cohorts of naturally recruited plants. As early successional habitats are characterized by rapid change, we used a burnt pine stand in southern Spain to monitor the recruitment and performance of a major tree species (Quercus ilex) across 7 yr in four types of post‐fire habitats. These differed in structure and included patches of unburnt forest and three management alternatives of burnt trees: logging, partial cutting, and nonintervention. Young oaks that resprouted after the fire were mainly located near acorn sources, while new seedlings initially emerged mostly in habitats with standing snags due to habitat selection by European jays, Garrulus glandarius, for dispersal. The dead pines gradually collapsed and attracted less dispersal, so subsequent seedling cohorts mainly recruited within patches of unburnt pines. These live pines enhanced the survival of the oaks located beneath their canopy but greatly reduced their growth as compared to the other post‐fire habitats, thus representing a demographic conflict that was absent elsewhere. As a consequence of the directional shift in the habitat where seedlings recruited, successive seedling cohorts experienced a gradual improvement in their likelihood of survival but a reduction in growth. The progressive intensification of this life‐stage conflict hinged on the reduction of vertical structures in the habitat with standing burnt pines. Recruitment success thus involved temporal variation in the habitat where recruitment occurred, likely resulting from changes in the direction of seed dispersal, and spatial variation in habitat suitability for seedling establishment and growth. Temporal changes in habitat structure can indirectly change the environment in which recruitment occurs, and consequently seed dispersal effectiveness, by shifting the direction of seed dispersal.
Chronic wasting disease in white‐tailed deer: infection, mortality, and implications for heterogeneous transmission
Authors: Samuel Michael D. , Storm Daniel J.
Published: July 2016

Chronic wasting disease (CWD) is a fatal neurodegenerative disease affecting free‐ranging and captive cervids that now occurs in 24 U.S. states and two Canadian provinces. Despite the potential threat of CWD to deer populations, little is known about the rates of infection and mortality caused by this disease. We used epidemiological models to estimate the force of infection and disease‐associated mortality for white‐tailed deer in the Wisconsin and Illinois CWD outbreaks. Models were based on age‐prevalence data corrected for bias in aging deer using the tooth wear and replacement method. Both male and female deer in the Illinois outbreak had higher corrected age‐specific prevalence with slightly higher female infection than deer in the Wisconsin outbreak. Corrected ages produced more complex models with different infection and mortality parameters than those based on apparent prevalence. We found that adult male deer have a more than threefold higher risk of CWD infection than female deer. Males also had higher disease mortality than female deer. As a result, CWD prevalence was twofold higher in adult males than females. We also evaluated the potential impacts of alternative contact structures on transmission dynamics in Wisconsin deer. Results suggested that transmission of CWD among male deer during the nonbreeding season may be a potential mechanism for producing higher rates of infection and prevalence characteristically found in males. However, alternatives based on high environmental transmission and transmission from females to males during the breeding season may also play a role.
Chronic warming stimulates growth of marsh grasses more than mangroves in a coastal wetland ecotone
Authors: Coldren G. A. , Barreto C. R. , Wykoff D. D. , Morrissey E. M. , Langley J. A. , Feller I. C. , Chapman S. K.
Published: July 2016

Increasing temperatures and a reduction in the frequency and severity of freezing events have been linked to species distribution shifts. Across the globe, mangrove ranges are expanding toward higher latitudes, likely due to diminishing frequency of freezing events associated with climate change. Continued warming will alter coastal wetland plant dynamics both above‐ and belowground, potentially altering plant capacity to keep up with sea level rise. We conducted an in situ warming experiment, in northeast Florida, to determine how increased temperature (+2°C) influences co‐occurring mangrove and salt marsh plants. Warming was achieved using passive warming with three treatment levels (ambient, shade control, warmed). Avicennia germinans, the black mangrove, exhibited no differences in growth or height due to experimental warming, but displayed a warming‐induced increase in leaf production (48%). Surprisingly, Distichlis spicata, the dominant salt marsh grass, increased in biomass (53% in 2013 and 70% in 2014), density (41%) and height (18%) with warming during summer months. Warming decreased plant root mass at depth and changed abundances of anaerobic bacterial taxa. Even while the poleward shift of mangroves is clearly controlled by the occurrences of severe freezes, chronic warming between these freeze events may slow the progression of mangrove dominance within ecotones.
Variation in stability of elk and red deer populations with abiotic and biotic factors at the species‐distribution scale
Authors: Ahrestani Farshid S. , Smith William K. , Hebblewhite Mark , Running Steven , Post Eric
Published: July 2016

Stability in population dynamics is an emergent property of the interaction between direct and delayed density dependence, the strengths of which vary with environmental covariates. Analysis of variation across populations in the strength of direct and delayed density dependence can reveal variation in stability properties of populations at the species level. We examined the stability properties of 22 elk/red deer populations in a two‐stage analysis. First, we estimated direct and delayed density dependence applying anAR(2) model in a Bayesian hierarchical framework. Second, we plotted the coefficients of direct and delayed density dependence in the Royama parameter plane. We then used a hierarchical approach to test the significance of environmental covariates of direct and delayed density dependence. Three populations exhibited highly stable and convergent dynamics with strong direct, and weak delayed, density dependence. The remaining 19 populations exhibited more complex dynamics characterized by multi‐annual fluctuations. Most (15 of 19) of these exhibited a combination of weak to moderate direct and delayed density dependence. Best‐fit models included environmental covariates in 17 populations (77% of the total). Of these, interannual variation in growing‐season primary productivity and interannual variation in winter temperature were the most common, performing as the best‐fit covariate in six and five populations, respectively. Interannual variation in growing‐season primary productivity was associated with the weakest combination of direct and delayed density dependence, while interannual variation in winter temperature was associated with the strongest combination of direct and delayed density dependence. These results accord with a classic theoretical prediction that environmental variability should weaken population stability. They furthermore suggest that two forms of environmental variability, one related to forage resources and the other related to abiotic conditions, both reduce stability, but in opposing fashion: one through weakened direct density dependence and the other through strengthened delayed density dependence. Importantly, however, no single abiotic or biotic environmental factor emerged as generally predictive of the strengths of direct or delayed density dependence, nor of the stability properties emerging from their interaction. Our results emphasize the challenges inherent to ascribing primacy to drivers of such parameters at the species level and distribution scale.
Normal human mitral valve proteome: A preliminary investigation by gel‐based and gel‐free proteomic approaches
Authors: Brioschi Maura , Baetta Roberta , Ghilardi Stefania , Gianazza Erica , Guarino Anna , Parolari Alessandro , Polvani Gianluca , Tremoli Elena , Banfi Cristina
Published: July 2016

The mitral valve is a highly complex structure which regulates blood flow from the left atrium to the left ventricle (LV) avoiding a significant forward gradient during diastole or regurgitation during systole. The integrity of the mitral valve is also essential for the maintenance of normal LV size, geometry, and function. Significant advances in the comprehension of the biological, functional, and mechanical behavior of the mitral valve have recently been made. However, current knowledge of protein components in the normal human mitral valve is still limited and complicated by the low cellularity of this tissue and the presence of high abundant proteins from the extracellular matrix. We employed here an integrated proteomic approach to analyse the protein composition of the normal human mitral valve and reported confident identification of 422 proteins, some of which have not been previously described in this tissue. In particular, we described the ability of pre‐MS separation technique based on liquid‐phase IEF and SDS‐PAGE to identify the largest number of proteins. We also demonstrated that some of these proteins, e.g. αB‐Crystallin, septin‐11, four‐and‐a‐half LIM domains protein 1, and dermatopontin, are synthesised by interstitial cells isolated from human mitral valves. These initial results provide a valuable basis for future studies aimed at analysing in depth the mitral valve protein composition and at investigating potential pathogenetic molecular mechanisms.

Data are available via ProteomeXchange with identifier PXD004397.
Development of a quantitation approach for total human and male DNA based on real time PCR followed by high resolution melting analysis
Authors: Ginart Santiago , Caputo Mariela , Alechine Evguenia , Corach Daniel , Sala Andrea
Published: July 2016

We developed and validated a total human DNA quantitation technique that simultaneously allows male DNA detection. This assay, called Amel‐Y, is a duplex Real Time PCR followed by HRM (high resolution melting) analysis using the intercalating dye SYTO9. Amel‐Y duplex produces two amplicons, one for the amelogenin gene (106/112 bp, female/male) and another (84 bp) corresponding to human Y chromosome‐specific fragment to detect male DNA. After HRM analysis, two melting peaks differing in 5.3°C–5.5°C are detected if both male and female DNA are present and only one if only female DNA is present. For specificity assessment, the inclusion of high concentrations of bacterial and fungal DNA in the quantitation reactions allowed discarding species cross‐reactivity. A set of crime scene evidence from forensic casework has been quantified with commercial kits and compared with Amel‐Y duplex. Our method detected male DNA from a concentration of 18 pg/μL and supports autosomal/Y DNA detection ratio up to 200:1. A limitation of the technique is its inability to quantify male and female donnors in a mixed sample. The Amel‐Y duplex demonstrated to be an efficient system for quantifying total human DNA being a specific, rapid, sensitive, and cost‐effective method suitable for mixed DNA samples and applicable to any field where human DNA quantification is required, such as molecular diagnosis, population genetics, and forensic identification.
Analytical capillary isotachophoresis after 50 years of development: Recent progress 2014–2016
Authors: Malá Zdena , Gebauer Petr , Boček Petr
Published: July 2016

This review brings a survey of papers on analytical ITP published since 2014 until the first quarter of 2016. The 50th anniversary of ITP as a modern analytical method offers the opportunity to present a brief view on its beginnings and to discuss the present state of the art from the viewpoint of the history of its development. Reviewed papers from the field of theory and principles confirm the continuing importance of computer simulations in the discovery of new and unexpected phenomena. The strongly developing field of instrumentation and techniques shows novel channel methodologies including use of porous media and new on‐chip assays, where ITP is often included in a preseparative or even preparative function. A number of new analytical applications are reported, with ITP appearing almost exclusively in combination with other principles and methods.
Parallel implementation of data assimilation
Authors: Bibov Alexander , Haario Heikki
Published: July 2016

Kalman filter is a sequential estimation scheme that combines predicted and observed data to reduce the uncertainty of the next prediction. Because of its sequential nature, the algorithm cannot be efficiently implemented on modern parallel compute hardware nor can it be practically implemented on large‐scale dynamical systems because of memory issues. In this paper, we attempt to address pitfalls of the earlier low‐memory approach described in and extend it for parallel implementation. First, we describe a low‐memory method that enables one to pack covariance matrix data employed by the Kalman filter into a low‐memory form by means of certain quasi‐Newton approximation. Second, we derive parallel formulation of the filtering task, which allows to compute several filter iterations independently. Furthermore, this leads to an improvement of estimation quality as the method takes into account the cross‐correlations between consequent system states. We experimentally demonstrate this improvement by comparing the suggested algorithm with the other data assimilation methods that can benefit from parallel implementation. Copyright © 2016 John Wiley & Sons, Ltd.
Impacts of changing climate on the hydrology and hydropower production of the Tagus River basin
Authors: Lobanova Anastasia , Koch Hagen , Liersch Stefan , Hattermann Fred F. , Krysanova Valentina
Published: July 2016

The Tagus River basin is an ultimately important water source for hydropower production, urban and agricultural water supply in Spain and Portugal. Growing electricity and water supply demands, over‐regulation of the river and construction of new dams, as well as large inter‐basin and intra‐basin water transfers aggravated by strong natural variability of climate in the catchment, have already imposed significant pressures on the river. The substantial reduction of discharge is observed already now, and projected climatic change is expected to alter the water budget of the catchment further.In this study, we address the effects of projected climate change on the water resources availability in the Tagus River basin and influence of potential changes on hydropower generation of the three important reservoirs in the basin. The catchment‐scale, process‐based eco‐hydrological model soil and water integrated model was set up, calibrated and validated for the entire Tagus River basin, taking into account 15 large reservoirs in the catchment. The future climate projections were selected from those generated within the Inter‐Sectoral Impact Model Intercomparison Project. They include five bias‐corrected climatic datasets for the region, obtained from global circulation model runs under two emissions scenario – moderate and extreme ones – and covered the whole century. The results show a strong agreement among model runs in projecting substantial decrease of discharge of the Tagus River discharge and, consequently, a strong decrease in hydropower production under both future climate scenarios. Copyright © 2016 John Wiley & Sons, Ltd.