bluuebunny/crossref_metadata_2025 huggingface dataset:
Luminescent PtII and PtIV Platinacycles with Anticancer Activity Against Multiplatinum‐Resistant Metastatic CRC and CRPC Cell Models
Authors: Lázaro Ariadna , Balcells Cristina , Quirante Josefina , Badia Josefa , Baldomà Laura , Ward Jas S. , Rissanen Kari , Font‐Bardia Mercè , Rodríguez Laura , Crespo Margarita , Cascante Marta
Published: January 2020

Platinum‐based chemotherapy persists to be the only effective therapeutic option against a wide variety of tumours. Nevertheless, the acquisition of platinum resistance is utterly common, ultimately cornering conventional platinum drugs to only palliative in many patients. Thus, encountering alternatives that are both effective and non‐cross‐resistant is urgent. In this work, we report the synthesis, reduction studies, and luminescent properties of a series of cyclometallated (C,N,N′)PtIV compounds derived from amine–imine ligands, and their remarkable efficacy at the high nanomolar range and complete lack of cross‐resistance, as an intrinsic property of the platinacycle, against multiplatinum‐resistant colorectal cancer (CRC) and castration‐resistant prostate cancer (CRPC) metastatic cell lines generated for this work. We have also determined that the compounds are effective and selective for a broader cancer panel, including breast and lung cancer. Additionally, selected compounds have been further evaluated, finding a shift in their antiproliferative mechanism towards more cytotoxic and less cytostatic than cisplatin against cancer cells, being also able to oxidize cysteine residues and inhibit topoisomerase II, thereby holding great promise as future improved alternatives to conventional platinum drugs.
Ottokraftstoffe aus erneuerbarem Methanol
Authors: Jung Constanze , Seifert Peter , Mehlhose Friedemann , Hahn Christoph , Schröder Daniel , Wolfersdorf Christian , Kureti Sven , Meyer Bernd
Published: January 2020

Zur Herstellung emissionsarmer synthetischer Ottokraftstoffe mit optimierter Qualität aus regenerativem Methanol erfolgten im Rahmen des Kopernikus‐Verbundvorhabens „Power‐to‐X” Katalysator‐ und Prozessoptimierungen. Hierzu wurden eine Laborversuchsanlage mit Festbettreaktor entsprechend der weiterentwickelten STF‐Technologie STF+ errichtet und Versuche mit verschiedenen Katalysatoren und Einsatzstoffen sowie einem breiten Spektrum an Prozessparametern durchgeführt. Die präzise einstellbaren isothermen Synthesebedingungen ermöglichen die gezielte Einstellung der chemischen Eigenschaften der erzeugten hochoktanigen Ottokraftstoffe.
Power‐to‐Fuels: E‐Fuels as an Important Option for a Climate‐Friendly Mobility of the Future
Authors: Ausfelder Florian , Wagemann Kurt
Published: January 2020

The Paris climate accord – in continuation of the original Kyoto agreement – and the German federal government's climate protection plan establish ambitious goals for overall CO2 reduction. In 2050, a reduction of 80–95 % in comparison to the reference year 1990 is aspired for. This essay tries to outline challenges and boundary conditions for using e‐fuels to directly substitute currently used fossil fuels in internal combustion engines and turbines.
PROTOCOL: A comparison of the effectiveness of cognitive behavioural interventions based on delivery features for elevated symptoms of depression in adolescents
Authors: Bjornstad Gretchen J. , Sonthalia Shreya , Rouse Benjamin , Timmons Luke , Whybra Laura , Axford Nick
Published: January 2020

This is the protocol for a Campbell review. The primary aim is to estimate the relative efficacy of different modes of CBT delivery compared with control conditions for reducing depressive symptoms in adolescents. The secondary aim is to compare the different modes of delivery with regards to intervention completion/attrition (used as a proxy for intervention acceptability). The review will provide relative effect estimates and ranking probabilities for each outcome based on intervention delivery.
Factors associated with biomedical research participation within community‐based samples across 3 National Cancer Institute–designated cancer centers
Authors: Barrett Nadine J. , Rodriguez Elisa M. , Iachan Ronaldo , Hyslop Terry , Ingraham Kearston L. , Le Gem M. , Martin Kelly , Haring Rodney C. , Rivadeneira Natalie A. , Erwin Deborah O. , Fish Laura J. , Middleton Deirdre , Hiatt Robert A. , Patierno Steven R. , Sarkar Urmimala , Gage‐Bouchard Elizabeth A.
Published: January 2020

Background

Engaging diverse populations in biomedical research, including biospecimen donation, remains a national challenge. This study examined factors associated with an invitation to participate in biomedical research, intent to participate in biomedical research in the future, and participation in biomedical research and biospecimen donation among a diverse, multilingual, community‐based sample across 3 distinct geographic areas.

Methods

Three National Cancer Institute–designated cancer centers engaged in community partnerships to develop and implement population health assessments, reaching a convenience sample of 4343 participants spanning their respective catchment areas. Data harmonization, multiple imputation, and multivariable logistic modeling were used.

Results

African Americans, Hispanic/Latinos, and other racial minority groups were more likely to be offered opportunities to participate in biomedical research compared to whites. Access to care, history of cancer, educational level, survey language, nativity, and rural residence also influenced opportunity, intent, and actual participation in biomedical research.

Conclusions

Traditionally underserved racial and ethnic groups reported heightened opportunity and interest in participating in biomedical research. Well‐established community partnerships and long‐standing community engagement around biomedical research led to a diverse sample being reached at each site and may in part explain the current study findings. However, this study illustrates an ongoing need to establish trust and diversify biomedical research participation through innovative and tailored approaches. National Cancer Institute–designated cancer centers have the potential to increase opportunities for diverse participation in biomedical research through community partnerships and engagement. Additional work remains to identify and address system‐level and individual‐level barriers to participation in both clinical trials and biospecimen donation for research.
Dynamic load balancing for a mesh‐based scientific application
Authors: Zhai Keke , Banerjee Tania , Zwick David , Hackl Jason , Koneru Rahul , Ranka Sanjay
Published: January 2020

CMT‐nek is a new scientific application for performing high fidelity predictive simulations of particle‐laden, explosively dispersed turbulent flows. CMT‐nek is compute‐intensive and targeted for deployment on exascale platforms. The moving particles are the primary source of load imbalance when the application is executed on parallel processors. In a demonstration problem, all the particles are initially in a closed container until a detonation occurs and the particles move apart. If all processors get an equal share of the fluid domain, then only some of the processors get sections of the domain that are initially laden with particles, leading to disparate loads on the processors. To eliminate load imbalance in different processors and to speed up the makespan, we present different load‐balancing algorithms for CMT‐nek on large‐scale multicore platforms. The load on a processor is determined using different techniques. The performance of the different load‐balancing algorithms is compared, and the associated overheads are analyzed. Evaluations of the application with and without load‐balancing are conducted, and these show that with load‐balancing, simulation time becomes faster by a factor of up to 9.97. The performance was further improved by a factor of up to 1.42 using machine‐learning–based algorithms.
A unified strategy for West African pearl millet hybrid and heterotic group development
Authors: Sattler Felix T. , Haussmann Bettina I. G.
Published: January 2020

Smallholder farmers in Sahelian West Africa (WA) grow pearl millet [Pennisetum glaucum (L.) R. Br.] as a staple cereal in harsh and highly variable environments, predominantly relying on landraces or open‐pollinated varieties (OPVs) with an average grain yield of 648 kg ha−1 (2017). Encouraging initial results with experimental pearl millet population or topcross hybrids and the available diversity in its WA center of origin offer a great opportunity for a regionally coordinated hybrid breeding approach. This review is therefore meant to summarize information on pearl millet hybrid breeding with emphasis on WA and to suggest a unified strategy as a way forward. Observed average better‐parent heterosis ranged from 4–18% and 0–88% in population and topcross hybrids, respectively, across several studies, and the yield stability was comparable with or better than the parental OPVs. Diversity and combining ability studies pointed at eastern and western WA as promising starting points for systematic development of heterotic groups. Building on respective groups, reciprocal recurrent selection in combination with integration of further adapted genetic resources is recommended to systematically diversify and build up the heterotic parental pools, increase combining ability to the opposite group, and create a continuous output of OPV and hybrid varieties. Molecular markers supporting cytoplasmic male sterility (CMS) introgression are available, and genomic tools can improve hybrid prediction. Regarding the unpredictability and intensity of biotic and abiotic stresses, heterogeneous population and topcross hybrids appear most suitable to sustainably increase pearl millet yields and give maximal benefits to WA farmers.
Security enhancement with joint transmit antenna selection and transmit beamforming under energy harvesting constraints
Authors: Zhao Sai , Tian Maoxin , Li Quanzhong , Huang Gaofei , Tang Dong , Qin Jiayin
Published: January 2020

This paper considers a multiuser multiple‐input single‐output (MISO) broadcasting system with simultaneous wireless information and power transfer (SWIPT), which consists of one information receiver (IR) and several energy harvesting receivers (ERs) which are capable of eavesdropping the legitimate signals. For reducing cost and hardware complexity, transmit antenna selection (TAS) is applied in the transmitter. We aim to maximize the achievable secrecy rate under the individual energy harvesting constraint at the ERs and the transmit power constraint at the transmitter by jointly optimizing TAS, transmit beamforming, and artificial noise (AN). The joint optimization problem is a non‐convex mixed integer programming problem. We apply variable replacements to decouple the variable couplings and relax and approach the binary constraint by the difference of two convex constraints. Afterwards, penalty method and constrained concave convex procedure (CCCP) are applied to transform the relaxed problem into a sequence of semi‐definiteness programming (SDP) problems. Simulation results shows that our proposed joint optimization scheme is superior over existing non‐joint optimization schemes. This paper studies the joint transmit antenna selection (TAS), transmit beamforming, and artificial noise (AN) optimization in a multiple‐input multiple‐output (MISO) wiretap system with simultaneous wireless information and power transfer (SWIPT). The joint optimization problem is nonconvex and we propose a penalty method based scheme to solve it. The simulation results show that our joint optimization scheme is superior to other non‐joint optimization schemes.
Complicated curve association of body weight at diagnosis with C‐peptide in children and adults with new‐onset type 1 diabetes
Authors: Gong Siyuan , Wu Chao , Zhong Ting , Xie Yuting , Liu Fang , Li Juan , Li Xia , Zhou Zhiguang
Published: January 2020

Aim

To investigate the association of body mass index (BMI) or BMI z‐score (BMIz) at diagnosis with β‐cell function in new‐onset type 1 diabetes (T1D) patients in children and adults.

Methods

This was a retrospective cohort study; 256 children (<18 years) and 245 adults (≥18 years) with less than 1‐year duration were recruited and followed for 4 years with an interval of 12 months. Smooth curve fitting, a two‐piecewise linear model, and Cox proportional hazards models were utilized to investigate the influence of BMI/BMIz on C‐peptide levels.

Results

Heavier patients (BMIz ≥ −1 in children and BMI in adults ≥20.2 kg/m2) had greater C‐peptide with a complicated J curve in all age groups after adjustment for age of onset, sex, and disease duration. Moreover, after 4 years of follow‐up, patients with higher BMI/BMIz had a lower risk of β‐cell failure (HR = 0.7; 95% CI, 0.6‐1.0; P = .026). However, no association was found between baseline BMI/BMIz at diagnosis and C‐peptide rate of decline during 1 year follow‐up.

Conclusion

Association between BMI/BMIz and C‐peptide in T1D followed a complicated J curve pattern, and heavier patients had greater C‐peptide at diagnosis and a lower risk of β‐cell failure at 4 years, suggesting that baseline BMI is a useful predictor for β‐cell function in patients with T1D.
Plant sex influences aquatic–terrestrial interactions
Authors: LeRoy Carri J. , Ramstack Hobbs Joy M. , Claeson Shannon M. , Moffett Jordan , Garthwaite Iris , Criss Nichole , Walker Lauren
Published: January 2020

A growing body of research shows that plant genetic factors can influence ecosystem processes and structure communities, but one aspect that has received little study is sex differentiation in dioecious plants. Since headwater streams are reliant on riparian leaf litterfall, plant sex differences in leaf traits may influence in‐stream processes. Sitka willow (Salix sitchensis) at Mount St. Helens is dioecious and heavily infested with the stem‐boring weevil (Cryptorhynchus lapathi), which causes branch dieback and summer litterfall. We found that female willow shrubs tend to grow closer to the stream bank, are more likely to be infected by the weevil, and have 42% higher litter C:N than male willows. These factors may lead to increased litter inputs and slower litter mass loss for female willows. The combination of colonization location, herbivore attack, altered litter quality, and slower mass loss results in female shrubs providing more sustained carbon and nutrient resources to microbes and invertebrates in the early successional streams at Mount St. Helens. In addition, since dioecy is a relatively common trait in riparian habitats, it is possible that plant sex plays a far more interesting role in structuring linked terrestrial–aquatic communities and ecosystem processes than previously understood.
Seasonal facilitative and competitive trade‐offs between shrub seedlings and coastal grasses
Authors: Sinclair Michael N. , Woods Natasha N. , Zinnert Julie C.
Published: January 2020

Shrub expansion is occurring in grasslands globally and may be impacted by the balance of competition and facilitation with existing grasses. Along the mid‐Atlantic and Gulf coasts, the native shrub Morella cerifera (wax myrtle) is rapidly expanding and displacing other native coastal species. Recent research suggests that much of this expansion is due to warming winter temperatures, as temperatures below −15°C kill M. cerifera. The objective of this project was to understand the importance of species interactions with grasses on the growth and physiology of M. cerifera at the seedling life stage through both field and laboratory experiments. In the field, grasses were removed around seedlings and microclimate and shrub physiology and growth were measured. Seeds and seedlings were experimentally frozen to measure the freeze tolerance at both life stages. We found that grasses provided ~1.3°C insulation to shrubs during winter. A freezing threshold for M. cerifera seedlings was experimentally found between −6°C and −11°C, but seeds remained viable after being frozen to the coldest ecologically relevant temperatures. Seedlings competed for light with grasses during warm months and grew more where grasses were clipped, revealing a trade‐off between winter insulation and summer light competition. Morella cerifera exhibits ecosystem engineering at the seedling stage by significantly reducing summer maximum temperatures. When seedlings are very young (less than one year), grasses appear to improve germination and seedling survival. These phenomena enable rapid expansion of M. cerifera across the landscape and likely inform shrub expansion mechanisms in other systems. Although seedlings are small and relatively vulnerable, this life stage appears to have significant implications for ecosystem trajectory in grasslands undergoing shrub encroachment.
The impact of phenotype, ethnicity and genotype on progression of type 2 diabetes mellitus
Authors: Thakarakkattil Narayanan Nair Anand , Donnelly Louise A. , Dawed Adem Y. , Gan Sushrima , Anjana Ranjit M. , Viswanathan Mohan , Palmer Colin N. A. , Pearson Ewan R.
Published: January 2020

Aim

To conduct a comprehensive review of studies of glycaemic deterioration in type 2 diabetes and identify the major factors influencing progression.

Methods

We conducted a systematic literature search with terms linked to type 2 diabetes progression. All the included studies were summarized based upon the factors associated with diabetes progression and how the diabetes progression was defined.

Results

Our search yielded 2785 articles; based on title, abstract and full‐text review, we included 61 studies in the review. We identified seven criteria for diabetes progression: ‘Initiation of insulin’, ‘Initiation of oral antidiabetic drug’, ‘treatment intensification’, ‘antidiabetic therapy failure’, ‘glycaemic deterioration’, ‘decline in beta‐cell function’ and ‘change in insulin dose’. The determinants of diabetes progression were grouped into phenotypic, ethnicity and genotypic factors. Younger age, poorer glycaemia and higher body mass index at diabetes diagnosis were the main phenotypic factors associated with rapid progression. The effect of genotypic factors on progression was assessed using polygenic risk scores (PRS); a PRS constructed from the genetic variants linked to insulin resistance was associated with rapid glycaemic deterioration. The evidence of impact of ethnicity on progression was inconclusive due to the small number of multi‐ethnic studies.

Conclusion

We have identified the major determinants of diabetes progression—younger age, higher BMI, higher HbA1c and genetic insulin resistance. The impact of ethnicity is uncertain; there is a clear need for more large‐scale studies of diabetes progression in different ethnic groups.
Phenoxylation of Alkynes through Mono‐ and Dual Activation Using Group 11 (Cu, Ag, Au) Catalysts
Authors: Ramos Miguel , Poater Jordi , Villegas‐Escobar Nery , Gimferrer Martí , Toro‐Labbé Alejandro , Cavallo Luigi , Poater Albert
Published: January 2020

NHC‐gold(I) based catalysts have displayed outstanding results toward hydroalkoxylation of terminal and internal alkynes in solvent‐free conditions and using low catalyst loadings. It has been demonstrated that, in the hydrophenoxylation reaction the gold complex is composed by two moieties that determine the rate of the reaction by activating both substrates synergistically, i.e. [Au(OR)(NHC)] and [Au(η2‐alkyne)(NHC)]+. Then, these bimetallic systems act cooperatively toward the hydroalkoxylation reaction. Herein, density functional theory studies were carried out to get insights on the mechanism of hydrophenoxylation. The rate‐determining step, which corresponds to the formation of the C(alkyne)–O(alcohol) bond between [Au(OR)(NHC)] and [Au(η2‐alkyne)(NHC)]+, was studied using energy decomposition analyses (EDA). It was found that the C–O bond shows strong electrostatic and orbital interactions between both fragments in the homobimetallic, heterobimetallic and monogold mechanisms. Moreover, the analyses were expanded to copper and argentum, and the steric sensibility was also studied through the use of different NHC ligands, including IMes, IMe, SIMes, IPr, and IPr*, that differ on their steric demand.
Implementation of a Chloride‐selective Electrode Into a Closed Bipolar Electrode System with Fluorimetric Readout
Authors: Jaworska Ewa , Michalska Agata , Maksymiuk Krzysztof
Published: January 2020

Applicability of a bipolar electrode system was tested for arrangements containing a typical ion‐selective electrode (ISE) connected with an electrode coated by a conducting polymer characterized by electroluminescence. In this case a selective response of the ISE membrane at one pole of the bipolar electrode is transduced to a fluorimetric signal obtained by reduction of the conducting polymer at the second pole. This signal transformation mode was studied on example of a simple closed bipolar electrode system composed of all‐solid‐state chloride‐selective electrode with polypyrrole transducer as the sensing pole and the reporting pole represented by electrode coated by poly(3‐octylthiophene) (POT) layer characterized by fluorescence in the neutral state. In this system selective and linear dependences of fluorimetric signal on logarithm of chloride ions concentration in turn‐on mode were recorded for optimized external voltage applied. Alternatively, a concept of cascade bipolar electrode system with incorporation of additional bipolar electrode being a polarization source for the sensing bipolar electrode with ISE and POT layer was also tested. A significant advantage of the cascade system is its possibility to work spontaneously without external polarization. For this case also linear calibration plots of fluorimetric signal vs. logarithm of analyte concentration were recorded.
Theoretical Analysis of a Surface Catalytic Mechanism Associated with Reversible Chemical Reaction Under Conditions of Cyclic Staircase Voltammetry
Authors: Petkovska Sofija , Gulaboski Rubin
Published: January 2020

In this work, we present theoretical results in cyclic staircase voltammetry of a surface catalytic mechanism that features reversible chemical step, the so‐called “surface catalytic ECrev’ mechanism”. We consider specific surface regenerative mechanism, in which both of the electro‐inactive substrates are present in large excess in electrochemical cell from the beginning of the experiment. The chemical reversibility brings at this mechanism more complexity in respect to the features of well‐elaborated surface catalytic EC’ mechanism coupled with chemically irreversible regenerative reaction. As we present plenty of simulated cyclic voltammograms, we also propose methods to get insight to kinetics and thermodynamics parameters relevant to chemical regenerative step. The elaboreted results can be important in analysing the kinetics and thermodynamics of many drug‐drug and drug‐DNA interactions, for example. In addition, with the results elaborated in this work we can access relevant information about the chemistry of important lipophilic enzymes studied in protein‐film voltammetry set up.
Nonsintered lightweight aggregates produced from waste sludge and its characteristics affected by additives
Authors: Cao Yun , Liu Rong , Han Yan , Xu Yifan , Yang Xihong , Zhang Yong
Published: January 2020

In order to solve the disposal problem of municipal solid waste incineration bottom ash sludge (MSWI‐BAS) and decrease the energy consumption and environmental pollution of lightweight aggregates (LWAs) prepared by traditional sintering methods, nonsintered LWA were produced with MSWI‐BAS. The effects of different curing time and additives on the performance of LWA were studied. Results showed that the LWA after 28 days of curing has the best physical properties: compressive strength 1.50 MPa, 1 hr water absorption 35%, and particle density 868 kg/m3. When the MSWI‐BAS content is 64%, the granules have the highest particle strength and particle density, reaching 2 MPa and 860 kg/m3, respectively. Ca2+ and SO42− disintegrated from CaSO4·2H2O interact with the skeleton of LWA to produce silica‐alumina gel materials, which are beneficial to strength. The sodium silicate mainly acts as a binder to promote the reaction of Ca2+ and Al3+ in the reaction system to produce C‐S‐H gels, which increase the density and strength. This innovative technology using MSWI‐BAS to produce high performance and nonsintered LWA is fully compliant with the requirements of clean production and sustainable development.
Resource management for meteorological service in cloud‐edge computing: A survey
Authors: Tang Hongsheng , Zhang Xing , Fu Shucun , Liu Xihua , Wu Qi , Qi Lianyong
Published: January 2020

The ever‐increasing volume of data and the higher demand for real‐time services in the meteorological industry have made the relevant departments face some problems such as how to process data efficiently and deliver services instantly. Hence, by intervening in cloud computing and building meteorological cloud platform, the data are effectively managed and processed which means reliable services could be satisfied. However, a large amount of complex heterogeneous data generated by meteorological stations remote from the cloud center is sent to the cloud for processing to impose bandwidth pressure on the cloud. It will bring substantial access delays in case of frequent access. Meanwhile, the data in the public cloud will encounter security problems for the sensitivity. Therefore, appropriate assistive techniques such as edge computing are urgent to be chosen to solve the aforementioned problems. The collaborative work of edge computing and cloud makes meteorological data sent to the edge nodes for processing, which effectively cuts down the bandwidth pressure, reduces the transmission delay, and advances data security of the cloud. In this paper, we first describe the architecture, classification, and definition of meteorological services in the cloud. Then, the resource management of meteorological services in edge computing and cloud computing is summarized respectively. Furthermore, meteorological applications in cloud computing is introduced. Besides, we explore the future work of meteorological service provisioning in collaborative edge computing and cloud.
Assessment and monitoring of mental workload in subway train operations using physiological, subjective, and performance measures
Authors: Jafari Mohammad‐Javad , Zaeri Farid , Jafari Amir H. , Payandeh Najafabadi Amir T. , Al‐Qaisi Saif , Hassanzadeh‐Rangi Narmin
Published: January 2020

Subway train operation is a complex, sociotechnical system that involves a variety of cognitively demanding tasks. The train operators are responsible for continuously monitoring the surrounding environment, maintaining awareness, processing information, and making decisions under risk. The resulting mental strain on operators can negatively affect their performance and the interaction of the human–machine system. The objective of this study was to evaluate if physiological, subjective, and performance measures could identify the level of mental workloads arising from routine and nonroutine operations in the subway system. A total of 11 subway train operators underwent different driving scenarios in a high‐fidelity simulator. The simulated tasks were divided into two categories: routine operations (preparing to drive and driving between stations without interruptions or emergencies) and nonroutine operation (responding to a tunnel fire, dealing with a high density of passengers, encountering a passenger/technician on the track, and responding to train failure). The mental workload was monitored and evaluated in these tasks using an electrocardiogram, subjective self‐rating scales, and driving performance. Both heart rate variability and performance measures (including reaction time and error rate) detected mental workload variations in the different operations. On the other hand, the subjective ratings (including NASA‐TLX) assessed the overall mental workload associated with a task, without explaining the mental demand variations within the task over time. Subway train drivers experienced different levels of mental workload during routine and nonroutine driving conditions. The findings of this study can be used to extract mental workload limits to optimize workload levels during train operations.
A qualitative descriptive analysis of effects of psychedelic phenethylamines and tryptamines
Authors: Palamar Joseph J. , Acosta Patricia
Published: January 2020

Objective

The number of novel psychedelic phenethylamines and tryptamines has continued to increase, but little academic research has focused on the effects of these substances. We sought to determine and compare the subjective effects of various substances.

Methods

We conducted in‐depth interviews with 39 adults (75.4% male and 87.2% White) who reported experience using psychedelic phenethylamines and/or tryptamines. Participants described the effects of compounds they have used. We examined the subjective drug effects in a qualitative descriptive manner.

Results

Participants reported on the use of 36 compounds. The majority (64.1%) reported the use of 2C series drugs, with 2C‐B use being most prevalent; 38.5% reported the use of NBOMe, and 25.6% reported the use of DOx. With regard to tryptamines, 46.2% reported use, and 4‐AcO‐DMT was the most prevalent drug used in this class. 2C‐B was often described as being more favorable than other 2C series compounds with the effects described as being comparable with MDMA and LSD. NBOMe effects were generally described in an unfavorable manner, and the effects of DOx were often described as lasting too long (12–36 hr). The effects of 4‐AcO‐DMT were often described as mimicking psilocybin.

Conclusion

Knowing the effects of various compounds can inform education, prevention, and harm reduction efforts regarding the use of these drugs.
Liver tissue classification of en face images by fractal dimension‐based support vector machine
Authors: Zhu Yue , Gao Wanrong , Guo Zhenyan , Zhou Yawen , Zhou Yuan
Published: January 2020

Full‐field optical coherence tomography (FF‐OCT) has been reported with its label‐free subcellular imaging performance. To realize quantitive cancer detection, the support vector machine model of classifying normal and cancerous human liver tissue is proposed with en face tomographic images. Twenty samples (10 normal and 10 cancerous) were operated from humans and composed of 285 en face tomographic images. Six histogram features and one proposed fractal dimension parameter that reveal the refractive index inhomogeneities of tissue were extracted and made up the training set. The other different 16 samples (8 normal and 8 cancerous) were imaged (190 images) and employed as the test set with the same features. First, a subcellular‐resolution tomographic image library for four histopathological areas in liver tissue was established. Second, the area under the receiver operating characteristics of 0.9378, 0.9858, 0.9391, 0.9517 for prediction of the cancerous hepatic cell, central vein, fibrosis, and portal vein were measured with the test set. The results indicate that the proposed classifier from FF‐OCT images shows promise as a label‐free assessment of quantified tumor detection, suggesting the fractal dimension‐based classifier could aid clinicians in detecting tumor boundaries for resection in surgery in the future.
fromage: A library for the study of molecular crystal excited states at the aggregate scale
Authors: Rivera Miguel , Dommett Michael , Sidat Amir , Rahim Warda , Crespo‐Otero Rachel
Published: January 2020

The study of photoexcitations in molecular aggregates faces the twofold problem of the increased computational cost associated with excited states and the complexity of the interactions among the constituent monomers. A mechanistic investigation of these processes requires the analysis of the intermolecular interactions, the effect of the environment, and 3D arrangements or crystal packing on the excited states. A considerable number of techniques have been tailored to navigate these obstacles; however, they are usually restricted to in‐house codes and thus require a disproportionate effort to adopt by researchers approaching the field. Herein, we present the FRamewOrk for Molecular AGgregate Excitations (fromage), which implements a collection of such techniques in a Python library complemented with ready‐to‐use scripts. The program structure is presented and the principal features available to the user are described: geometrical analysis, exciton characterization, and a variety of ONIOM schemes. Each is illustrated by examples of diverse organic molecules in condensed phase settings. The program is available at https://github.com/Crespo-Otero-group/fromage.
Synthesis, characterization, computational simulation, biological and anticancer evaluation of Pd(II), Pt(II), Zn(II), Cd(II), and Hg(II) complexes with 2‐amino‐4‐phenyl‐5‐selenocyanatothiazol ligand
Authors: Al‐Janabi Ahmed S. M. , Zaky Rania , Yousef Tarak A. , Nomi Bashar S. , Shaaban Saad
Published: January 2020

New Pd(II), Pt(II), Zn(II), Cd(II), and Hg(II) complexes were synthesized from the reaction of 4‐phenyl‐5‐selenocyanatothiazol‐2‐amine (PhSeCNH) with metal chlorides. The produced compounds were characterized by various spectroscopic techniques. The Material Studio program was used to propose the best fit atomic skeletons for the isolated solid compounds by applying density functional theory. Quantum chemical parameters were determined from such modeling. Also, the synthesized complexes were screened for their cytotoxicity in breast adenocarcinoma (MCF‐7) and human cervical (HeLa) cell lines. Furthermore, the bactericidal activity of the investigated compounds was also evaluated against Staphylococcus aureus as a Gram‐positive bacteria as well as Pseudomonas aeruginosa and Escherichia coli as Gram‐negative bacteria.
The impact of emotion dysregulation on positive and negative symptoms in schizophrenia spectrum disorders: A systematic review
Authors: Liu Jianlin , Chua Jesselyn Jia‐Xin , Chong Siow Ann , Subramaniam Mythily , Mahendran Rathi
Published: January 2020

Objectives

Accumulating research evidence supports the role of emotion dysregulation in the etiology of schizophrenia spectrum disorders. The present systematic review synthesized the extant literature and aimed to determine the effects of cognitive emotion regulation strategies and global emotion dysregulation on positive and negative symptoms in schizophrenia spectrum disorders.

Method

A comprehensive systematic review was conducted to identify quantitative studies published between 2000 and 2019. A total of 22 studies were included in this review.

Results

Overall, maladaptive cognitive emotion regulation strategies of rumination, worry, and suppression were generally related to more positive symptoms, while global emotion dysregulation was related to more positive and negative symptoms.

Conclusions

Our results provide preliminary and conceptual evidence on the role of emotion dysregulation in understanding schizophrenia spectrum disorders. Psychological treatment should further determine the therapeutic value of addressing emotion dysregulation to improve positive and negative symptoms in schizophrenia spectrum disorders.
Anatomy, micromorphology, and physiochemical analysis of Rhus succedanea var. himalaica root
Authors: Khan Shafqat Ali , Barkatullah  , Khan Behramand
Published: January 2020

Root micromorphology can play a vital role in the systematics of angiosperms to understand the complexity among different genera and species. Present study is about microscopic and physiochemical evaluation of Rhus succedanea root belonging to the family Anacardiaceae. Various organoleptic characteristics of root were studied. Microscopy showed that transverse section of the root appeared rounded and presented a typical histological differentiation having different average cells length and width. Under light microscopy and scanning electron microscopy, the powder revealed the existence of pitted xylem vessels, phloem sieve elements, phloem fibers and cork cells, and so forth. Fluorescence study of the powder showed various shades of color that gives a valuable information regarding characterization, authentication, and identification of the plant material. These documented information can be acted as record and monograph of a specific plant materials. Nutritional composition of root showed that Ash, fat, protein, carbohydrates, and total gross energy were higher in summer as compared to winter season. On the other hand, moisture and fibers were higher in winter and declined in summer. Root powder gave highest extractive value (37.3%) in methanol and showed the presence of various groups of secondary metabolites qualitatively while, quantitatively flavonoids (0.18 mg/g) was detected in highest amount. The above parameters, being reported for the first time and are significant toward establishing the microscopic and pharmacognostic standards for future identification and authentication of genuine herbal drug. Root micromorphology can be used as an additional tool to aid description and to distinguish many complex taxa and that is of significant value for the taxonomic assessment of this genera and species.
A causal flow approach for the evaluation of global climate models
Authors: Vázquez‐Patiño Angel , Campozano Lenin , Mendoza Daniel , Samaniego Esteban
Published: January 2020

Global climate models (GCMs) are generally used to forecast weather, understand the present climate, and project climate change. Their reliability usually rests on their capability to represent climatic processes, and most evaluations directly measure the spatiotemporal agreement of scalar climate variables. However, climate naturally involves complex interactions that are hard to infer and, therefore, difficult to evaluate. Climate networks (CNs) have been used to infer flows of mass and energy in the complex climate system. Here, an Evaluation of Models by Causal Flows (EMCaF) is proposed. EMCaF focuses on the assessment of properties about mass and energy flows in the CNs derived from GCMs. First, causal CNs are inferred from GCMs, and then the capabilities to reproduce characteristic transfer flows are assessed with reference models. A more in‐depth feature is the possibility to assess how climate change disturbs CNs properties. In addition to the quantitative difference between modelled and observed values taken into account in standard evaluations, the EMCaF approach aims to assess the weaknesses and strengths of GCMs to represent climate mechanisms and processes that couple different components of the climate system. The comparison of models through this approach allows having complimentary feedback on model evaluations to understand possible causes of errors and enable a judgement based on processes. The approach is illustrated by evaluating one GCM and subsequently assessing changes of its CNs under future climate projections. Results show that known climatic patterns are assimilated and that causal strength patterns are likely to agree with the wind magnitude as a transfer factor. Significative issues are then explored, showing the capabilities of the approach and allowing understand fundamental structures in transport flows, compare their properties, and assess changes in the future. Different alternatives and considerations in each step of the approach are discussed to expand its applicability.
Product architecture and product market internationalization: A conceptualization and extension
Authors: Burton Nicholas , Nyuur Richard , Amankwah‐Amoah Joseph , Sarpong David , O'Regan Nicholas
Published: January 2020

Designing a modular product architecture and corresponding organization design may enable firms to internationalize more effectively and efficiently. Open and closed, integrated, and modular product architectures may be associated with increasing product market and firm internationalization. We postulate that the more open and modular the product architecture, the easier product market internationalization becomes. We hypothesize that an open and modular product architecture may permit international product markets to become “components” within a strategy of “modular internationalization.”
Variation in flavonoids in a collection of peppers (Capsicum sp.) under organic and conventional cultivation: effect of the genotype, ripening stage, and growing system
Authors: Ribes‐Moya Ana M , Adalid Ana M , Raigón Maria D , Hellín Pilar , Fita Ana , Rodríguez‐Burruezo Adrián
Published: January 2020

BACKGROUND

In recent years, the acreage used for organic agriculture and the demand for organic fruit and vegetables have increased considerably. Given this scenario, landraces, such as Capsicum landraces, can provide valuable germplasm. Capsicum peppers are very interesting because of their high phenolic content, and particularly their flavonoid content, which provides a high added value. Moreover, the broad genetic diversity in local varieties expands the opportunities for adaptation to organic production and for exploiting genotype × environment interactions to select peppers with the highest phenolic content.

RESULTS

In this work, the main flavonoids of peppers were exhaustively evaluated over 2 years in a wide collection of heirlooms, both unripe and fully ripe, under organic and conventional cultivation. The genotype and ripening stage contributed to a high degree to the variation in flavonoids. The growing system influenced this variation to a lesser extent. Luteolin and quercetin showed the highest contributions to total phenolic content (70% and > 20%, respectively) at both ripening stages, while myricetin, apigenin, and kaempferol showed lower contributrions. The average flavonoid content was higher in ripe fruits, and organic management significantly increased the accumulation of total flavonoids and luteolin. Positive correlations between flavonoids were found at both ripening stages, especially between main flavonoids luteolin and quercetin and between kaempferol and quercetin (ρ > 0.7).

CONCLUSION

Genotype × environment interaction enabled the identification of accessions with high flavonoid content grown under organic conditions at both ripening stages, particularly total flavonoids and luteolin at the fully ripe stage. Our results reinforce the importance of a wide genetic variation and of considering different ripening stages and growing conditions for breeding high‐quality peppers. © 2020 Society of Chemical Industry
Liver resection as a component of en‐bloc multivisceral resection for upper abdominal tumors is associated with increased morbidity
Authors: Morris Paul David , Coker David , Crawford Michael , Yeo David , Sandroussi Charbel
Published: January 2020

Background and Methods

Complex en‐bloc multivisceral and oncovascular resections for upper abdominal tumors remain rare, but there is increasing interest in their role. We analyze complications and survival for these operations. We performed a retrospective cohort study of patients who underwent en‐bloc upper abdominal resections for tumors involving multiple organs. Primary outcomes were complications as per the Clavien‐Dindo Classification and Comprehensive Complication Index (CCI). Secondary outcome was overall survival (OS).

Results

We identified 60 consecutive patients who underwent resection from 2011 to 2018. Histopathology was heterogeneous, the most common being renal cell carcinoma. Eighteen patients had major complications. Mean (interquartile range) CCI was 29.6 (9.6‐43.9). Liver resection was significantly associated with an increased CCI and increased the odds of a major complication (odds ratio: 4.67, 95% confidence interval [CI]: 1.31‐16.59; P = .017). Charlson Comorbidity Score was significantly associated with the presence of at least one major complication. Mean OS was 47.1 months (95% CI: 37.6‐56.6).

Conclusion

In appropriately selected patients, and when undertaken in centers with appropriate subspecialist surgical teams and intensive care services, en‐bloc multivisceral resection of upper abdominal tumors is safe, but liver resection is associated with an increase in major complications.
Comparison of the active components of Aster tataricus from different regions and related processed products by ultra‐high performance liquid chromatography with tandem mass spectrometry
Authors: Ma Wenjuan , Yao Guangzhe , Huang Xuhua , Jia Qi , Shen Jiayuan , Chang Yanxu , Ouyang Huizi , He Jun
Published: January 2020

We investigated crude Aster tataricus, vinegar‐processed Aster tataricus, honey‐processed Aster tataricus, and steamed Aster tataricus as a case study and developed a comprehensive strategy integrating quantitative analysis and chemical pattern recognition methods for the evaluation and differentiation of Aster tataricus from different regions, as well as related processed products. In the study, 15 batches of raw Aster tataricus collected from seven provinces were analyzed. A sensitive and rapid ultra‐high performance liquid chromatography with tandem mass spectrometry method for simultaneous determination of 15 compounds was established to evaluate the quality of raw and processed Aster tataricus. Furthermore, multivariate statistical techniques were applied to compare the differences among Aster tataricus samples. As a result, the herbs collected from seven provinces were divided into two categories, and chlorogenic acid was the most important component distinguishing between the regions. Moreover, all of the raw and processed samples were classified by partial least squares discriminant analysis based on the 15 analyzed compounds. Results showed that raw Aster tataricus, vinegar‐processed Aster tataricus, honey‐processed Aster tataricus, and steamed Aster tataricus were clustered in four different areas. Shionone, chlorogenic acid and kaempferol were the significant constituents differentiating the raw and differently processed Aster tataricus samples.
Recent developments of monolithic and open‐tubular capillary electrochromatography (2017–2019)
Authors: Hu Lin‐Feng , Yin Shi‐Jun , Zhang Hao , Yang Feng‐Qing
Published: January 2020

Capillary electrochromatography, which combined the high selectivity of high‐performance liquid chromatography and the high separation efficiency of capillary electrophoresis, is an attractive separation tool. In this review, the developments on monolithic and open tubular capillary electrochromatography during 2017 to August 2019 are summarized. Considering the development of novel stationary phases is the most active research field in capillary electrochromatography, monolithic capillary electrochromatography is classified according to the polymer‐based and hybrid monolithic columns, while open‐tubular capillary electrochromatography is categorized by cyclodextrin, silica, polymer, nanomaterials, microporous materials, and biomaterials‐based open tubular columns.