bluuebunny/crossref_metadata_2025_split huggingface dataset:
Qualitative and quantitative determination of potassium aluminum sulfate dodecahydrate in potato starch based on terahertz spectroscopy
Authors: Liu Jianjun , Fan Lanlan 
Published: October 2019

AbstractTerahertz time‐domain spectroscopy (THz‐TDS) was used to study the additive potassium aluminum sulfate dodecahydrate (PASD) in potato starch. The terahertz time‐domain and frequency domain spectra of potato starch potato starch and PASD were obtained. The absorption coefficient spectrum and refractive index spectrum of the above two substances is calculated. The absorption coefficient spectrum shows that potassium aluminum sulfate dodecahydrate has obvious characteristic absorption peak in terahertz band. THz‐TDS technique can be used to identify the characteristics of potassium aluminum sulfate dodecahydrate in starch. Terahertz time‐domain spectra of potato starch doped with different percentage (mass fraction) potassium aluminum sulfate dodecahydrate were obtained. It was found that with the increase of the content of PASD, the amplitude of the absorption peak decreased and the refractive index decreased gradually, which indicated that THz‐TDS technique could be used for qualitative identification and quantitative detection of PASD in potato starch.
A framework linking ecosystem services and human well‐being: Saltmarsh as a case study
Authors: Rendón Olivia R. , Garbutt Angus , Skov Martin , Möller Iris , Alexander Meghan , Ballinger Rhoda , Wyles Kayleigh , Smith Greg , McKinley Emma , Griffin John , Thomas Merryn , Davidson Kate , Pagès Jordi F. , Read Simon , Beaumont Nicola 
Published: October 2019

Abstract

The ecosystem services approach is based on the interdependencies between nature and human well‐being. However, while the ecosystem services aspect of this approach is well‐developed, the human well‐being aspect remains unstructured and vaguely defined.

An integrated conceptual framework was developed by adapting and linking the UK National Ecosystem Assessment‐Follow On framework with human well‐being domains.

As well as benefits, the notion of disbenefits was incorporated to recognise the potentially detrimental effects from interacting with nature. Benefits and disbenefits occur at the social–ecological interface and are classified by the seven domains of human well‐being they affect.

The framework is applied to saltmarsh habitat as a case study, highlighting knowledge gaps and the potential applicability and usefulness of the framework. In saltmarsh, benefits mainly accrue at larger scales with a greater impact affecting local to global individuals, while disbenefits tend to occur at a smaller scale and impact in‐situ individuals.

The framework provides in‐depth insight into links, trade‐offs and dichotomies between benefits and disbenefits and human well‐being, and improves accessibility to the complex research area of human well‐being.

This research can be a useful tool to guide environmental and health policy and management, as well as stakeholder engagement.

A free Plain Language Summary can be found within the Supporting Information of this article.
SASBDB: Towards an automatically curated and validated repository for biological scattering data
Authors: Kikhney Alexey G. , Borges Clemente R. , Molodenskiy Dmitry S. , Jeffries Cy M. , Svergun Dmitri I. 
Published: October 2019

AbstractSmall‐angle scattering (SAS) of X‐rays and neutrons is a fundamental tool to study the nanostructural properties, and in particular, biological macromolecules in solution. In structural biology, SAS recently transformed from a specialization into a general technique leading to a dramatic increase in the number of publications reporting structural models. The growing amount of data recorded and published has led to an urgent need for a global SAS repository that includes both primary data and models. In response to this, a small‐angle scattering biological data bank (SASBDB) was designed in 2014 and is available for public access at www.sasbdb.org. SASBDB is a comprehensive, free and searchable repository of SAS experimental data and models deposited together with the relevant experimental conditions, sample details and instrument characteristics. SASBDB is rapidly growing, and presently has over 1,000 entries containing more than 1,600 models. We describe here the overall organization and procedures of SASBDB paying most attention to user‐relevant information during submission. Perspectives of further developments, in particular, with OneDep system of the Protein Data Bank, and also widening of SASBDB including new types of data/models are discussed.
Mosquito repellent thermal stability, permeability and air volatility
Authors: Mapossa António B , Sitoe Alcides , Focke Walter W , Izadi Homa , du Toit Elizabeth L , Androsch René , Sungkapreecha Chanita , van der Merwe Elizabet M 
Published: October 2019

AbstractBACKGROUNDThe effectiveness of mosquito repellents, whether applied topically on the skin or released from a wearable device, is determined by the evaporation rate. This is because a repellent has to be present in the form of a vapour in the vicinity of the exposed skin that needs protection. Therefore, gravimetric techniques were used to investigate the direct evaporation of selected liquid repellents, their permeation through polymer films, and their release from a microporous polyethylene matrix.RESULTSEvaporation of a repellent into quiescent air is determined by its air permeability. This is a product of the vapour pressure and the diffusion coefficient, i.e. . It was found that repellents could be ranked in terms of decreasing volatility as: ethyl anthranilate > citriodiol > dimethyl phthalate > N,N‐diethyl‐meta‐toluamide (DEET) > decanoic acid > ethyl butylacetylaminopropionate > Icaridin. Experimental SA values, at 50 °C, ranged from 0.015 ± 0.008 mPa m2 s−1 for the least volatile repellent (Icaridin) to 0.838 ± 0.077 mPa m2 s−1 for the most volatile (ethyl anthranilate). The release rate from microporous polyethylene strands, produced by extrusion‐compounding into ice water baths followed a similar ranking. These strands featured an integral skin‐like membrane that covered the extruded strands and controlled the release of the repellent at a low effective rate.CONCLUSIONThe high thermal and thermo‐oxidative stability together with the low volatility of the mosquito repellents ethyl butylacetylaminopropionate and Icaridin make them attractive candidates for long‐lasting wearable mosquito‐repellent devices. Such anklets/bracelets may have utility for outdoor protection against infective mosquito bites in malaria‐endemic regions. © 2019 Society of Chemical Industry
Prospective randomized controlled pilot study on the effects of almond consumption on skin lipids and wrinkles
Authors: Foolad Negar , Vaughn Alexandra R. , Rybak Iryna , Burney Waqas A. , Chodur Gwen M. , Newman John W. , Steinberg Francene M. , Sivamani Raja K. 
Published: October 2019

ObjectiveAlmonds are a rich source of fatty acids and antioxidants, and their supplementation is known to significantly modulate serum lipids. The effects of almond on the skin's lipid barrier and the appearance of wrinkles have not yet been elucidated. The aim of this study was to investigate the effects of almond consumption on facial sebum production and wrinkles.MethodsThis was a prospective, investigator‐blinded, randomized controlled trial in which subjects consumed 20% of their daily energy consumption in either almonds or a calorie‐matched snack for 16 weeks. This study was completed at the UC Davis Dermatology clinic. Participants were a volunteer sample of generally healthy postmenopausal females with Fitzpatrick skin types 1 and 2. A facial photograph and image analysis system was used to obtain standardized photographs and information on wrinkle width and severity at 0, 8, and 16 weeks. Measurements of transepidermal water loss and sebum production were also completed at 0, 8, and 16 weeks.ResultsFifty healthy postmenopausal females were recruited, 31 participants were enrolled, and 28 completed the study. Under photographic analysis, the almond group had significantly decreased wrinkle severity and width compared with the control group at 16 weeks (p< .02). Changes in skin barrier function were nonsignificant, measured by the transepidermal water loss (p= .65) between the almond and control groups relative to baseline after 16 weeks. No adverse effects were reported.ConclusionOur study demonstrates that daily almond consumption may reduce wrinkle severity in postmenopausal females to potentially have natural antiaging benefits.
Synthesis of 2‐Aryl‐12H‐benzothiazolo[2,3‐b]quinazolin‐12‐ones and Their Activity Against Monoamine Oxidases
Authors: Jafari Behzad , Jalil Saquib , Zaib Sumera , Iqbal Jamshed , Safarov Sayfidin , Khalikova Muattar , Isobaev Muzafar , Munshi Ali , Rahman Qamar , Ospanov Meirambek , Yelibayeva Nazym , Kelzhanova Nazken , Abilov Zharylkasyn A. , Turmukhanova Mirgul Z. , Kalugin Sergey N. , Ehlers Peter , Langer Peter 
Published: October 2019

AbstractBenzothiazoloquinazolines are known to possess several interesting biological properties. Various arylated benzothiazoloquinazolines were synthesized from readily available 2‐bromo‐12H‐benzothiazolo[2,3‐b]quinazolin‐12‐one by palladium catalysed Suzuki‐Miyaura reactions in 43 – 85% yield. Synthesized derivatives were analysed regarding their in vitro inhibition activity towards monoamine oxidases A and B and showed significant inhibitory values in the micromolar range. Molecular modelling as well as PAINS studies on the binding interaction of most potent inhibitors with both isoforms were studied to verify the experimental results.
Design, Synthesis and in vitro Controlled Release of New Adamantanodiarylketone Antimycobacterials
Authors: Vlachou Marilena , Papanastasiou Ioannis P. , Georgiadis Markos‐Orestis , Tsakoumagkou Argyro , Siskos Zacharias , Siamidi Angeliki , Konstantinou Anna , Vocat Anthony , Cole Stewart T. 
Published: October 2019

AbstractIn the present investigation, the synthesis, the biology and the development of matrix tablet formulations for the in vitro controlled release of new adamantane diarylketone antimycobacterial derivatives, is presented. In the skeleton of the new compounds, a diarylketone, functionalized by a 2‐hydroxypropylenoxy‐3‐butylamine, a 2‐hydroxypropylenoxy‐3‐hexylamine and a 1‐(2‐hydroxyoctyl)piperidin‐4‐yl moiety, is incorporated at the C‐1 adamantane position. The new derivatives were tested against the H37Rv Mycobacterium tuberculosis strain and exhibited satisfactory activity. In view of their lipophilic character, it was intriguing to examine their in vitro dissolution profile in buffer solutions simulating the gastric and intestinal environments. To this end, matrix tablets of the most active compound, {4‐[(adamantan‐1‐yl)phenyl‐4‐(3‐(butylamino)‐2‐hydroxypropoxy)]phenyl}methanone (A), incorporating the appropriate excipients, were prepared using the direct compression method. The preliminary test results show that its dissolution profile is in alignment with the desired pattern for the per os administration of tuberculocidal agents.
Reactions of 1‐(3,3‐Diethoxypropyl)urea with Phenols: Synthesis of 1,6‐Disubstituted Tetrahydropyrimidine‐2(1H)‐ones
Authors: Smolobochkin Andrey V. , Gazizov Almir S. , Voronina Julia K. , Strelnik Anna G. , Rizbayeva Tanzilya S. , Burilov Alexander R. , Pudovik Michail A. 
Published: October 2019

AbstractUreas containing alkyl aromatic fragments are an important class of organic compounds due to their high pharmacological activity. However, at the moment there is no common and simple method for the synthesis of these classes of compounds. Therefore, in the present work we propose a new approach to the synthesis of 1,6‐disubstituted tetrahydropyrimidine‐2(1H)‐ones via the acid‐catalyzed reaction of (3,3‐diethoxypropyl) urea with various phenols. The proposed approach allows to obtain target compounds in one‐pot manner and without the use of expensive reagents and catalysts.
2‐Mercapto Benzthiazole Coupled Benzyl Triazoles as New COX‐2 Inhibitors: Design, Synthesis, Biological Testing and Molecular Modeling Studies
Authors: Yatam Satyanarayana , Jadav Surender Singh , Gundla Krishna Prasadh , Paidikondala Kalyani , Ankireddy Ashok Reddy , Babu Bathini Nagendra , Ahsan Mohamed Jawed , Gundla Rambabu 
Published: October 2019

AbstractA series of 2‐mercapto benzothiazole linked with triazoles (3 a‐u) were designed based on our previous experimental evaluation of benzothiazole allied oxadiazoles and synthesized in two step starting from the 2‐mercaptan precursor. The structure of the benzothiazoles were confirmed by infrared (IR), nuclear magnetic resonance (NMR) and mass (LC–MS) spectral data. The insilico binding mode interpretations in both COX‐1/COX‐2 was investigated, their probable binding energies were predicted and ADMET properties were calculated. The molecular level interactions of the designed library indicated, the aryl ring united with triazole was occupying as mefenamic acid in COX‐2 active site. All the benzothiazoles 3 a‐u were evaluated for their COX inhibitory activities as per the standard protocol reported elsewhere. 2‐(((1‐(2‐chlorobenzyl)‐1H‐1,2,3‐triazol‐4‐yl)methyl)thio)benzo[d]thiazole 3 i, 4‐((4‐((benzo[d]thiazol‐2‐ylthio)methyl)‐1H‐1,2,3‐triazol‐1‐yl)methyl)benzoic acid 3 t and 4‐((4‐((benzo[d]thiazol‐2‐ylthio)methyl)‐1H‐1,2,3‐triazol‐1‐yl)methyl)benzamide 3 u based benzthiazoles showed the most significant COX‐2 inhibitory activity with an IC50 of 4.1, 4.3 and 5.4 μM respectively. The time dependant increase in inhibition of inflammation of above COX‐2 inhibitors in invivo anti‐inflammatory evaluation was noticed. Additionally, 2‐(((1‐(3‐fluorobenzyl)‐1H‐1,2,3‐triazol‐4‐yl)methyl)thio)benzo[d]thiazole 3 g expressed the significant DPPH scavenging activity with 80.45 percent inhibition at 100 μM and an IC50 of 27.8 μM. Furthermore, the 50 ns molecular dynamic simulations of 2‐(((1‐(2‐chlorobenzyl)‐1H‐1,2,3‐triazol‐4‐yl)methyl)thio)benzo[d]thiazole 3 i to interpret the constant residue interactions might liable for the COX selectivity was presented. Later, they also have been tested for cancer lines at NCI and obtained data were provided.
Design of an Immobilized Biohybrid Catalyst by Adsorption Interactions onto Magnetic Srebrodolskite Nanoparticles
Authors: Morales Andrés H. , Hero Johan S. , Navarro María C. , Farfán Elsa M. , Martínez María A. , Lamas Daniela L. , Gómez María I. , Romero Cintia M. 
Published: October 2019

AbstractIn this work, a novel nanobiocatalyst (L–Mcn4@Ca2Fe2O5) was synthesized from Bacillus lipase on srebrodolskite nanoparticles. Bacillus sp. MCn4 culture media was optimized reaching the maximum lipolytic activity using peptone 7.5 g/L and sucrose 5 g/L and Ca2Fe2O5, was synthesized and characterized (size of 100–150 nm). L–Mcn4@Ca2Fe2O5 was obtained by adsorption (12 U/mg oxide) and successfully characterized by different techniques. According to the best immobilization conditions, pH 4 and 100 Mm ionic strength, an adsorption model with two stages was proposed: initial interfacial activation followed by multi‐point electrostatic interactions. Stability studies showed an enhancement in its performance between 50 and 70 °C and against ethanol compared with free enzyme and the thermal decomposition process was softer when lipase was immobilized. The biocatalyst hydrolyzed fish oil showing enrichment in the PUFAs content with an increase on DHA of 1.2 fold showing a great potential for its use in the food industry.
Highly Electrochemically‐Reversible Mesoporous Na2FePO4F/C as Cathode Material for High‐Performance Sodium‐Ion Batteries
Authors: Zhang Jiexin , Zhou Xi , Wang Yunxiao , Qian Jiangfeng , Zhong Faping , Feng Xiangming , Chen Weihua , Ai Xinping , Yang Hanxi , Cao Yuliang 
Published: October 2019

AbstractAs promising cathode materials, iron‐based phosphate compounds have attracted wide attention for sodium‐ion batteries due to their low cost and safety. Among them, sodium iron fluorophosphate (Na2FePO4F) is widely noted due to its layered structure and high operating voltage compared with NaFePO4. Here, a mesoporous Na2FePO4F@C (M‐NFPF@C) composite derived from mesoporous FePO4 is synthesized through a facile ball‐milling combined calcination method. Benefiting from the mesoporous structure and highly conductive carbon, the M‐NFPF@C material exhibits a high reversible capacity of 114 mAh g−1 at 0.1 C, excellent rate capability (42 mAh g−1 at 10 C), and good cycling performance (55% retention after 600 cycles at 5 C). The high plateau capacity obtained (>90% of total capacity) not only shows high electrochemical reversibility of the as‐prepared M‐NFPF@C but also provides high energy density, which mainly originates from its mesoporous structure derived from the mesoporous FePO4 precursor. The M‐NFPF@C serves as a promising cathode material with high performance and low cost for sodium‐ion batteries.
Interfacial Bridge Using a cis‐Fulleropyrrolidine for Efficient Planar Perovskite Solar Cells with Enhanced Stability
Authors: Tian Chengbo , Lin Kebin , Lu Jianxun , Feng Wenjing , Song Peiquan , Xie Liqiang , Wei Zhanhua 
Published: October 2019

AbstractFullerene derivatives, especially after purposely functionalization, have potential to efficiently passivate interfacial defects between perovskites and electron transport layers. In this work, a fullerene derivative with amine functional group, 2,5‐diphenyl C60 fulleropyrrolidine (DPC60), is synthesized and employed as an interfacial layer between a perovskite and SnO2 in planar perovskite solar cells (PSCs). The cis‐configuration and the specific amine group of DPC60 effectively enhance the chemical interaction between the perovskite and DPC60, promoting the passivation of perovskite defects at the interface. The suitable energy level of DPC60 and the improved conductivity of the SnO2/DPC60 film facilitate the electron extraction from the perovskite layer. As a result, PSCs incorporated with DPC60 reach a PCE of 20.4% with high reproducibility, which is much higher than that of the bare SnO2 based devices (18.8%). Furthermore, the hydrophobic DPC60 layer suppresses heterogeneous nucleation and improves the crystallinity of the perovskite film, resulting in better device stability, retaining 82% of its initial efficiency after 200 h of 1 sun continuous irradiation and thermal ageing (55 ± 5 °C).
Gut Microbiota in Neurological Disorders
Authors: Grochowska Marta , Laskus Tomasz , Radkowski Marek 
Published: October 2019

AbstractThe incidence of neurological disorders such as multiple sclerosis (MS), Alzheimer’s disease (AD) and Parkinson’s disease (PD) is increasing throughout the world, but their pathogenesis remains unclear and successful treatment remains elusive. Bidirectional communications between the central nervous system and gut microbiota may play some role in the pathogenesis of the above disorders. Up to a thousand bacterial species reside in human intestine; they colonize the gut shortly after birth and remain for life. Numerous studies point to the role of microbiota composition in the development, course and treatment of MS, AD and PD.
Pore-scale simulation of water/oil displacement in a water-wet channel
Authors: Zhao Jin , Yao Guice , Wen Dongsheng 
Published: October 2019

Abstract
Water/oil flow characteristics in a water-wet capillary were simulated at the pore scale to increase our understanding on immiscible flow and enhanced oil recovery. Volume of fluid method was used to capture the interface between oil and water and a pore-throat connecting structure was established to investigate the effects of viscosity, interfacial tension (IFT) and capillary number (Ca). The results show that during a water displacement process, an initial continuous oil phase can be snapped off in the water-wet pore due to the capillary effect. By altering the viscosity of the displacing fluid and the IFT between the wetting and non-wetting phases, the snapped-off phenomenon can be eliminated or reduced during the displacement. A stable displacement can be obtained under high Ca number conditions. Different displacement effects can be obtained at the same Ca number due to its significant influence on the flow state, i.e., snapped-off flow, transient flow and stable flow, and ultralow IFT alone would not ensure a very high recovery rate due to the fingering flow occurrence. A flow chart relating flow states and the corresponding oil recovery factor is established.
Testosterone and Fathers’ Parenting Unraveled: Links with the Quantity and Quality of Father-Child Interactions
Authors: de Vries Else E. , van der Pol Lotte D. , Vermeer Harriet J. , Groeneveld Marleen G. , Fiers Tom , Mesman Judi 
Published: October 2019

Abstract

Objective
Individual differences in quality of father involvement in caregiving might in part be explained by fathers’ testosterone (T) levels. We examined the links between fathers’ (n = 32) salivary T levels, amount of time spent with their child (12–30 months of age), type of father-child interaction, and fathers’ sensitivity.

Methods
During two home visits, video observations of father-child interactions were conducted to measure fathers’ sensitivity during a challenging and harmonious interaction. Fathers’ saliva was collected several times throughout the day on a working day and on the home visit days, including right before and after each father-child interaction.

Results
Fathers’ T secretion throughout the day was lower on home visit days (i.e., days with a higher amount of time spent with their child) than on a working day. For both challenging and harmonious father-child interactions, mean T levels did not differ before and after father-child interactions. However, individual changes in fathers’ T levels during the father-child interactions did predict fathers’ sensitivity. Specifically, the more T increased during the challenging interaction, or decreased during the harmonious interaction, the more sensitive the father was during that interaction as well as during a subsequent interaction.

Conclusions
Parenting quality is most optimal when fathers’ T system reacts in the expected direction given the context of the father-child interaction, i.e., a T decrease during a harmonious interaction and a T increase during a challenging interaction. Our study underscores the importance of examining the interplay between biology, behavior, and caregiving context in fathers’ parenting.
Openness in Big Data and Data Repositories
Authors: Xafis Vicki , Labude Markus K. 
Published: October 2019

Abstract
There is a growing expectation, or even requirement, for researchers to deposit a variety of research data in data repositories as a condition of funding or publication. This expectation recognizes the enormous benefits of data collected and created for research purposes being made available for secondary uses, as open science gains increasing support. This is particularly so in the context of big data, especially where health data is involved. There are, however, also challenges relating to the collection, storage, and re-use of research data. This paper gives a brief overview of the landscape of data sharing via data repositories and discusses some of the key ethical issues raised by the sharing of health-related research data, including expectations of privacy and confidentiality, the transparency of repository governance structures, access restrictions, as well as data ownership and the fair attribution of credit. To consider these issues and the values that are pertinent, the paper applies the deliberative balancing approach articulated in the Ethics Framework for Big Data in Health and Research (Xafis et al. 2019) to the domain of Openness in Big Data and Data Repositories. Please refer to that article for more information on how this framework is to be used, including a full explanation of the key values involved and the balancing approach used in the case study at the end.