bluuebunny/crossref_metadata_2025 huggingface dataset:
An Oxidation‐Enhanced Magnetic Resonance Imaging Probe for Visual and Specific Detection of Singlet Oxygen Generated in Photodynamic Cancer Therapy In Vivo
Authors: Deng Kai , Wu Bo , Wang Cai‐Xia , Wang Qian , Yu Hui , Li Jia‐Mi , Li Kun‐Heng , Zhao Hong‐Yang , Huang Shi‐Wen
Published: June 2020

Singlet oxygen is regarded as the primary cytotoxic agent in cancer photodynamic therapy (PDT). Despite the advances in optical methods to image singlet oxygen, it remains a challenge for in vivo application due to the limited tissue penetration depth of light. Up to date, no singlet oxygen‐specific magnetic resonance imaging (MRI) probe has been reported. Herein, a T2‐weighted MRI probe is reported to visually detect singlet oxygen generated in PDT in vitro and in vivo. The MRI probe Ce6/Fe3O4‐M is constructed by co‐encapsulation of photosensitizer Ce6 and Fe3O4 nanoparticles in mPEG2000‐TK‐C16 micelles. Thioketal (TK) linker in the probe is highly sensitive to singlet oxygen, but lowly sensitive to other reactive oxygen species (ROS) existing in physiological and pathological environments. Singlet oxygen, generated with light irradiation, triggers the cleavage of TK, which leads to loss of surface polyethylene glycol, increment of the hydrophobicity, and aggregation of Fe3O4 nanoparticles. Subsequently, negatively enhanced T2‐weighted MRI signal is obtained for visual detection of singlet oxygen in the solution, cancer cells, and in vivo. This oxidation responsive MRI probe is expected to hold great promise in evaluating the ability of photosensitizers to generate singlet oxygen and in predicting the therapeutic efficacies of PDT in vivo.
The relative efficacy of the cranium and os coxa for taxonomic assessment in macaques
Authors: Kenyon‐Flatt Brittany , Conaway Mark A. , Lycett Stephen J. , von Cramon‐Taubadel Noreen
Published: June 2020

Objectives

The cranium is generally considered more reliable than the postcranium for assessing primate taxonomy, although recent research suggests that pelvic shape may be equally reliable. However, little research has focused on intrageneric taxonomic discrimination. Here, we test the relative taxonomic efficacy of the cranium and os coxa for differentiating two macaque species, with and without considering sexual dimorphism.

Materials and methods

Geometric morphometric analyses were performed on cranial and os coxa landmarks for 119 adult Macaca fascicularis, M. mulatta, and Chlorocebus pygerythrus. Among‐group shape variation was examined using canonical variates analyses. Cross‐validated discriminant function analysis provided rates of correct group classification. Additionally, average morphological distances were compared with neutral genetic distances.

Results

Macaque species were clearly differentiated, both cranially and pelvically, when sex was not considered. Males were more often correctly classified based on the os coxa, while female classification rates were high for both morphologies. Female crania and male os coxa were differentiated approximately the same as genetic distance, while male crania were more similar (convergent), and female os coxa were more divergent than expected based on genetic distance.

Discussion

The hypothesis that cranial and os coxal shape can be used to discriminate among macaque species was supported. The cranium was better at differentiating females, while the os coxa was better at differentiating male macaques. Hence, there is no a priori reason for preferring the cranium when assessing intragenetic taxonomic relationships, but the effects of high levels of sexual dimorphism must be corrected for to accurately assess taxonomic signatures.
Interfacial Evolution of Lithium Dendrites and Their Solid Electrolyte Interphase Shells of Quasi‐Solid‐State Lithium‐Metal Batteries
Authors: Shi Yang , Wan Jing , Liu Gui‐Xian , Zuo Tong‐Tong , Song Yue‐Xian , Liu Bing , Guo Yu‐Guo , Wen Rui , Wan Li‐Jun
Published: June 2020

Unstable electrode/solid‐state electrolyte interfaces and internal lithium dendrite penetration hamper the applications of solid‐state lithium‐metal batteries (SSLMBs), and the underlying mechanisms are not well understood. Herein, in situ optical microscopy provides insights into the lithium plating/stripping processes in a gel polymer electrolyte and reveals its dynamic evolution. Spherical lithium deposits evolve into moss‐like and branch‐shaped lithium dendrites with increasing current densities. Remarkably, the on‐site‐formed solid electrolyte interphase (SEI) shell on the lithium dendrite is distinctly captured after lithium stripping. Inducing an on‐site‐formed SEI shell with an enhanced modulus to wrap the lithium precipitation densely and uniformly can regulate dendrite‐free behaviors. An in‐depth understanding of lithium dendrite evolution and its functional SEI shell will aid in the optimization of SSLMBs.
Light Dynamics of the Retinal‐Disease‐Relevant G90D Bovine Rhodopsin Mutant
Authors: Kubatova Nina , Mao Jiafei , Eckert Carl Elias , Saxena Krishna , Gande Santosh L. , Wachtveitl Josef , Glaubitz Clemens , Schwalbe Harald
Published: June 2020

The RHO gene encodes the G‐protein‐coupled receptor (GPCR) rhodopsin. Numerous mutations associated with impaired visual cycle have been reported; the G90D mutation leads to a constitutively active mutant form of rhodopsin that causes CSNB disease. We report on the structural investigation of the retinal configuration and conformation in the binding pocket in the dark and light‐activated state by solution and MAS‐NMR spectroscopy. We found two long‐lived dark states for the G90D mutant with the 11‐cis retinal bound as Schiff base in both populations. The second minor population in the dark state is attributed to a slight shift in conformation of the covalently bound 11‐cis retinal caused by the mutation‐induced distortion on the salt bridge formation in the binding pocket. Time‐resolved UV/Vis spectroscopy was used to monitor the functional dynamics of the G90D mutant rhodopsin for all relevant time scales of the photocycle. The G90D mutant retains its conformational heterogeneity during the photocycle.
Tighter Confinement Increases Selectivity of d‐Glucose Isomerization Toward l‐Sorbose in Titanium Zeolites
Authors: Cordon Michael J. , Vega‐Vila Juan Carlos , Casper Alyssa , Huang Zige , Gounder Rajamani
Published: June 2020

Aqueous‐phase isomerization of d‐glucose to d‐fructose and l‐sorbose is catalyzed in parallel by Lewis acidic Ti sites in siliceous frameworks. Glucose isomerization rates (per Ti, 373 K) are undetectable when Ti sites are confined within mesoporous voids (Ti‐MCM‐41, TiO2‐SiO2) and increase to detectable values when Ti sites are confined within the smaller 12‐membered ring (12‐MR) micropores of Ti‐Beta. Isomerization rates decrease to lower values (by ≈20×) with further decreases in micropore size as Ti sites are confined within 10‐MR pores (Ti‐MFI, Ti‐CON), likely because of intrapore reactant diffusion restrictions, and reach undetectable values within the 8‐MR pores of Ti‐CHA as size exclusion prevents glucose from accessing active sites. Remarkably, the selectivity toward l‐sorbose over d‐fructose increases systematically as spatial constraints around Ti sites become tighter, and is >10 on Ti‐MFI. These findings demonstrate the marked influence of confinement around Ti active sites on the selectivity between parallel stereoselective sugar isomerization pathways.
Synthesis and Structure of Functionalized Zigzag Hydrocarbon Belts
Authors: Zhang Yang , Tong Shuo , Wang Mei‐Xiang
Published: June 2020

Described in this paper are the synthesis and structure of novel and edge‐functionalized zigzag hydrocarbon belts. A stepwise “fjord‐stitching” strategy featuring repetitive intramolecular acylation reactions of a resorcin[4]arene derivative as the key steps afforded a biscarbonyl‐functionalized octahydrobelt[8]arene product. Facile ketone reduction with NaBH4 and nucleophilic addition with n‐butyllithium produced secondary and tertiary alcohol‐containing molecular belts, respectively. Selective oxidation reactions of biscarbonyl‐bearing octahydrobelt[8]arene with m‐CPBA and (PhSeO)2O furnished the corresponding lactone‐ and 1,4‐quinone‐embedded molecular belts. Depending on the functional groups on the edges, the acquired belt molecules adopt different shapes such as square prism, truncated cone, and elliptical cylinder.
Synthesis of a Gold–Metal Oxide Core–Satellite Nanostructure for In Situ SERS Study of CuO‐Catalyzed Photooxidation
Authors: Zhang Kaifu , Yang Ling , Hu Yanfang , Fan Chenghao , Zhao Yaran , Bai Lu , Li Yonglong , Shi Faxing , Liu Jun , Xie Wei
Published: June 2020

This work reports on an assembling–calcining method for preparing gold–metal oxide core–satellite nanostructures, which enable surface‐enhanced Raman spectroscopic detection of chemical reactions on metal oxide nanoparticles. By using the nanostructure, we study the photooxidation of Si−H catalyzed by CuO nanoparticles. As evidenced by the in situ spectroscopic results, oxygen vacancies of CuO are found to be very active sites for oxygen activation, and hydroxide radicals (*OH) adsorbed at the catalytic sites are likely to be the reactive intermediates that trigger the conversion from silanes into the corresponding silanols. According to our finding, oxygen vacancy‐rich CuO catalysts are confirmed to be of both high activity and selectivity in photooxidation of various silanes.
Micro‐Lensed Fiber Laser Desorption Mass Spectrometry Imaging Reveals Subcellular Distribution of Drugs within Single Cells
Authors: Meng Yifan , Cheng Xiaoling , Wang Tongtong , Hang Wei , Li Xiaoping , Nie Wan , Liu Rong , Lin Zheng , Hang Le , Yin Zhibin , Zhang Baolin , Yan Xiaomei
Published: June 2020

The visualization of temporal and spatial changes in the intracellular environment has great significance for chemistry and bioscience research. Mass spectrometry imaging (MSI) plays an important role because of its unique advantages, such as being label‐free and high throughput, yet it is a challenge for laser‐based techniques due to limited lateral resolution. Here, we develop a simple, reliable, and economic nanoscale MSI approach by introducing desorption laser with a micro‐lensed fiber. Using this integrated platform, we achieved 300 nm resolution MSI and successfully visualized the distribution of various small‐molecule drugs in subcellular locations. Exhaustive dynamic processes of anticancer drugs, including releasing from nanoparticle carriers entering nucleus of cells, can be readily acquired on an organelle scale. Considering the simplicity and universality of this nanoscale desorption device, it could be easily adapted to most of laser‐based mass spectrometry applications.
Ultrafast Encapsulation of Metal Nanoclusters into MFI Zeolite in the Course of Its Crystallization: Catalytic Application for Propane Dehydrogenation
Authors: Zhu Jie , Osuga Ryota , Ishikawa Ryo , Shibata Naoya , Ikuhara Yuichi , Kondo Junko N. , Ogura Masaru , Yu Jihong , Wakihara Toru , Liu Zhendong , Okubo Tatsuya
Published: June 2020

Encapsulating metal nanoclusters into zeolites combines the superior catalytic activity of the nanoclusters with high stability and unique shape selectivity of the crystalline microporous materials. The preparation of such bifunctional catalysts, however, is often restricted by the mismatching in time scale between the fast formation of nanoclusters and the slow crystallization of zeolites. We herein demonstrate a novel strategy to overcome the mismatching issue, in which the crystallization of zeolites is expedited so as to synchronize it with the rapid formation of nanoclusters. The concept was demonstrated by confining Pt and Sn nanoclusters into a ZSM‐5 (MFI) zeolite in the course of its crystallization, leading to an ultrafast, in situ encapsulation within just 5 min. The Pt/Sn‐ZSM‐5 exhibited exceptional activity and selectivity with stability in the dehydrogenation of propane to propene. This method of ultrafast encapsulation opens up a new avenue for designing and synthesizing composite zeolitic materials with structural and compositional complexity.
Metal complexes of tetradentate azo‐dye ligand derived from 4,4′‐oxydianiline: Preparation, structural investigation, biological evaluation and MOE studies
Authors: Deghadi Reem G. , Mahmoud Walaa H. , Mohamed Gehad G.
Published: June 2020

The Cr (III), Mn (II), Fe (III), Co (II), Ni (II), Cu (II) and Cd (II) complexes were prepared by reaction of its metal chlorides with new azo‐dye ligand (H2L). The ligand derived from 4,4′‐oxydianiline and 2‐amino‐4‐chlorophenol was synthesized in a 1:2 molar ratio. The structure of the ligand and its metal complexes was investigated using different tools such as elemental analysis (C, H, N and M), molar conductivity, IR, UV–vis,1H‐NMR, mass spectrometry and thermogravimetric and differential thermogravimetric studies. The data showed that the ligand acted as aN,N,O,O‐binegative tetradentate ligand. All metal complexes had a octahedral structure as depicted by spectral and elemental analyses. The conductivity data showed the electrolytic nature of the Cr (III) and Fe (III) complexes while the other complexes were nonelectrolytes. Thermal analysis studies showed the decomposition of the complexes in four to five steps with the weight loss of hydrated water in the first decomposition step followed by the coordinated water and ligand molecules. Biological activity was tested for the prepared compounds against four bacterial species (Bacillus subtilis,Staphylococcus aureus,Escherichia coliandPseudomonas aeruginosa) and against two fungal species (Aspergillus fumigatusandCandida albicans). Also, all complexes were screened for anticancer activities against a breast cancer (MCF‐7) cell line. The [Co(L)(H2O)2] complex showed the lowest IC50value. Molecular docking is a key tool in computer drug design. Therefore, investigation of protein receptors and ligand interaction plays a vital role in the design of structurally based drugs. As a result, docking studies were investigated for H2L ligand, [Mn(L)(H2O)2] and [Ni(L)(H2O)2] complexes with 5KBC, 3V7B and 4G9M receptors.
Structure and stability analyses of collagen hydrolysate coacervates triggered by ethanol in aqueous solution
Authors: Li Zhijie , Liu Jie , Zhang Luan , Xiao Yuelong , Tang Keyong , Zheng Xuejing , Pei Ying
Published: June 2020

The coacervation of collagen hydrolysate (CH) in aqueous solution was triggered by ethanol as poor solvent which has a significant effect on the aggregation and rearrangement of CH macromolecules. In this work, the static coacervation was performed to investigate the influences on coacervates morphology. CH concentration and ethanol temperature had significant influences on coacervates morphology. Treatment for the CH solution of high concentration by lower temperature ethanol (<25°C) tended to form the microspheres morphology. High temperature ethanol was not conducive to CH coacervation, while enhanced the CH solubilization in water‐ethanol. By directly mixing CH solution and ethanol under agitation, dispersed nanospheres could be successfully obtained in suspension. The turbidity and absorbance tests were carried out to further study the CH coacervation behaviors. The stability of milky suspension induced by ethanol was evaluated by a self‐built light transmittance measurement. The result showed that the absorbance and turbidity of CH suspension increased with increasing the VEtOH ratio and CH concentration. The milky suspension with high VEtOH would turn clear gradually due to the CH solubilization in water–alcohol. The maximum absorbance presented at pH around 7 where the charges of CH molecules were negative. The coacervation behaviors of CH were very different from that of collagen and gelatin, owing to its lower molecular weight.
A collaborative two‐stage examination in biomedical sciences: Positive impact on feedback and peer collaboration
Authors: Khong Mei Li , Tanner Julian A.
Published: June 2020

Examinations present an intensely focused opportunity for student learning yet opportunities for collaboration, communication, and feedbacks are often wasted. Two‐stage examinations where students first take examinations individually and then repeat the examination in small groups hold promise to address this issue. Here, we pilot and evaluate a two‐stage examination within an advanced undergraduate biomedical sciences course. We evaluated this innovation by triangulation of data from a questionnaire, semi‐structured student interviews, as well as, comparison of student grades between stages of examination across higher‐ and lower‐performing student groups. Quantitative data from the structured questionnaire showed that a majority of students perceived the collaborative stage of two‐stage examinations successful in promoting peer collaboration and communication. Furthermore, there was deepened conceptual understanding and provision of immediate feedback. The two‐stage examination did not, however, ameliorate students' test anxiety. Qualitative data from semi‐structured student interviews were consistent with quantitative data to show that a two‐stage examination provides positive impact particularly on immediate feedback, peer collaboration and communication but contributed to sustained test anxiety possibly due to negative experiences during group interactions. Both lower‐ and higher‐performing students showed improvement in the collaborative stage as compared to the preceding individual stage of two‐stage examination. This would suggest possible benefits of two‐stage examination for learning for all student abilities. This study discusses the advantages and pitfalls of two‐stage examinations for biomedical sciences and will guide informed recommendations for subsequent implementation elsewhere.
Virtual laboratory lessons in enzymology
Authors: Quesada Víctor
Published: June 2020

The recent COVID‐19 pandemic has led to widespread lock‐down strategies that force universities to perform all educational activities remotely. In this context, laboratory lessons pose a significant challenge. Here, I present an on‐line tool that simulates the kinetics of chemical reactions. Enzymatic mechanisms can be easily modeled and followed through time. In addition, professors can customize the interface to hide the reaction mechanism. This setting will force students to design virtual experiments to uncover the mechanism and obtain the relevant enzymatic parameters. While some of the skills developed in a practical lesson cannot be simulated, this tool can be used to teach students important concepts about data acquisition and processing.
Development of a small‐scale rotary lobe‐pump cell culture model for examining cell damage in large‐scale N‐1 seed perfusion process
Authors: Johnstone Patrick , Mast Elena , Hughes Erik , Peng Haofan
Published: June 2020

Perfusion technology has been identified as a process improvement capable of eliminating some of the constraints in cell culture and allows for high cell densities and viabilities. However, when implementing this N‐1 seed perfusion platform in large‐scale manufacturing, unexpected cell damage was observed as early as Day 1. Given that the shear rate within recirculation hollow fibers was normalized and aligned correctly across bench, pilot, and manufacture scale, the primary mitigation was placed on the rotary lobe pump. Lowering the pump rate in manufacture scale successfully alleviated the cell damage. To understand the source of cell damage within the pump, a small‐scale rotary lobe‐pump robustness model was developed. Testing different pump flow rates and back pressures, it was concluded that high back pressure can cause cell damage. The back pressure within the system can cause back flow and high shear within small clearances inside the pump, which lead to the primary cell damage observed at a large scale. This shear level can be significantly higher than the shear in the hollow fiber. This pump robustness model can be utilized to aid the perfusion skid design, including pump operation efficiency and cell shear sensitivity. Methods to reduce the back pressure and cell shearing were determined to better predict manufacturing performance in the future.
Single‐access during Impella hemodynamic support utilizing the Railway system
Authors: Whitbeck Matthew G. , Chambers Jeffrey W.
Published: June 2020

A single‐access technique during mechanical circulatory support (MCS) and percutaneous coronary intervention (PCI) has been described for those patients where an additional arterial access site is not available or desired. This technique utilizes the Impella (Abiomed, Danvers, MA) 14 French (F) sheath as a single‐access point, with a 7 F sheath through the 14 F sheath hemostatic valve next to the Impella catheter (Abiomed). However, this technique is limited to a 7 F sheath or smaller and can be difficult requiring multiple attempts and limit guide catheter manipulation. We describe a single‐access technique utilizing the Impella (Abiomed) 14 F sheath and a standard 7 F guide catheter placed sheathless through the 14 F sheath hemostatic valve utilizing the Railway Sheathless Access System (Cortis, Santa Clara, CA).
SAPIEN S3 valve deployment in the pulmonary position using the gore DrySeal sheath to protect the tricuspid valve
Authors: Stapleton Gary E. , Gowda Srinath T , Bansal Manish , Khan Asra , Qureshi Athar M , Justino Henri
Published: June 2020

Background

Tricuspid valve injury can occur during implantation of a SAPIEN valve in the pulmonary position. We describe our experience using a long Gore DrySeal (GDS) sheath to protect the tricuspid valve during advancement of the Commander delivery system.

Methods

Retrospective single center review of all patients who underwent placement of a SAPIEN valve in the right ventricular outflow tract between January 2016 and April 2020. Patients were divided into two groups: delivery of the valve using standard technique (Group I), and with the use of a GDS (Group II), for comparison.

Results

There were 48 patients in total: 25 in Group I and 23 in Group II. In Group II, the first 10 patients had a 29 mm S3 placed through a 26 French (Fr), 65 cm GDS. We then performed additional crimping of the S3 onto the balloon after the balloon catheter was withdrawn to position the valve on the balloon outside the body. Subsequently, seven had a 29 mm S3 placed through a 24 Fr GDS, and four had a 26 mm S3 placed through a 22 Fr GDS including one weighing 16 kg. Two had a 23 mm S3 placed through a 22Fr GDS as the 20Fr GDS was not available in our lab. Severe tricuspid valve injury occurred in 2/25 (8%) of Group I patients and 0/23 of Group II patients.

Conclusion

Use of a long GDS may protect the tricuspid valve from injury during implantation of the S3 valve in the pulmonary position, and is technically feasible in smaller patients.
Facet‐dependent Chlorine and Oxygen Evolution Selectivity on RuO2: An Ab initio Atomistic Thermodynamic Study
Authors: Saha Sulay , Gayen Pralay , Ramani Vijay K.
Published: June 2020

The chlorine evolution reaction (CER) and oxygen evolution reaction (OER) occur simultaneously due to the low difference (0.13 V) in their standard potentials. RuO2 is the state‐of‐art electrocatalyst used for both OER and CER. The activity and selectivity of different RuO2 low‐index facets, namely (100), (110), (111), (001) and (101), are investigated through ab‐initio density functional theory (DFT) based calculations. The selectivity of different facets is explored in a mixed OER‐CER region by combining Pourbaix diagrams and linear scaling relationships. The difference in limiting overpotential of OER and CER is identified as the selectivity descriptor (SDCER). The most CER‐ and OER‐selective facets are found to be (101) (SDCER=0.39 V) and (001) (SDCER=0.14 V), respectively. The understanding of facet dependent CER selectivity in RuO2 can be extended as a design strategy to modulate OER and CER activity and selectivity as per design requirements.
Heteroarene‐tethered Functionalized Alkyne Metamorphosis
Authors: Bag Debojyoti , Sawant Sanghapal D.
Published: June 2020

Heteroarene‐tethered functionalized alkynes are multipotent synthons in organic chemistry. This detailed Review described herein offers a thorough discussion of the metamorphosis of heteroarene‐tethered functionalized alkynes, an area which has earned much attention over the past decade in the straightforward synthesis of architecturally complex heterocyclic scaffolds in atom and step economic manner. Depending upon the variety of functionalized alkynes, this Review is divided into multiple sections. Amongst the vast array of synthetic transformations covered, dearomatizing spirocyclizations and cascade spirocyclization/rearrangement are of great interest. Synthetic transformations involving the heteroarene‐tethered functionalized alkynes with scope, challenges, limitations, mechanism, their application in the total synthesis of natural products and future perceptions are surveyed.
Easy Access to Phosphine‐Borane Building Blocks
Authors: de Jong G. Bas , Ortega Nuria , Lutz Martin , Lammertsma Koop , Slootweg J. Chris
Published: June 2020

In this paper, we highlight the synthesis of a variety of primary phosphine‐boranes (RPH2⋅BH3) from the corresponding dichlorophosphines, simply by using Li[BH4] as reductant and provider of the BH3 protecting group. The method offers facile access not only to alkyl‐ and arylphosphine‐boranes, but also to aminophosphine‐boranes (R2NPH2⋅BH3) that are convenient building blocks but without the protecting BH3 moiety thermally labile and notoriously difficult to handle. The borane‐protected primary phosphines can be doubly deprotonated using n‐butyllithium to provide soluble phosphanediides Li2[RP⋅BH3] of which the phenyl‐derivative Li2[PhP⋅BH3] was structurally characterized in the solid state.
Disulfide Bond Replacement with 1,4‐ and 1,5‐Disubstituted [1,2,3]‐Triazole on C‐X‐C Chemokine Receptor Type 4 (CXCR4) Peptide Ligands: Small Changes that Make Big Differences
Authors: Tomassi Stefano , Trotta Anna Maria , Ieranò Caterina , Merlino Francesco , Messere Anna , Rea Giuseppina , Santoro Federica , Brancaccio Diego , Carotenuto Alfonso , D'Amore Vincenzo Maria , Di Leva Francesco Saverio , Novellino Ettore , Cosconati Sandro , Marinelli Luciana , Scala Stefania , Di Maro Salvatore
Published: June 2020

Here we investigated the structural and biological effects ensuing from the disulfide bond replacement of a potent and selective C‐X‐C chemokine receptor type 4 (CXCR4) peptide antagonist, with 1,4‐ and 1,5‐ disubstituted 1,2,3‐triazole moieties. Both strategies produced candidates that showed high affinity and selectivity against CXCR4. Notably, when assessed for their ability to modulate the CXCL12‐mediated cell migration, the 1,4‐triazole variant conserved the antagonistic effect in the low‐mid nanomolar range, while the 1,5‐triazole one displayed the ability to activate the migration, becoming the first in class low‐molecular‐weight CXCR4 peptide agonist. By combining NMR and computational studies, we provided a valuable model that highlighted differences in the interactions of the two peptidomimetics with the receptor that could account for their different functional profile. Finally, we envisage that our findings could be translated to different GPCR‐interacting peptides for the pursuit of novel chemical probes that could assist in dissecting the complex puzzle of this fundamental class of transmembrane receptors.
High‐performance photocatalysts for the selective oxidation of alcohols to carbonyl compounds
Authors: Rangarajan Goutham , Yan Ning , Farnood Ramin
Published: June 2020

With an increase in awareness about the need for green chemistry, there is a shift in focus towards identifying eco‐compatible technologies that can improve product yield and eliminate the use or generation of hazardous compounds. An immediate practical example of such an approach is the development of sustainable methods for alcohol oxidation as alternatives to the current processes that are energy intensive and rely on ecotoxic chemicals. In this regard, heterogeneous photocatalysis has been identified as a robust technique to catalyze reactions under benign conditions, which would otherwise require harsh synthesis routes. With the advent of materials sciences and nanotechnology, there has been a tremendous increase in the scope of applicability of photocatalysis in fine chemicals synthesis. Though an attractive choice, much of the fundamental information pertaining to catalyst activity, selectivity and reaction conditions for optimum conversion are still to be investigated for most of these systems. To this end, this review will encompass recent achievements in the selective photocatalytic oxidation of alcohols by harnessing solar radiation as a viable source of energy. The discussion will be arranged based on common types of photocatalysts reported in literature, namely metal oxides (eg, TiO2 and ZnO, Nb2O5), sulphides (eg, CdS, CuS, and Bi2S3), and carbonaceous photocatalysts (eg, g‐C3N4). Several such candidates for photocatalysts will be discussed critically with the aim of providing useful insight into developing selective photocatalysts that can oxidize alcohols via eco‐friendly pathways along with high yields.
Retracted: Target tracking and risk avoidance system for intelligent driving system based on 5G signal anomaly detection
Authors: Lan Wenkui
Published: June 2020

The above article, published online on 29 June 2020 on Wiley Online Library (https://onlinelibrary.wiley.com/doi/full/10.1002/dac.4518) has been retracted by agreement between the journal Editor‐in‐Chief, Mohammad Obaidat and John Wiley & Sons Ltd. The retraction has been agreed following an investigation based on allegations raised by a third party. It found that the article contains inconsistencies including irrelevant citations and was not reviewed in line with the journal’s peer review standards. The editorial office did not receive a response from the authors, and so requested underlying experimental data was not available for evaluation. Therefore, the article’s conclusions must be considered insufficiently supported.
Evaluating the effect of reference genome divergence on the analysis of empirical RADseq datasets
Authors: Bohling Justin
Published: June 2020

The advent of high‐throughput sequencing (HTS) has made genomic‐level analyses feasible for nonmodel organisms. A critical step of many HTS pipelines involves aligning reads to a reference genome to identify variants. Despite recent initiatives, only a fraction of species has publically available reference genomes. Therefore, a common practice is to align reads to the genome of an organism related to the target species; however, this could affect read alignment and bias genotyping. In this study, I conducted an experiment using empirical RADseq datasets generated for two species of salmonids (Actinopterygii; Teleostei; Salmonidae) to address these questions. There are currently reference genomes for six salmonids of varying phylogenetic distance. I aligned the RADseq data to all six genomes and identified variants with several different genotypers, which were then fed into population genetic analyses. Increasing phylogenetic distance between target species and reference genome reduced the proportion of reads that successfully aligned and mapping quality. Reference genome also influenced the number of SNPs that were generated and depth at those SNPs, although the affect varied by genotyper. Inferences of population structure were mixed: increasing reference genome divergence reduced estimates of differentiation but similar patterns of population relationships were found across scenarios. These findings reveal how the choice of reference genome can influence the output of bioinformatic pipelines. It also emphasizes the need to identify best practices and guidelines for the burgeoning field of biodiversity genomics.
Unraveling the mystery of the glacier bear: Genetic population structure of black bears (Ursus americanus) within the range of a rare pelage type
Authors: Lewis Tania , Roffler Gretchen , Crupi Anthony , Maraj Ramona , Barten Neil
Published: June 2020

Glacier bears are a rare grey color morph of American black bear (Ursus americanus) found only in northern Southeast Alaska and a small portion of western Canada. We examine contemporary genetic population structure of black bears within the geographic extent of glacier bears and explore how this structure relates to pelage color and landscape features of a recently glaciated and highly fragmented landscape. We used existing radiocollar data to quantify black bear home‐range size within the geographic range of glacier bears. The mean home‐range size of female black bears in the study area was 13 km2 (n = 11), whereas the home range of a single male was 86.9 km2. We genotyped 284 bears using 21 microsatellites extracted from noninvasively collected hair as well as tissue samples from harvested bears. We found ten populations of black bears in the study area, including several new populations not previously identified, divided largely by geographic features such as glaciers and marine fjords. Glacier bears were assigned to four populations found on the north and east side of Lynn Canal and the north and west side of Glacier Bay with a curious absence in the nonglaciated peninsula between. Lack of genetic relatedness and geographic continuity between black bear populations containing glacier bears suggest a possible unsampled population or an association with ice fields. Further investigation is needed to determine the genetic basis and the adaptive and evolutionary significance of the glacier bear color morph to help focus black bear conservation management to maximize and preserve genetic diversity.
Macroinvertebrate communities in streams with contrasting water sources in the Japanese Alps
Authors: Milner Alexander M. , Docherty Catherine , Windsor Fredric M. , Tojo Koji
Published: June 2020

Alpine streams are typically fed from a range of water sources including glacial meltwater, snowmelt, groundwater flow, and surface rainfall runoff. These contributions are projected to shift with climate change, particularly in the Japanese Alps where snow is expected to decrease, but rainfall events increase. The overarching aim of the study was to understand the key variables driving macroinvertebrate community composition in groundwater and snowmelt‐fed streams (n = 6) in the Kamikochi region of the northern Japanese Alps (April–December 2017). Macroinvertebrate abundance, species richness, and diversity were not significantly different between the two stream types. Community structure, however, was different between groundwater and snowmelt‐fed streams with macroinvertebrate taxa specialized for the environmental conditions present in each system. Temporal variation in the abundance, species richness, and diversity of macroinvertebrate communities was also significantly different between groundwater and snowmelt streams over the study period, with snowmelt streams exhibiting far higher levels of variation. Two snowmelt streams considered perennial proved to be intermittent with periodic drying of the streambed, but the macroinvertebrates in these systems rebounded rapidly after flows resumed with no reduction in taxonomic diversity. These same streams, nevertheless, showed a major reduction in diversity and abundance following periods of high flow, indicating floods rather than periodic drying was a major driver of community structure. This conclusion was also supported from functional analyses, which showed that the more variable snowmelt streams were characterized by taxa with resistant, rather than resilient, life‐history traits. The findings demonstrate the potential for significant turnover in species composition with changing environmental conditions in Japanese alpine stream systems, with groundwater‐fed streams potentially more resilient to future changes in comparison to snowmelt‐fed streams.
Animal aggregations promote emergent aquatic plant production at the aquatic–terrestrial interface
Authors: Lopez Jonathan W. , Parr Thomas B. , Allen Daniel C. , Vaughn Caryn C.
Published: June 2020

The roles mobile animals and abiotic processes play as vectors for resource transfers between ecosystems (“subsidies”) are well studied, but the idea that resources from animals with limited mobility may be transported across boundaries through intermediate taxa remains unexplored. Aquatic plants (“macrophytes”) are globally distributed and may mediate transfers of aquatic‐derived nutrients from aggregations of aquatic animals to terrestrial ecosystems when consumed by terrestrial herbivores. We used mesocosms (94 × 44 cm) to test whether aquatic animal‐generated biogeochemical hotspots increase growth and nutrient content in macrophytes using the macrophyte Justicia americana and freshwater mussels. Justicia americana biomass production increased and belowground biomass allocation changed with increasing mussel density. At high mussel density, water‐column phosphorus increased and carbon:phosphorus ratios in J. americana tissues decreased. We deployed motion‐sensing cameras to explore herbivory on J. americana growing along the margins of the Kiamichi River, Oklahoma, and documented feeding by large mammals (Odocoileus virginianus, Sus scrofa, and Bos taurus). Thus, biogeochemical hotspots generated by aquatic animal aggregations can promote macrophyte production that subsequently is transferred to terrestrial animals. More broadly, this suggests that reductions in aquatic animal biomass may have bottom‐up impacts that indirectly affect terrestrial ecosystems via plant–animal interactions bridging ecosystem boundaries.
Emotions matter: The role of emotional approach coping in chronic pain
Authors: Ziadni Maisa S. , You Dokyoung S. , Johnson Lucia , Lumley Mark A. , Darnall Beth D.
Published: June 2020

Background

Emotional approach coping (EAC) is a potentially adaptive emotion‐focused coping style that involves understanding or processing one's emotions and expressing them appropriately. Although EAC has been studied in various populations, little is known about this construct among people with chronic pain, including potential mediators such as negative affect, which might link EAC to pain‐related variables, and moderators of these relationships.

Methods

Participants (N = 670; 76% women; 30% older adults—age 60 or over) with chronic pain completed online the Emotional Approach Coping Scale and measures of pain severity, pain interference and negative affect. Analyses correlated EAC to pain severity and interference and tested whether gender and age group (older adults versus young/middle‐age adults) moderated the mediated relationships of EAC with pain‐related variables through negative affect.

Results

Findings reveal that higher EAC was associated with lower pain intensity through lower negative affect in the young/middle‐age portion of the sample, but not older adults. Also, higher EAC was associated with lower pain interference through lower negative affect among women in the sample, but not men. The associations of EAC to pain intensity and interference are small in magnitude, however, and should be considered preliminary.

Conclusion

EAC is associated with lower pain intensity in young/middle‐age adults and lower pain interference in women, and lower negative affect mediates these relationships. These results suggest the potential value of assessing and bolstering emotional approach coping processes in some people with chronic pain.
Application of various machine learning architectures for crash prediction, considering different depths and processing layers
Authors: Rezapour Mahdi , Ksaibati Khaled
Published: June 2020

Over a million people die every year as a result of road crashes. A significant proportion of all road fatalities are related to vulnerable road users, including motorcyclist and pedestrian. Artificial intelligent can proactively act to identify those drivers as higher risk of crashes. However, an accurate predictive model is essential for the safety of the road users. High accuracy could be achieved by implementing a reliable method with an optimal architecture and structure being able to identify and flag the risky drivers before a crash occurs. Over the last decade, extensive research has been conducted to achieve a higher accuracy by adjusting the depth of various machine learning algorithms or staking different processing layers. The literature highlights that having a higher algorithm complexity or blindly stacking up layers would not necessarily enhance the model accuracy. Despite the extensive efforts being made about the impacts of depth and various processing layers in the literture, not much research has been conducted on transportation problems to investigate the importance of those factors on the accuracy of crash prediction. In this context, this study aims to implement and compare various deep learning architectures in predicting motorists' crash severity. Various processing layers and depths are considered and compared. Long short‐term memory (LSTM) models have extensively been used in the literature for different types of sequential datasets. However, a comprehensive application of this method for non‐sequential data is still missing. Different processing layers of LSTM and deep neural network (DNN)‐based models with various depths and combinations are here considered and compared. The results indicate that a simple LSTM outperforms an LSTM model with higher depths, and a model with DNN stacked on top of the LSTM model. This study discusses in detail the methodological approach to stacking various layers and hyperparameters tuning.
Carbon cloth‐MnO2 nanotube composite for flexible supercapacitor
Authors: Soni Sumit , Pareek Kapil , Jangid Dinesh Kumar , Rohan Rupesh
Published: June 2020

Three‐dimensional MnO2 nanorods were synthesized on a carbon cloth (CC) via hydrothermal method to fabricate binder‐free electrode for flexible supercapacitor application. The fabricated MnO2/CC electrode exhibits specific capacitance of 487 F g−1 at current density of 2 A g−1 in conventional three electrode system using 1 M Na2SO4 electrolyte. Furthermore, a flexible symmetric supercapacitor is assembled using 1 M Na2SO4 electrolyte which shows maximum specific capacitance of 232 F g−1 at current density of 0.5 A g−1. The supercapacitor exhibits specific energy up to 5.18 Wh kg−1 and specific power of 242 W kg−1 at 0.5 and 1.0 A g−1, respectively. Furthermore, the supercapacitor exhibits specific capacitance retention of 91.7% over 1000 charging discharging cycles. The attractive performance suggests that MnO2/CC supercapacitor has potential application for energy storage.
Harnessing the collective intelligence of stakeholders for conservation
Authors: Gray Steven , Aminpour Payam , Reza Caitie , Scyphers Steven , Grabowski Jonathan , Murphy Robert , Singer Alison , Baltaxe David , Jordan Rebecca , Jetter Antonie , Introne Joshua
Published: June 2020

Incorporating relevant stakeholder input into conservation decision making is fundamentally challenging yet critical for understanding both the status of, and human pressures on, natural resources. Collective intelligence (CI), defined as the ability of a group to accomplish difficult tasks more effectively than individuals, is a growing area of investigation, with implications for improving ecological decision making. However, many questions remain about the ways in which emerging internet technologies can be used to apply CI to natural resource management. We examined how synchronous social‐swarming technologies and asynchronous “wisdom of crowds” techniques can be used as potential conservation tools for estimating the status of natural resources exploited by humans. Using an example from a recreational fishery, we show that the CI of a group of anglers can be harnessed through cyber‐enabled technologies. We demonstrate how such approaches – as compared against empirical data – could provide surprisingly accurate estimates that align with formal scientific estimates. Finally, we offer a practical approach for using resource stakeholders to assist in managing ecosystems, especially in data‐poor situations.
The enhanced enzymatic performance of carbonic anhydrase on the reaction rate between CO2 and aqueous solutions of sterically hindered amines
Authors: Cihan Neslisah , Orhan Ozge Yuksel
Published: June 2020

The kinetics of the reactions of carbon dioxide (CO2) with aqueous solutions of two different sterically hindered amines (SHAs), 2‐amino‐2‐ethyl‐1,3‐propanediol (AEPD) and 2‐amino‐2‐methyl‐1,3‐propanediol (AMPD), in the presence and absence of carbonic anhydrase (CA) was investigated experimentally using stopped‐flow conductimetry. The amine concentration, CA concentration, and temperature were varied within the ranges of 0.1–0.5 kmol·m–3, 0–125 g·m–3, and 298–353 K, respectively. Based on pseudo first‐order reaction conditions, the intrinsic reaction rate (ko) was obtained according to a modified termolecular reaction mechanism. The obtained results showed that the reaction rate between the SHA solutions (either aqueous AEPD or aqueous AMPD) and CO2 was enhanced significantly upon adding small amounts of CA as a promoter. Such a result supports the use of the aforementioned solvent system as a candidate for CO2 capture. © 2020 Society of Chemical Industry and John Wiley & Sons, Ltd.
Reduced survival after autologous stem cell transplantation in myeloma and lymphoma patients with low vitamin D serum levels
Authors: Eicher Florian , Mansouri Taleghani Behrouz , Schild Christof , Bacher Ulrike , Pabst Thomas
Published: June 2020

High‐dose chemotherapy (HDCT) with autologous stem cell transplantation (ASCT) is applied for consolidation in myeloma and relapsing lymphoma patients. Vitamin D (VitD) exerts effects during hematopoietic stem cell proliferation, differentiation and interactions with the immune system. VitD deficiency is frequent in patients with hematological malignancies, but its prognostic relevance after ASCT remains unclear. We investigated the effect of VitD serum levels in patients with lymphomas and myeloma at ASCT on progression‐free (PFS) and overall survival (OS). The cohort (n = 183) was divided into two groups: 81 (44%) had VitD levels >52 nmol/L and 102 (56%) ≤52 nmol/L at ASCT. VitD levels >52 nmol/L were associated with better PFS (P = 0.0194) and OS (P = 0.011). Similarly, when evaluating myeloma patients alone, patients with lower VitD levels (≤52 nmol/L) had inferior PFS (P = 0.0412) and OS (P = 0.049). Finally, the multivariate analysis was consistent that varying VitD levels were significantly associated with OS (P = 0.0167), also when stratifying patients in groups with VitD levels > versus ≤52 nmol/L (P = 0.0421). Our data suggest that reduced serum VitD levels in myeloma and lymphoma patients undergoing HDCT/ASCT are associated with inferior outcome. Optimizing VitD levels before ASCT may be warranted.