bluuebunny/crossref_metadata_2025_split huggingface dataset:
Flexible Amalgam Film Enables Stable Lithium Metal Anodes with High Capacities
Authors: He Guang , Li Qingwen , Shen Yongli , Ding Yi 
Published: October 2019

AbstractDendrite formation is a critical challenge for the applications of lithium (Li) metal anodes. In this work a new strategy is demonstrated to address this issue by fabricating an Li amalgam film on its surface. This protective film serves as a flexible buffer that affords repeated Li plating/stripping. In symmetric cells, the protected Li electrodes exhibit stable cycling over 750 hours at a high plating current and capacity of 8 mA cm−2 and 8 mAh cm−2, respectively. Coupled with high‐loading cathodes (ca. 12 mg cm−2) such as LiFePO4 and LiNi0.6Co0.2Mn0.2O2, the protected hybrid anodes demonstrate significantly improved cell stability, indicating its reliability for practical development of Li metal batteries. Interfacial analyses reveal a unique plating‐alloying synergistic function of the protective film, where Li beneath the film is actively involved in the electrode reactions upon cycling. Lithium amalgams enrich the alloy anode family and provide new perspectives for the rational design of dendrite‐free anodes.
A Dual‐Ligand Porous Coordination Polymer Chemiresistor with Modulated Conductivity and Porosity
Authors: Yao Ming‐Shui , Zheng Jia‐Jia , Wu Ai‐Qian , Xu Gang , Nagarkar Sanjog S. , Zhang Gen , Tsujimoto Masahiko , Sakaki Shigeyoshi , Horike Satoshi , Otake Kenichi , Kitagawa Susumu 
Published: October 2019

AbstractSingle‐ligand‐based electronically conductive porous coordination polymers/metal–organic frameworks (EC‐PCPs/MOFs) fail to meet the requirements of numerous electronic applications owing to their limited tunability in terms of both conductivity and topology. In this study, a new 2D π‐conjugated EC‐MOF containing copper units with mixed trigonal ligands was developed: Cu3(HHTP)(THQ) (HHTP=2,3,6,7,10,11‐hexahydrotriphenylene, THQ=tetrahydroxy‐1,4‐quinone). The modulated conductivity (σ≈2.53×10−5 S cm−1 with an activation energy of 0.30 eV) and high porosity (ca. 441.2 m2 g−1) of the Cu3(HHTP)(THQ) semiconductive nanowires provided an appropriate resistance baseline and highly accessible areas for the development of an excellent chemiresistive gas sensor.
Thiophenylazobenzene: An Alternative Photoisomerization Controlled by Lone‐Pair⋅⋅⋅π Interaction
Authors: Slavov Chavdar , Yang Chong , Heindl Andreas H. , Wegner Hermann A. , Dreuw Andreas , Wachtveitl Josef 
Published: October 2019

AbstractAzoheteroarene photoswitches have attracted attention due to their unique properties. We present the stationary photochromism and ultrafast photoisomerization mechanism of thiophenylazobenzene (TphAB). It demonstrates impressive fatigue resistance and photoisomerization efficiency, and shows favorably separated (E)‐ and (Z)‐isomer absorption bands, allowing for highly selective photoconversion. The (Z)‐isomer of TphAB adopts an unusual orthogonal geometry where the thiophenyl group is perfectly perpendicular to the phenyl group. This geometry is stabilized by a rare lone‐pair⋅⋅⋅π interaction between the S atom and the phenyl group. The photoisomerization of TphAB occurs on the sub‐ps to ps timescale and is governed by this interaction. Therefore, the adoption and disruption of the orthogonal geometry requires significant movement along the inversion reaction coordinates (CNN and NNC angles). Our results establish TphAB as an excellent photoswitch with versatile properties that expand the application possibilities of AB derivatives.
Shining New Light on Multifunctional Lanthanide Single‐Molecule Magnets
Authors: Marin Riccardo , Brunet Gabriel , Murugesu Muralee 
Published: October 2019

AbstractSingle‐molecule magnets (SMMs) are at the forefront of new technological advances in quantum information processing and spintronics. Despite the recent impressive breakthroughs in extending the magnetic blocking temperatures beyond liquid‐nitrogen temperatures, significant challenges await in terms of integrating and addressing such compounds in devices. With this ultimate goal in mind, the design of multifunctional SMMs not only allows to imbue molecules of interest with specific properties that would allow for in situ monitoring of the SMM operation in real time, but can also provide critical insights into our understanding of the magnetic behaviour. In this Review, we highlight how magnetism and luminescence can be harmoniously combined within single molecules to achieve these objectives. The key design principles to attain the simultaneous combination of photoluminescence and slow relaxation of the magnetization are discussed, along with an outlook on how such molecules could be beneficial for emerging next‐generation spintronics devices.
Reversible Transformation between Amorphous and Crystalline States of Unsaturated Polyesters by Cis–Trans Isomerization
Authors: Wan Zhao‐Qian , Ren Wei‐Min , Yang Shuai , Li Ming‐Ran , Gu Ge‐Ge , Lu Xiao‐Bing 
Published: October 2019

AbstractAn aliphatic polyester has been prepared from ethylene oxide and maleic anhydride that undergoes reversible transformation between amorphous (Tg=18 °C) and crystalline (Tm=124 °C) states through cis–trans isomerization of the C=C bonds in the polymer backbone without any change in either the molecular weight or dispersity of the polymer. A similar transformation was also observed in chiral unsaturated polyesters formed from enantiopure terminal epoxides, such as epichlorohydrin, phenyl glycidyl ether, and (2,3‐epoxypropyl)benzene. These unsaturated polyesters with 100 % E‐configuration in the crystalline state were prepared by quantitative isomerization of their Z‐configuration analogues in the presence of a catalytic amount of diethylamine, while in the presence of benzophenone, irradiation with 365 nm UV light resulted in the transformation of about 30 % trans‐alkene to cis‐maleate form, thereby affording amorphous polyesters.
A Cyclic (Alkyl)(boryl)germylene Derived from a Cyclic (Alkyl)(amino)germylene
Authors: Rao Bin , Kinjo Rei 
Published: October 2019

AbstractA cyclic (alkyl)(amino)germylene undergoes a ring expansion reaction with dibromomesitylborane (MesBBr2) to afford a six‐membered dibromogermane derivative. In the presence of Lewis bases (PMe3 or MeNHC), reduction of the latter with two equivalents of potassium graphite (KC8) gives rise to cyclic (alkyl)(boryl)germylene–Lewis base adducts. Upon heating, the germylene—PMe3 adduct reacts with H2 to yield a germane, probably via a base‐free germylene featuring a small HOMO–LUMO gap.
Nitride Spinel: An Ultraincompressible High‐Pressure Form of BeP2N4
Authors: Vogel Sebastian , Bykov Maxim , Bykova Elena , Wendl Sebastian , Kloß Simon D. , Pakhomova Anna , Dubrovinskaia Natalia , Dubrovinsky Leonid , Schnick Wolfgang 
Published: October 2019

AbstractOwing to its outstanding elastic properties, the nitride spinel γ‐Si3N4 is of considered interest for materials scientists and chemists. DFT calculations suggest that Si3N4‐analog beryllium phosphorus nitride BeP2N4 adopts the spinel structure at elevated pressures as well and shows outstanding elastic properties. Herein, we investigate phenakite‐type BeP2N4 by single‐crystal synchrotron X‐ray diffraction and report the phase transition into the spinel‐type phase at 47 GPa and 1800 K in a laser‐heated diamond anvil cell. The structure of spinel‐type BeP2N4 was refined from pressure‐dependent in situ synchrotron powder X‐ray diffraction measurements down to ambient pressure, which proves spinel‐type BeP2N4 a quenchable and metastable phase at ambient conditions. Its isothermal bulk modulus was determined to 325(8) GPa from equation of state, which indicates that spinel‐type BeP2N4 is an ultraincompressible material.
Surface Capping Agents and Their Roles in Shape‐Controlled Synthesis of Colloidal Metal Nanocrystals
Authors: Yang Tung‐Han , Shi Yifeng , Janssen Annemieke , Xia Younan 
Published: October 2019

AbstractSurface capping agents have been extensively used to control the evolution of seeds into nanocrystals with diverse but well‐controlled shapes. Here we offer a comprehensive review of these agents, with a focus on the mechanistic understanding of their roles in guiding the shape evolution of metal nanocrystals. We begin with a brief introduction to the early history of capping agents in electroplating and bulk crystal growth, followed by discussion of how they affect the thermodynamics and kinetics involved in a synthesis of metal nanocrystals. We then present representative examples to highlight the various capping agents, including their binding selectivity, molecular‐level interaction with a metal surface, and impacts on the growth of metal nanocrystals. We also showcase progress in leveraging capping agents to generate nanocrystals with complex structures and/or enhance their catalytic properties. Finally, we discuss various strategies for the exchange or removal of capping agents, together with perspectives on future directions.
Rb4Li2TiOGe4O12: A Titanyl Nonlinear Optical Material with the Widest Transparency Range
Authors: Xia Mingjun , Tang Chuan , Li Rukang 
Published: October 2019

AbstractPractical mid‐infrared (MIR) coherent light beams generated by frequency conversion in nonlinear optical (NLO) crystals are indispensable in time‐resolved infrared vibrational spectroscopy, remote light detection and ranging, and free‐space communications. Herein, a new titanyl germanate Rb4Li2TiOGe4O12 (RLTG) MIR NLO crystal was obtained by heavier element substitution. It features a complicated structure network composed of compressed TiO5 square pyramids and distorted GeO4 tetrahedra, separated by Rb+ and Li+ cations. More importantly, RLTG exhibits concurrently short ultraviolet (0.28 μm) and long IR (5.58 μm) transmittance cutoffs, fully covering the atmospheric transparent window of 3–5 μm. Related to the short UV cutoff, it shows a higher laser‐induced damage threshold in comparison to commercial MIR NLO crystals, about twice that of KTiOPO4 (KTP) and 50 times that of AgGaS2 (AGS).
Li‐N2 Batteries: A Reversible Energy Storage System?
Authors: Zhang Zhang , Wu Shuangshuang , Yang Chao , Zheng Lingyun , Xu Dongli , Zha Ruhua , Tang Lin , Cao Kangzhe , Wang Xin‐gai , Zhou Zhen 
Published: October 2019

AbstractTremendous energy consumption is required for traditional artificial N2 fixation, leading to additional environmental pollution. Recently, new Li‐N2 batteries have inextricably integrated energy storage with N2 fixation. In this work, graphene is introduced into Li‐N2 batteries and enhances the cycling stability. However, the instability and hygroscopicity of the discharge product Li3N lead to a rechargeable but irreversible system. Moreover, strong nonpolar N≡N covalent triple bonds with high ionization energies also cause low efficiency and irreversibility of Li‐N2 batteries. In contrast, the modification with in situ generated Li3N and LiOH restrained the loss and volume change of Li metal anodes during stripping and plating, thereby promoting the rechargeability of the Li‐N2 batteries. The mechanistic study here will assist in the design of more stable Li‐N2 batteries and create more versatile methods for N2 fixation.
Enhancing Biocompatible Stability of DNA Nanostructures Using Dendritic Oligonucleotides and Brick Motifs
Authors: Kim Youngeun , Yin Peng 
Published: October 2019

AbstractThe use of DNA‐based nanomaterials in biomedical applications is continuing to grow, yet more emphasis is being put on the need for guaranteed structural stability of DNA nanostructures in physiological conditions. Various methods have been developed to stabilize DNA origami against low concentrations of divalent cations and the presence of nucleases. However, existing strategies typically require the complete encapsulation of nanostructures, which makes accessing the encased DNA strands difficult, or chemical modification, such as covalent crosslinking of DNA strands. We present a stabilization method involving the synthesis of DNA brick nanostructures with dendritic oligonucleotides attached to the outer surface. We find that nanostructures assembled from DNA brick motifs remain stable against denaturation without any chemical modifications. Furthermore, densely coating the outer surface of DNA brick nanostructures with dendritic oligonucleotides prevents nuclease digestion.
Arene Trifunctionalization with Highly Fused Ring Systems through a Domino Aryne Nucleophilic and Diels–Alder Cascade
Authors: He Jia , Jia Zizi , Tan Hongcheng , Luo Xiaohua , Qiu Dachuan , Shi Jiarong , Xu Hai , Li Yang 
Published: October 2019

AbstractA convenient and efficient domino aryne process was developed under transition‐metal‐free conditions to generate a range of tetra‐ and pentacyclic ring systems. This transformation was realized via a 1,2‐benzdiyne through a nucleophilic and Diels–Alder reaction cascade using styrene as the diene moiety. Three new chemical bonds, namely one C−N and two C−C bonds, and two benzofused rings could be constructed concomitantly, which was made possible by distinct chemoselective control at both the 1,2‐aryne and 2,3‐aryne stages. Moreover, in‐depth studies were carried out on the domino aryne precursors and controlling the diastereoselectivity.
The Key to Understanding the European Miocene Chalcides (Squamata, Scincidae) Comes from Asia: The Lizards of the East Siberian Tagay Locality (Baikal Lake) in Russia
Authors: ČerŇanský Andrej , Syromyatnikova Elena V. , Kovalenko Ekaterina S. , Podurets Konstantin M. , Kaloyan Alexander A. 
Published: October 2019

ABSTRACTThe early middle Miocene (MN 5) lizards from the East Siberian Tagay locality (Baikal Lake, Russia) in Asia are described here. The lizard fauna consists of two clades, Lacertidae and Scincidae. The skink material is allocated to Chalcides. While this taxon was previously reported from Europe, it has rarely been observed in the Neogene record with only jaw fragments and frontal bones described. Its taxonomy was therefore enigmatic. The Tagay material is almost identical to the European fossils of Chalcides from Austria and Hungary, but it also contains the parietal bone. While the material is also similar to the extant Ch. ocellatus, it exhibits several morphological differences. A new species is therefore erected—Chalcides augei sp. nov. These findings further support the connection of the Baikal Lake area with central Europe during the first half of the Miocene. The comparative anatomy of the frontals, parietals and lower jaws was evaluated by micro‐CT in selected skink taxa. This comparison highlights several important differences, for example, paired frontals are present in Broadleysaurus (an outgroup taxon), in Acontias and all studied members of Scincidae herein. The character optimization in Mesquite supports fused frontals as being the condition at the basal node of the Ateuchosauridae + Sphenomorphidae + Eugongylidae + Lygosomidae + Egerniidae + Mabuyidae clade. While the parapineal foramen is restricted to the parietal in most taxa studied herein, it is absent (or vestigial) in Acontias and Feylinia. In contrast to all other skinks, this foramen is located on the frontal in Ateuchosaurus chinensis. Anat Rec, 2019. © 2019 American Association for Anatomy Anat Rec, 303:1901–1934, 2020. © 2019 American Association for Anatomy
Event based distributed kalman filter for limited resource multirobot cooperative localization
Authors: Marín Leonardo , Soriano Ángel , Vallés Marina , Valera Ángel , Albertos Pedro 
Published: October 2019

AbstractThis paper presents a multirobot cooperative event based localization scheme with improved bandwidth usage in a heterogeneous group of mobile robots. The proposed method relies on an agent based framework that defines the communications between robots and on an event based Extended Kalman Filter that performs the cooperative sensor fusion from local, global and relative sources. The event is generated when the pose error covariance exceeds a predefined limit. By this, the robots update the pose using the relative information available only when necessary, using less bandwidth and computational resources when compared to the time based methods, allowing bandwidth allocation for other tasks while extending battery life. The method is tested using a simulation platform developed in the programming language JAVA with a group of differential mobile robots represented by an agent in a JADE framework. The pose estimation performance, error covariance and number of messages exchanged in the communication are measured and used to compare the traditional time based approach with the proposed event based algorithm. Also, the compromise between the accuracy of the localization method and the bandwidth usage is analyzed for different event limits. A final experimental test with two SUMMIT XL robots is shown to validate the simulation results.
Short-term medical treatment of hypercalcaemia in primary hyperparathyroidism predicts symptomatic response after parathyroidectomy
Authors: Koman A , Ohlsson S , Bränström R , Pernow Y , Bränström R , Nilsson I-L 
Published: October 2019

Abstract

Background
Primary hyperparathyroidism is often associated with non-disease-specific symptoms. The aim of this study was to evaluate whether normalization of hypercalcaemia with short-term medical treatment can be used to predict the effects of parathyroidectomy and guide in surgical decision-making.

Methods
This observational study included patients who received calcimimetic treatment for 4 weeks before parathyroidectomy (30–60 mg daily). A panel of tests was used to assess various aspects of quality of life (European Organisation and Treatment of Cancer QLQ-C30 core questionnaire, Hospital Anxiety and Depression Scale and Positive State of Mind questionnaire), cognitive function (Montreal Cognitive Assessment) and muscle strength (timed-stands test). The tests were carried out at baseline, after 4 weeks of calcimimetic treatment, and at 6 weeks and 6 months after parathyroidectomy. The predictive values of changes during calcimimetic treatment were determined for each test.

Results
The study included 110 patients of median age 62 years (91 women). Calcimimetic treatment resulted in normalization of calcium levels and improvements in quality-of-life parameters. The time spent on the timed-stands test was significantly shortened. Eleven of 38 participants with a baseline Montreal Cognitive Assessment score below 26, indicating mild cognitive impairment, reached scores of at least 26 during treatment with calcimimetic. Improvements during treatment with calcimimetic correlated well with postoperative outcomes (positive predictive values 74–96 per cent).

Conclusion
The method described in this study may be used to aid surgical decision-making for patients with primary hyperparathyroidism and non-disease-specific symptoms by predicting the effects of normalization of hypercalcaemia.
The horseradish smile: Demonstrating characteristic reactions of peroxidase in a visually appealing way
Authors: Panzarasa Guido 
Published: October 2019

AbstractEasy and visually appealing demonstrations are precious tools for introducing students to the study of enzymes. However, they most often involve purified enzymes and dedicated techniques. Here, we propose a set of demonstrations, which require only fresh horseradish root and consumer chemicals, to help support biochemistry and enzymology courses from high school to the undergraduate level. Horseradish root is a naturally rich source of horseradish peroxidase, an enzyme with many relevant practical applications. Slices of horseradish root are used to demonstrate the characteristic reaction of horseradish peroxidase with hydrogen peroxide, the selective inhibition of this enzyme by dilute hydrochloric acid, its chromogenic reaction with N,N′‐diethyl‐p‐phenylenediamine, and its ability to trigger the chemiluminescent reaction of luminol. © 2019 International Union of Biochemistry and Molecular Biology, 48(1):38–43, 2020.
Using cartoons agents and 3D visualizations based on HTML5 for improving learning in crystal structures in engineers
Authors: Dalacosta Konstadina , Pavlatou Evangelia A. 
Published: October 2019

AbstractThis paper presents an educational digital material on “solid crystal structures,” in which cartoons agents direct undergraduate students on a learning cycle of understanding concepts from the submicroscopic level and correlate with the corresponding macroscopic‐related properties. Specifically, undergraduate students are given the opportunity to study basic crystal structures starting from structural units, composing the unit cells in a three‐dimensional (3D) pattern that are characterized and related with intermolecular forces within them, and finally leading to basic crystalline solids associated with the macroscopic behavior of solid materials expressed by physical and mechanical properties such as hardness, electrical conductivity, etc. The design of the digital material was focused on the cognitive benefits that students gained after viewing 3D visualizations for which students were able to manipulate the rotation or size of them, to enhance their conceptual understanding addressed to chemistry and engineering, accompanied by cartoons agents. Digital material was constructed to be accessible from and compatible with any web browser without any third‐party plugin. A research using a properly designed questionnaire was conducted in the School of Chemical Engineering in Greece where the evaluation indicated that students preferred using this web material due to its simplicity and their active involvement by self‐controlling the pace and the way of learning.
A New Pimarane Diterpenoid from the Botryotinia fuckeliana Fungus Isolated from Deep‐Sea Water
Authors: Niu Siwen , Peng Guizhen , Xia Jin‐Mei , Xie Chun‐Lan , Li Zengpeng , Yang Xian‐Wen 
Published: October 2019

AbstractA new pimarane diterpenoid, named botryopimarene A (1), was discovered from the fungus Botryotinia fuckeliana MCCC 3 A00494 isolated from the deep‐sea water, together with ten known compounds. The planar structure of 1 was established based on the extensive spectroscopic analyses. The absolute configurations of tricyclic system in 1 were resolved by the theoretical ECD calculation, while the 15,16‐diol moiety in the side chain was resolved by the Mo2(OAc)4‐induced ECD spectrum. Compound 1, featuring a Δ9(11) double bond, was rarely discovered in pimarane family. Compounds 1–11 were tested for their cytotoxic activities using six human cancer cell lines by the MTT method. However, none of the compounds exhibited detectable cytotoxicities (IC50 >20 μm).