bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis, Characterization and Decomposition of 4‐Diazo‐2,6‐dinitrophenol
Authors: Wang Jian‐long , Cao Cai , Cao Jun‐yan , Yan Yu‐min , Chen Li‐zhen , Cao Duan‐lin 
Published: June 2021

AbstractA high energetic compound 4‐diazo‐2,6‐dinitrophenol was synthesized by employing one‐pot facile method from 4‐chloro‐3,5‐dinitroaniline. Its structure was characterized by Fourier transform infrared spectroscopy (FT‐IR), elemental analysis (EA), and nuclear magnetic resonance spectroscopy (1H NMR, 13C NMR and 15N NMR). The crystal structure was determined using an X‐ray single crystal diffractometer. The detonation properties of 4‐diazo‐2,6‐dinitrophenol and 6‐diazo‐3,5‐dichloro‐2,4‐dinitrophenol were compared by using Kamlet formula. Besides, the thermal behavior of 4‐diazo‐2,6‐dinitrophenol was analyzed by differential scanning calorimetry (DSC) and accelerating rate calorimeter (ARC), then according to the thermal analysis data, the thermal decomposition kinetics parameters were calculated using the thermal analysis data based on Kissinger method and Flynn‐Wall‐Ozawa method.
The amounts of thermal vibrations and static disorder in protein X‐ray crystallographic B‐factors
Authors: Na Hyuntae , Hinsen Konrad , Song Guang 
Published: June 2021

AbstractCrystallographic B‐factors provide direct dynamical information on the internal mobility of proteins that is closely linked to function, and are also widely used as a benchmark in assessing elastic network models. A significant question in the field is: what is the exact amount of thermal vibrations in protein crystallographic B‐factors? This work sets out to answer this question. First, we carry out a thorough, statistically sound analysis of crystallographic B‐factors of over 10 000 structures. Second, by employing a highly accurate all‐atom model based on the well‐known CHARMM force field, we obtain computationally the magnitudes of thermal vibrations of nearly 1000 structures. Our key findings are: (i) the magnitude of thermal vibrations, surprisingly, is nearly protein‐independent, as a corollary to the universality for the vibrational spectra of globular proteins established earlier; (ii) the magnitude of thermal vibrations is small, less than 0.1 Å2 at 100 K; (iii) the percentage of thermal vibrations in B‐factors is the lowest at low resolution and low temperature (<10%) but increases to as high as 60% for structures determined at high resolution and at room temperature. The significance of this work is that it provides for the first time, using an extremely large dataset, a thorough analysis of B‐factors and their thermal and static disorder components. The results clearly demonstrate that structures determined at high resolution and at room temperature have the richest dynamics information. Since such structures are relatively rare in the PDB database, the work naturally calls for more such structures to be determined experimentally.
Laboratory studies on the effect of adsorbed microbial extracellular polymeric substances on the acidity of selected variable‐charge soils
Authors: Nkoh Jackson Nkoh , Hong Zhi‐Neng , Xu Ren‐Kou 
Published: June 2021

AbstractExtracellular polymeric substances (EPS) secreted by rhizobacteria are ubiquitous in the environment and can enhance the negative charge of variable‐charge soils. Soil negative charge is directly related to pH buffering capacity (pHBC); it is essential to examine the effect of EPS on soil acidity and pHBC. We investigated the effect of adsorbed EPS on the acidification of five variable‐charge soils in China, which were subjected to different land use: an Oxisol and four Ultisols. Spectroscopic analysis revealed that EPS was specifically adsorbed onto soil surfaces through iron–oxygen–phosphorus/aluminum–oxygen–phosphorus (Fe‐O‐P/Al‐O‐P) bonds formed between phosphoryl groups of EPS and soil Al/Fe oxides. During the formation of Fe‐O‐P/Al‐O‐P bonds, there was ligand exchange between the EPS phosphoryl groups and the surface hydroxyl groups of Fe/Al oxides of the soils. The released OH– played an important role in soil acidity amelioration by the adsorbed EPS through neutralizing H+ and increasing soil suspension pH. After acidification, the pH of EPS‐treated soils was higher than that of the controls. This was attributed to a combined effect of enhanced soil pHBC, and protonation of organic anions (e.g., COO– to COOH) of EPS to decrease the activity of protons. The adsorbed EPS ameliorated prior soil acidity, inhibited new soil acidification, and promoted hydrolysis and re‐adsorption of Al. This was evident as the proportion of organically bound Al and adsorbed hydroxyl Al increased, whereas that of exchangeable Al decreased after EPS adsorption. Therefore, this study can serve as a reference for the molecular design of cost‐effective and environmentally friendly amendments for acid soils.
Peritumoral Microgel Reservoir for Long‐Term Light‐Controlled Triple‐Synergistic Treatment of Osteosarcoma with Single Ultra‐Low Dose
Authors: Yan Jiaqi , Wang Yichuan , Ran Meixin , Mustafa Rawand A. , Luo Huanhuan , Wang Jixiang , Smått Jan‐Henrik , Rosenholm Jessica M. , Cui Wenguo , Lu Yong , Guan Zhenpeng , Zhang Hongbo 
Published: June 2021

AbstractLocal minimally invasive injection of anticancer therapies is a compelling approach to maximize the utilization of drugs and reduce the systemic adverse drug effects. However, the clinical translation is still hampered by many challenges such as short residence time of therapeutic agents and the difficulty in achieving multi‐modulation combination therapy. Herein, mesoporous silica‐coated gold nanorods (AuNR@SiO2) core‐shell nanoparticles are fabricated to facilitate drug loading while rendering them photothermally responsive. Subsequently, AuNR@SiO2 is anchored into a monodisperse photocrosslinkable gelatin (GelMA) microgel through one‐step microfluidic technology. Chemotherapeutic drug doxorubicin (DOX) is loaded into AuNR@SiO2 and 5,6‐dimethylxanthenone‐4‐acetic acid (DMXAA) is loaded in the microgel layer. The osteosarcoma targeting ligand alendronate is conjugated to AuNR@SiO2 to improve the tumor targeting. The microgel greatly improves the injectability since they can be dispersed in buffer and the injectability and degradability are adjustable by microfluidics during the fabrication. The drug release can, in turn, be modulated by multi‐round light‐trigger. Importantly, a single super low drug dose (1 mg kg−1 DOX with 5 mg kg−1 DMXAA) with peritumoral injection generates long‐term therapeutic effect and significantly inhibited tumor growth in osteosarcoma bearing mice. Therefore, this nanocomposite@microgel system can act as a peritumoral reservoir for long‐term effective osteosarcoma treatment.
Accelerating Electron‐Transfer and Tuning Product Selectivity Through Surficial Vacancy Engineering on CZTS/CdS for Photoelectrochemical CO2 Reduction
Authors: Zhou Shujie , Sun Kaiwen , Huang Jialiang , Lu Xinxin , Xie Bingqiao , Zhang Doudou , Hart Judy N. , Toe Cui Ying , Hao Xiaojing , Amal Rose 
Published: June 2021

AbstractCopper‐based chalcogenides have been considered as potential photocathode materials for photoelectrochemical (PEC) CO2 reduction due to their excellent photovoltaic performance and favorable conduction band alignment with the CO2 reduction potential. However, they suffer from low PEC efficiency due to the sluggish charge transfer kinetics and poor selectivity, resulting from random CO2 reduction reaction pathways. Herein, a facile heat treatment (HT) of a Cu2ZnSnS4(CZTS)/CdS photocathode is demonstrated to enable significant improvement in the photocurrent density (−0.75 mA cm−2 at −0.6 V vs RHE), tripling that of pristine CZTS, as a result of the enhanced charge transfer and promoted band alignment originating from the elemental inter‐diffusion at the CZTS/CdS interface. In addition, rationally regulated CO2 reduction selectivity toward CO or alcohols can be obtained by tailoring the surficial sulfur vacancies by HT in different atmospheres (air and nitrogen). Sulfur vacancies replenished by O‐doping is shown to favor CO adsorption and the CC coupling pathway, and thereby produce methanol and ethanol, whilst the CdS surface with more S vacancies promotes CO desorption capability with higher selectivity toward CO. The strategy in this work rationalizes the interface charge transfer optimization and surface vacancy engineering simultaneously, providing a new insight into PEC CO2 reduction photocathode design.
Graphene‐Based Hybrid Functional Materials
Authors: Anichini Cosimo , Samorì Paolo 
Published: June 2021

AbstractGraphene is a 2D material combining numerous outstanding physical properties, including high flexibility and strength, extremely high thermal conductivity and electron mobility, transparency, etc., which make it a unique testbed to explore fundamental physical phenomena. Such physical properties can be further tuned by combining graphene with other nanomaterials or (macro)molecules to form hybrid functional materials, which by design can display not only the properties of the individual components but also exhibit new properties and enhanced characteristics arising from the synergic interaction of the components. The implementation of the hybrid approach to graphene also allows boosting the performances in a multitude of technological applications. This review reports the hybrids formed by graphene combined with other low‐dimensional nanomaterials of diverse dimensionality (0D, 1D, and 2D) and (macro)molecules, with emphasis on the synthetic methods. The most important applications of these hybrids in the fields of sensing, water purification, energy storage, biomedical, (photo)catalysis, and opto(electronics) are also reviewed, with a special focus on the superior performances of these hybrids compared to the individual, nonhybridized components.
Photonic Multilayer Structure Induced High Near‐Infrared (NIR) Blockage as Energy‐Saving Window
Authors: Kim Jiwon , Baek Sangwon , Park Jae Yong , Kim Kwang Ho , Lee Jong‐Lam 
Published: June 2021

AbstractEnergy‐saving window that selectively blocks near‐infrared (NIR) is a promising technology to save energy consumption. However, it is hard to achieve both high transmittance in visible light and high reflectance in NIR for the energy‐saving windows. Here, a TiO2/Ag/TiO2/SiO2/TiO2 multilayer is demonstrated on a glass substrate to selectively block NIR while maintaining high transmittance to visible light. The thickness of a TiO2/Ag/TiO2 structure is first design and optimized; the metal layer reflects NIR and the dielectric layers increase transmittance of visible light with zero reflection condition. To further enhance NIR‐blocking capability, a TiO2 back reflector is implemented with a SiO2 spacer to TiO2/Ag/TiO2 structure. The back reflector can induce additional Fresnel reflection without sacrificing transmittance to visible light. The optimal TiO2 (32 nm)/Ag (22 nm)/TiO2 (30 nm)/SiO2 (100 nm)/TiO2 (110 nm)/glass shows solar energy rejection 89.2% (reflection 86.5%, absorption 2.7%) in NIR, visible transmittance 69.9% and high long‐wave (3 ≤ λ ≤ 20 µm) reflectance > 95%. This proposed visible‐transparent, near‐infrared‐reflecting multilayer film can be applied to the windows of buildings and automobiles to reduce the energy consumption.
Dipole‐Moment Induced Phototaxis and Fuel‐Free Propulsion of ZnO/Pt Janus Micromotors
Authors: He Xiaoli , Jiang Huaide , Li Jianjie , Ma Yanmei , Fu Bi , Hu Chengzhi 
Published: June 2021

AbstractLight‐driven micromotors have stimulated considerate interests due to their potentials in biomedicine, environmental remediation, or serving as the model system for non‐equilibrium physics of active matter. Simultaneous control over the motion direction and speed of micro/nanomotors is crucial for their functionality but still difficult since Brownian motion always randomizes the orientations. Here, a highly efficient light‐driven ZnO/Pt Janus micromotor capable of aligning itself to illumination direction and exhibiting negative phototaxis at high speeds (up to 32 µm s−1) without the addition of any chemical fuels is developed. A light‐triggered self‐built electric field parallel to the light illumination exists due to asymmetrical surface chemical reactions induced by the limited penetration depth of light along the illumination. The phototactic motion of the motor is achieved through electrophoretic rotation induced by the asymmetrical distribution of zeta potential on the two hemispheres of the Janus micromotor, into alignment with the electric field. Notably, similar phototactic propulsion is also achieved on TiO2/Pt and CdS/Pt micromotors, which presents explicit proof of extending the mechanism of dipole‐moment induced phototactic propulsion in other light‐driven Janus micromotors. Finally, active transportation of yeast cells are achieved by the motor, proving its capability in performing complex tasks.
Tailorable Membrane‐Penetrating Nanoplatform for Highly Efficient Organelle‐Specific Localization
Authors: Zhang Xin , Wang Chunfei , Feng Gang , Jiang Jianxia , Hu Jiwen , du Rietz Anna , Brommesson Caroline , Zhang Xuanjun , Ma Yuguang , Roberg Karin , Zhang Fengling , Shen Han‐Ming , Uvdal Kajsa , Hu Zhangjun 
Published: June 2021

AbstractGiven the breadth of currently arising opportunities and concerns associated with nanoparticles for biomedical imaging, various types of nanoparticles have been widely exploited, especially for cellular/subcellular level probing. However, most currently reported nanoparticles either have inefficient delivery into cells or lack specificity for intracellular destinations. The absence of well‐defined nanoplatforms remains a critical challenge hindering practical nano‐based bio‐imaging. Herein, the authors elaborate on a tailorable membrane‐penetrating nanoplatform as a carrier with encapsulated actives and decorated surfaces to tackle the above‐mentioned issues. The tunable contents in such a versatile nanoplatform offer huge flexibility to reach the expected properties and functions. Aggregation‐induced emission luminogen (AIEgen) is applied to achieve sought‐after photophysical properties, specific targeting moieties are installed to give high affinity towards different desired organelles, and critical grafting of cell‐penetrating cyclic disulfides (CPCDs) to promote cellular uptake efficiency without sacrificing the specificity. Hereafter, to validate its practicability, the tailored nano products are successfully applied to track the dynamic correlation between mitochondria and lysosomes during autophagy. The authors believe that the strategy and described materials can facilitate the development of functional nanomaterials for various life science applications.
Bipolar Organic Polymer for High Performance Symmetric Aqueous Proton Battery
Authors: Sun Tianjiang , Du Haihui , Zheng Shibing , Shi Jinqiang , Yuan Xuming , Li Lin , Tao Zhanliang 
Published: June 2021

AbstractBipolar electroactive organic molecules receive an increasing research attention as electrode materials for rechargeable batteries due to their flexibility, controllability, and environmental friendliness. While its application for symmetric aqueous proton batteries is still in its infancy. Herein, a symmetric aqueous proton battery (APB) based on a bipolar poly(aminoanthraquinone) (PNAQ) is developed. The conductivity and solubility of PNAQ are significantly improved by introducing a polyaniline‐like skeleton. It is demonstrated that the quinone‐based moieties allow H+ reversible uptake/removal and the benzene ring‐based units achieve HSO4– adsorption/desorption. The fabricated symmetric APB exhibits a high discharge capacity of 85.3 mA h g–1 at 5 C and excellent rate performance (77 mA h g–1 at 100 C). The good rate performance benefits from capacitance‐like ions diffusion mechanism. Furthermore, surprisingly, the system can also operate at −70 °C and shows superior electrochemical performance (60.4 mA h g–1 at −70 °C).
The Synergistic Reinforcing Effects of Nano‐Diamond and Chitosan‐Grafted MWNTs in Starch Films
Authors: Gou Zhenqiong 
Published: June 2021

AbstractIn this work, new ways to reinforce the performance of starch by incorporating nano‐diamond (ND) and chitosan‐grafted MWNTs (MWNTs‐CS) are developed. The composites are characterized by tensile properties, dispersion properties, thermal analysis, fourier transform infrared (FT‐IR), X‐ray diffractions (XRD) studies, and water vapor permeability (WVP) tests. Loading of ND not only improves the solubility, but also increases the tensile strength, elongation at break and Young's modulus of the starch composite films, which increases by 235.82%, 78.98%, and 976.51%, respectively. In particular, the synergy effects of Young's modulus achieves the effect of “1 + 1 > 2” which may be attributed to the fact that ND can be adsorbed on the surface of MWNTs by π‐π interactions, which prevents aggregation of MWNTs. Meanwhile, hydrogen bonds between grafted CS and the starch matrix are responsible for generating effective load transfer between ND/MWNTs‐CS and the starch matrix, resulting in the simultaneously increased strength and toughness of the nanocomposites. Furthermore, composite film containing ND and MWNTs‐CS shows the lowest water vapor permeability among the composite films prepared in this study.
Quasi‐static test and strut‐and‐tie modeling of precast concrete shear walls with unconnected vertically distributed reinforcements
Authors: Xiao Xu‐Wen , Cao Zhi‐Wei , Zhang Shi‐Qian , Liao Xian‐Dong 
Published: June 2021

AbstractTo solve the fabrication problems of traditional precast shear walls caused by too many connections joints, a new type of precast shear wall with unconnected vertically distributed reinforcements and concealed bracings is developed in this paper. Four full‐scale shear walls, including one cast‐in‐place specimen and three precast specimens, were tested under low‐cycle lateral loading conditions to evaluate the seismic performance of the new type of precast shear wall. The test results showed that the loading capacity and energy dissipation of the new type of precast shear wall were comparable to those of the cast‐in‐place specimen; however, the failure mode was similar to the damage mechanism of an infilled wall frame, not the traditional bending‐shear mode of shear walls. Then, a new strut‐and‐tie model considering dowel action was proposed for this new type of precast shear wall. Finally, a parametric study was conducted by finite element analysis to determine a reasonable value of the effective strength coefficient for the strut‐and‐tie model. Good agreement was achieved between the test and model results.
Searching for lepton portal dark matter with colliders and gravitational waves
Authors: Liu Jia , Wang Xiao-Ping , Xie Ke-Pan 
Published: June 2021

Abstract
We study the lepton portal dark matter (DM) model in which the relic abundance is determined by the portal coupling among the Majorana fermion DM candidate χ, the singlet charged scalar mediator S± and the Standard Model (SM) right-handed lepton. The direct and indirect searches are not sensitive to this model. This article studies the lepton portal coupling as well as the scalar portal coupling (between S± and SM Higgs boson), as the latter is generally allowed in the Lagrangian. The inclusion of scalar portal coupling not only significantly enhances the LHC reach via the gg → h* → S+S− process, but also provides a few novel signal channels, such as the exotic decays and coupling devi- ations of the Higgs boson, offering new opportunities to probe the model. In addition, we also study the Drell-Yan production of S+S− at future lepton colliders, and find out that the scenario where one S± is off-shell can be used to measure the lepton portal coupling directly. In particular, we are interested in the possibility that the scalar potential triggers a first-order phase transition and hence provides the stochastic gravitational wave (GW) signals. In this case, the terrestrial collider experiments and space-based GW detectors serve as complementary approaches to probe the model.
DNA damage as a mechanism of neurodegeneration in ALS and a contributor to astrocyte toxicity
Authors: Kok Jannigje Rachel , Palminha Nelma M. , Dos Santos Souza Cleide , El-Khamisy Sherif F. , Ferraiuolo Laura 
Published: June 2021

AbstractIncreasing evidence supports the involvement of DNA damage in several neurodegenerative diseases, including amyotrophic lateral sclerosis (ALS). Elevated levels of DNA damage are consistently observed in both sporadic and familial forms of ALS and may also play a role in Western Pacific ALS, which is thought to have an environmental cause. The cause of DNA damage in ALS remains unclear but likely differs between genetic subgroups. Repeat expansion in the C9ORF72 gene is the most common genetic cause of familial ALS and responsible for about 10% of sporadic cases. These genetic mutations are known to cause R-loops, thus increasing genomic instability and DNA damage, and generate dipeptide repeat proteins, which have been shown to lead to DNA damage and impairment of the DNA damage response. Similarly, several genes associated with ALS including TARDBP, FUS, NEK1, SQSTM1 and SETX are known to play a role in DNA repair and the DNA damage response, and thus may contribute to neuronal death via these pathways. Another consistent feature present in both sporadic and familial ALS is the ability of astrocytes to induce motor neuron death, although the factors causing this toxicity remain largely unknown. In this review, we summarise the evidence for DNA damage playing a causative or secondary role in the pathogenesis of ALS as well as discuss the possible mechanisms involved in different genetic subtypes with particular focus on the role of astrocytes initiating or perpetuating DNA damage in neurons.
Global experience with PSMA-based alpha therapy in prostate cancer
Authors: Sathekge Mike M. , Bruchertseifer Frank , Vorster Mariza , Morgenstern Alfred , Lawal Ismaheel O. 
Published: June 2021

Abstract
Purpose
This review discusses the current state of prostate-specific membrane antigen (PSMA)-based alpha therapy of metastatic castration-resistant prostate cancer (mCRPC). With this in-depth discussion on the growing field of PSMA-based alpha therapy (PAT), we aimed to increase the interactions between basic scientists and physician–scientists in order to advance the field.

Methods
To achieve this, we discuss the potential, current status, and opportunities for alpha therapy and strategies, attempted to date, and important questions that need to be addressed. The paper reviews important concepts, including whom to treat, how to treat, what to expect regarding treatment outcome, and toxicity, and areas requiring further investigations.

Results
There is much excitement about the potential of this field. Much of the potential exists because these therapies utilize unique mechanisms of action, difficult to achieve with other conventional therapies.

Conclusion
A better understanding of the strengths and limitations of PAT may help in creating an effective therapy for mCRPC and design a rational combinatorial approach to treatment by targeting different tumor pathways.