bluuebunny/crossref_metadata_2025_split huggingface dataset:
Nanoporous Carbon Materials toward Phenolic Compounds Adsorption
Authors: Fathy Mubarak Mahmoud , Maher Ahmed Alshimaa , saad Gabr Sahar 
Published: April 2021

Nanoporous carbon-based sorbents are used to generate a three-dimensional real-space model of the nanoporous structure using the concept of Gaussian random fields. This pore model is used to derive important pore size characteristics, which are cross-validated against the corresponding values from gas sorption analysis. After filling the model pore structure with an aqueous electrolyte and rearranging the ions via a Monte Carlo simulation for different applied adsorption potentials. In comparison to nanopores formed from solid-state membranes (e.g., silicon oxide, aluminum oxide, polymer membranes, glass, hafnium oxide, gold, etc.) and very recently 2D materials (e.g., boron nitride, molybdenum disulfide, etc.), those nanopores produced from carbon materials (e.g., graphene, carbon nanotubes (CNTs), diamond, etc.), especially those from graphene appear to be perfect for adsorption process. The thickness of carbon structures nanopores can be as thin as 0.35 nm, resembling the height of the base spacing. Moreover, the sizes of carbon structures nanopores can be precisely fabricated and tuned to around 1.0 nm, the similar size of many heavy metals and organic pollutants molecules. Furthermore, carbon materials are chemically stable and feature-rich surface chemistry. Therefore, various carbon nanopore sequencing techniques have been developed. Finally, in this chapter the adsorption of phenolic compounds on nanoporous carbon specifically the active carbon are overviewed and how to affect the heterogeneity of activated carbon surface, PH of the solution on the efficiency of adsorption.
Mat, makt och motstånd: Om konflikter inom tvångsvård
Authors: Pettersson Tove 
Published: April 2021

AbstractThis article discusses how food constitutes a source of conflict at locked compulsory care institutions for youth and adults. The conflicts that arise are often about where, when and what one is allowed to eat, and can have serious consequences such as isolation of the inmate. Both the inmates and the staff describe these conflicts as being about »small things«. But while the staff maintains this level of interpretation, stories from the inmates reveal that in the context of the total institution, these »small things« can be very significant. The rules regarding food are both a reminder of the loss of the outside world and evidence of the loss of control and power that comes with confinement. The results show that younger inmates are more thoroughly controlled than their older counterparts in several respects.
Understanding Michigan's Electoral Competitiveness: Swing Counties 1976-2018
Authors: KLEMANSKI JOHN S. , DULIO DAVID A. , CARR DOUGLAS A. 
Published: April 2021

ABSTRACT
Considerable media attention was given to the so-called “pivot counties” in the U.S. and in Michigan that flipped from supporting Barack Obama twice to voting for Donald Trump in 2016. We first summarize theories of voting behavior and speculate about why Michigan has been consistently competitive over the years. We explore 40 years' worth of county-level presidential and gubernatorial election results in Michigan to determine how frequently counties have flipped across a large number of elections. We find that a number of Michigan counties frequently flip between elections, but the number of competitive Michigan counties has substantially declined in recent decades. Turnout in larger counties can affect election outcomes, and large counties that swing have been key bellwethers in past elections, and should be a major focus of research on future elections in Michigan.
Commercial arbuscular mycorrhizal fungal inoculant failed to establish in a vineyard despite priority advantage
Authors: Thomsen Corrina , Loverock Laura , Kokkoris Vasilis , Holland Taylor , Bowen Patricia A. , Hart Miranda 
Published: April 2021

BackgroundArbuscular mycorrhizal (AM) fungi associate with most plants and can increase nutrient uptake. As a result, commercial inoculants called “biofertilizers” containing AM fungi have been developed and marketed to increase plant performance. However, successful establishment of these inoculants remains a challenge, and may be negatively impacted by competition with fungi already present (priority effects). Perennial agriculture may be more amenable if inoculants can be successfully established on crops prior to field planting.MethodsHere, we inoculate grapevine (Vitis vinifera) with a commercial inoculant in three treatments designed to manipulate the strength and direction of priority effects and quantified the abundance of the fungal strain before and after introduction using droplet digital PCR (ddPCR).ResultsWe found that the introduced strain did not establish in any treatment, even with priority advantage, and inoculated vines did not differ in performance from non-inoculated vines. Fungal abundance was not greater than in pre-inoculation soil samples during any of the five years sampled and may have been impaired by high available phosphorus levels in the soil. This study highlights the need to understand and evaluate how the management of the agricultural system will affect establishment before introduction of “biofertilizers”, which is often unpredictable.
A Case of Sigmoid Colon Cancer Prolapsed Through the Anus in a Young Woman
Authors: Enomoto Masanobu , Katsumata Kenji , Kasahara Kenta , Tago Tomoya , Okazaki Naoto , Kuwabara Hiroshi , Mazaki Junichi , Kawakita Hideaki , Ishizaki Tetsuo , Nagakawa Yuichi , Tsuchida Akihiko 
Published: April 2021

Introduction
Intussusception in which colon cancer acts as a lead point has been previously reported in a number of cases, but prolapse of the tumor through the anus has rarely been reported, and most of those few previous reports have involved elderly individuals.

Case presentation
The patient in this case was a 26-year-old Japanese woman who presented to our emergency department with severe pain after her intestinal tract prolapsed through the anus during defecation. The intussusception was released laparoscopically, and we were able to perform complete mesocolic excision in a manner similar to conventional laparoscopic sigmoidectomy for sigmoid colon cancer prolapse through the anus in a young woman. Because liver metastases were identified on computed tomography, the patient underwent partial hepatectomy twice.

Conclusion
The patient has been followed up for 8 years since the initial surgery and remains alive without recurrence.
The psychosocial rehabilitation in Spain
Authors: Ballus C , Martí Tusquets JL 
Published: July 2002

SummaryThe future and present day state of psychosocial and sociobiological rehabilitation depends on scientific research, the differing rates of development within the autonomous communities, and the “administrative reform”. In the rehabilitation of the chronic mentally ill, these three factors complement existing psycho and sociobiological therapy and cognitive methodology training.
Introduction
Authors: Lopez-Ibor JJ 
Published: July 2002

SummaryIn the past serendipity and good clinical observation were essential for the discovery of new drug treatments for mental disorders. Today, neurochemical and pharmacological research allows development of compounds starting from hypothesis on the origin of the disorders and the actions of available drugs. The new compounds are cleaner from the pharmacological point of view, more specific and therefore with less undesired effects. Venlafaxine is one of these drugs and provides antidepressant efficacy in a broad range of depressed patients, including the most severe ones, with a good safety and tolerability profile.
Medicinal Chemical Biology
Authors: Jones Lyn H. 
Published: April 2021

Abstract
Arguably, the two most important decisions facing drug discovery teams are selecting the target and the therapeutic modality as the focus of their research efforts. This article highlights the recent technical advances in medicinal chemical biology that strongly influence these early, yet centrally important, choices. The article is not meant to be a comprehensive review of all innovations in the area. Examples are chosen that illustrate the impact chemical biology has had recently on drug discovery research. Medicinal chemical biology is ideally suited to expand druggable space through the development of target identification and validation technologies. Equally, innovative therapeutic modalities are required to enhance the medicinal toolkit to ensure that high‐quality clinical candidates are delivered that effectively target pathogenesis. Opportunities and challenges are described that serve to inspire further therapeutic research at the chemistry–biology interface.
Renal‐Clearable Nickel‐Doped Carbon Dots with Boosted Photothermal Conversion Efficiency for Multimodal Imaging‐Guided Cancer Therapy in the Second Near‐Infrared Biowindow
Authors: Tian Boshi , Liu Shikai , Feng Lili , Liu Shaohua , Gai Shili , Dai Yunlu , Xie Lisi , Liu Bin , Yang Piaoping , Zhao Yanli 
Published: April 2021

AbstractPhotothermal agents with absorption in the second near‐infrared (NIR‐II) biowindow have attracted increasing attention for photothermal therapy (PTT) on account of their deeper tissue penetration capacity. However, most of the current NIR‐II photothermal agents exhibit low photothermal conversion efficiency (PCE) and long‐term biotoxicity. To overcome these shortcomings, herein, nickel and nitrogen co‐doped carbon dots (Ni‐CDs, ≈4.6 nm) are prepared via a facile one‐pot hydrothermal approach for imaging‐guided PTT in the NIR‐II window. The Ni‐CDs exhibit significant absorption in the NIR‐II region with a distinguished PCE as high as 76.1% (1064 nm) and have excellent photostability and biocompatibility. Furthermore, the Ni‐CDs can be employed as photothermal, photoacoustic, and magnetic resonance imaging contrast agents because of their outstanding photothermal effect and instinctive paramagnetic feature. The Ni‐CDs demonstrate significant PTT efficacy of tumor upon 1064 nm irradiation with a low power density (0.5 W cm−2). The Ni‐CDs can be eliminated from the body via a renal filtration pathway, thereby minimizing their long‐term biotoxicity. Therefore, this work provides a simple and feasible approach to develop photothermal agents with remarkable PCE in the NIR‐II region, presenting good biosafety for multimodal imaging‐guided PTT of tumor.
Bioinspired Tumor Calcification Enables Early Detection and Elimination of Lung Cancer
Authors: Wu Jicheng , Chen Yanni , Xin Jinxia , Qin Jiale , Zheng Weizeng , Feng Shuaishuai , Sun Chongran , Tian Mei , Lu Zhimin , Wang Ben 
Published: April 2021

AbstractPrecise diagnosis of cancer in an early stage and treatments with a reliable response, high selectivity, and negligible side effects is urgently needed. However, current cancer management involves low‐resolution metrics and delayed visual confirmation of tumor foci in imaging findings, and the toxicity of chemo‐ and radiotherapy unavoidably damages normal tissue and disrupts the immune balance of cancer patients. Here, a polypeptide is synthesized that preferentially targets lung cancer cells rather than normal lung epithelial cells and induces calcium precipitation specifically on the plasma membrane of lung cancer cells without additional supplementary calcium. Polypeptide‐induced cellular calcification can ideally facilitate medical imaging for identifying early‐stage lung cancer and distinguish cancer from benign nodules. Physiological and spontaneous calcification of tumors is induced by polypeptides and sharply prolongs the survival of tumor‐bearing mice without evidence of systemic side effects. This tumor cell‐selective calcification process provides an attractive, safe, and unprecedented approach for accurately visualizing and treating cancer in patients with early‐stage disease in the clinic. It has broad implications in developing simple physiological reactions for diagnosing and treating cancer and provides a new horizon for drug discovery.
Highly Efficient Air‐Mode Silicon Metasurfaces for Visible Light Operation Embedded in a Protective Silica Layer
Authors: Sun Qian , Liang Haowen , Zhang Jianchao , Feng Weibin , Martins Emiliano R. , Krauss Thomas F. , Li Juntao 
Published: April 2021

AbstractDielectric metasurfaces have significant potential for delivering miniaturized optical systems with versatile functionalities, leading to applications in various fields such as orbital angular momentum generation, imaging, and holography. Among the different materials, crystalline silicon has the advantage of technological maturity and high refractive index, which increases design flexibility and processing latitude. The second, and often overlooked, advantage of silicon is that it affords embedding the metasurface in a protective material such as silica, which is essential for practical applications. The trade‐off against this high refractive index is silicon's absorption at visible wavelength, which requires new design strategies. Here, such a strategy based on metasurfaces supporting air modes is identified that can lead to a transmission efficiency as high as 87% at a wavelength of 532 nm. This exceptional efficiency is obtained by using the high index to confine the electric field in the periphery of the meta‐atoms, thereby reducing absorption losses. As an example, the design of a fully embedded metasurface is described that can generate vortex beams with various orders of orbital angular momentum. It is envisioned that the proposed strategy paves the way for practical applications of high‐efficiency metasurfaces based on crystalline silicon.
Free H‐Bonding Interaction Sites in Rigid‐Chain Polymers and Their Filling Approach: A Molecular Dynamics Simulation Study
Authors: Yang Cheng , Xu Ruopei , Tang Siyi , Zhuang Yongbing , Luo Longbo , Liu Xiangyang 
Published: April 2021

AbstractHydrogen bond (H‐bond) plays an important role in structure evolution and properties of various polymers. Due to directivity and saturation of H‐bond, its formation is influenced by macromolecular chain conformation but the relationship is still not well understood up to now. In this paper, amorphous models of polyamide 66 (PA66), polyamide 6T (PA6T), and poly(p‐phenylene‐terephthamide) (PPTA) are built to study influence of chain rigidity on H‐bonding formation by utilizing Molecular Dynamics simulation. Compared with PA66 and PA6T, it is found that chain rigidity of PPTA is more remarkable and corresponding conformation adjustment is hindered more significantly, which leads to considerable weak H‐bonds and free H‐bonding sites. After introducing benzimidazole moiety into PPTA, more H‐bonds form due to more potential H‐bonding sites in benzimidazole units. However, the newly added H‐bonding donor and acceptor are in the co‐ring, and there is a high rotational energy barrier for benzimidazole ring, both of which hinder the formation of strong H‐bonds. Therefore, a strategy is proposed to fill free H‐bonding sites in rigid‐chain polymers through adding oligomers with high movement ability. Thus, the H‐bonds in rigid‐chain polymers are effectively enhanced due to bridging effect of oligomers and tensile modulus of the aramid is improved significantly.
Synergized Multimetal Oxides with Amorphous/Crystalline Heterostructure as Efficient Electrocatalysts for Lithium–Oxygen Batteries
Authors: Sun Zhihui , Cao Xuecheng , Tian Meng , Zeng Kai , Jiang Yongxiang , Rummeli Mark H. , Strasser Peter , Yang Ruizhi 
Published: April 2021

AbstractHigh theoretical specific energy of rechargeable lithium–oxygen (Li–O2) batteries makes them very promising in the development of long driving range electric vehicles and energy storage on large‐scale. However, the large polarization and poor cycling stability associated with insufficient catalytic cathodes and the insulating nature of discharge products limit their practical applications. Here, the fabrication of a trimetallic CoFeCe oxide with an amorphous/crystalline heterostructure acting as an electrocatalyst for the Li–O2 battery cathode is reported. The best‐performing CoFeCe oxide cathode manages to deliver an initial discharge capacity of 12 340 mAh g−1, while maintaining an impressively enhanced cyclic stability over 2900 h at 100 mA g−1. As revealed by combined experimental results and density functional theory (DFT) analysis, synergistic interaction between oxide components, amorphous–crystalline domains, unique heterostructure with minimized lattice mismatch, and the enhanced adsorption of the key intermediate LiO2 are critical factors in boosting the electrocatalytic activity of CoFeCe toward the formation of decomposable Li2O2. This work offers a new insight to rationally design and synthesize an effective multimetal oxide electrocatalyst for the Li–O2 battery cathode.
Organocatalytic Enantioselective Desymmetrization of Prochiral 2,2‐Disubstituted Cyclic 1,3‐Diones
Authors: Chegondi Rambabu , Patel Srilaxmi M. , Maurya Sundaram , Donthoju Ashok 
Published: April 2021

AbstractEnantioselective desymmetrization of prochiral 1,3‐cyclodiketones is the most convenient and highly desired transformation to access densely functionalized, enantiomerically enriched scaffolds with multiple chiral centers. In recent years, organocatalysis has made significant progress in this research area along with other traditional metal‐ or enzyme‐catalyzed reactions. This mini‐review provides an overview of the recent developments in the domain of organocatalytic enantioselective desymmetrization along with a brief discussion about future perspectives.
Single‐Site vs. Cluster Catalysis in High Temperature Oxidations
Authors: Serna Pedro , Rodríguez‐Fernández Aida , Yacob Sara , Kliewer Christine , Moliner Manuel , Corma Avelino 
Published: April 2021

AbstractThe behavior of single Pt atoms and small Pt clusters was investigated for high‐temperature oxidations. The high stability of these molecular sites in CHA is a key to intrinsic structure–performance descriptions of elemental steps such as O2 dissociation, and subsequent oxidation catalysis. Subtle changes in the atomic structure of Pt are responsible for drastic changes in performance driven by specific gas/metal/support interactions. Whereas single Pt atoms and Pt clusters (> ca. 1 nm) are unable to activate, scramble, and desorb two O2 molecules at moderate T (200 °C), clusters <1 nm do so catalytically, but undergo oxidative fragmentation. Oxidation of alkanes at high T is attributed to stable single Pt atoms, and the C‐H cleavage is inferred to be rate‐determining and less sensitive to changes in metal nuclearity compared to its effect on O2 scrambling. In contrast, when combustion involves CO, catalysis is dominated by metal clusters, not single Pt atoms.
Molecular Origin of Blood‐Based Infrared Spectroscopic Fingerprints**
Authors: Voronina Liudmila , Leonardo Cristina , Mueller‐Reif Johannes B. , Geyer Philipp E. , Huber Marinus , Trubetskov Michael , Kepesidis Kosmas V. , Behr Jürgen , Mann Matthias , Krausz Ferenc , Žigman Mihaela 
Published: April 2021

AbstractInfrared spectroscopy of liquid biopsies is a time‐ and cost‐effective approach that may advance biomedical diagnostics. However, the molecular nature of disease‐related changes of infrared molecular fingerprints (IMFs) remains poorly understood, impeding the method's applicability. Here we probe 148 human blood sera and reveal the origin of the variations in their IMFs. To that end, we supplemented infrared spectroscopy with biochemical fractionation and proteomic profiling, providing molecular information about serum composition. Using lung cancer as an example of a medical condition, we demonstrate that the disease‐related differences in IMFs are dominated by contributions from twelve highly abundant proteins—that, if used as a pattern, may be instrumental for detecting malignancy. Tying proteomic to spectral information and machine learning advances our understanding of the infrared spectra of liquid biopsies, a framework that could be applied to probing of any disease.
Human Oxygenase Variants Employing a Single Protein FeII Ligand Are Catalytically Active
Authors: Brasnett Amelia , Pfeffer Inga , Brewitz Lennart , Chowdhury Rasheduzzaman , Nakashima Yu , Tumber Anthony , McDonough Michael A. , Schofield Christopher J. 
Published: April 2021

AbstractAspartate/asparagine‐β‐hydroxylase (AspH) is a human 2‐oxoglutarate (2OG) and FeII oxygenase that catalyses C3 hydroxylations of aspartate/asparagine residues of epidermal growth factor‐like domains (EGFDs). Unusually, AspH employs two histidine residues to chelate FeII rather than the typical triad of two histidine and one glutamate/aspartate residue. We report kinetic, inhibition, and crystallographic studies concerning human AspH variants in which either of its FeII binding histidine residues are substituted for alanine. Both the H725A and, in particular, the H679A AspH variants retain substantial catalytic activity. Crystal structures clearly reveal metal‐ligation by only a single protein histidine ligand. The results have implications for the functional assignment of 2OG oxygenases and for the design of non‐protein biomimetic catalysts.
Amplified Interfacial Effect in an Atomically Dispersed RuOx‐on‐Pd 2D Inverse Nanocatalyst for High‐Performance Oxygen Reduction
Authors: Lyu Zixi , Zhang Xia‐Guang , Wang Yucheng , Liu Kai , Qiu Chunyu , Liao Xinyan , Yang Weihua , Xie Zhaoxiong , Xie Shuifen 
Published: April 2021

AbstractAtomically dispersed oxide‐on‐metal inverse nanocatalysts provide a blueprint to amplify the strong oxide–metal interactions for heterocatalysis but remain a grand challenge in fabrication. Here we report a 2D inverse nanocatalyst, RuOx‐on‐Pd nanosheets, by in situ creating atomically dispersed RuOx/Pd interfaces densely on ultrathin Pd nanosheets via a one‐pot synthesis. The product displays unexpected performance toward the oxygen reduction reaction (ORR) in alkaline medium, which represents 8.0‐ and 22.4‐fold enhancement in mass activity compared to the state‐of‐the‐art Pt/C and Pd/C catalysts, respectively, showcasing an excellent Pt‐alternative cathode electrocatalyst for fuel cells and metal–air batteries. Density functional theory calculations validate that the RuOx/Pd interface can accumulate partial charge from the 2D Pd host and subtly change the adsorption configuration of O2 to facilitate the O−O bond cleavage. Meanwhile, the d‐band center of Pd nanosubstrates is effectively downshifted, realizing weakened oxygen binding strength.
Genetically Engineered Polypeptide Adhesive Coacervates for Surgical Applications
Authors: Sun Jing , Xiao Lingling , Li Bo , Zhao Kelu , Wang Zili , Zhou Yu , Ma Chao , Li Jingjing , Zhang Hongjie , Herrmann Andreas , Liu Kai 
Published: April 2021

AbstractAdhesive hydrogels have been developed for wound healing applications. However, their adhesive performance is impaired dramatically due to their high swelling on wet tissues. To tackle this challenge, we fabricated a new type of non‐swelling protein adhesive for underwater and in vivo applications. In this soft material, the electrostatic complexation between supercharged polypeptides with oppositely charged surfactants containing 3,4‐dihydroxylphenylalanine or azobenzene moieties plays an important role for the formation of ultra‐strong adhesive coacervates. Remarkably, the adhesion capability is superior to commercial cyanoacrylate when tested in ambient conditions. Moreover, the adhesion is stronger than other reported protein‐based adhesives in underwater environment. The ex vivo and in vivo experiments demonstrate the persistent adhesive performance and outstanding behaviors for wound sealing and healing.