bluuebunny/crossref_metadata_2025 huggingface dataset:
Asymmetric Copper‐Sulphur Sites Promote C–C Coupling for Selective CO2 Electroreduction to C2 Products
Authors: Liang Liang , Yang Li , Heine Thomas , Arinchtein Aleks , Wang Xingli , Hübner Jessica , Schmidt Johannes , Thomas Arne , Strasser Peter
Published: January 2024

Sustainable multicarbon e‐chemicals are of particular interest due to their potential future, high market values, and demand. In the direct electrocatalytic formation of multicarbon e‐chemicals from CO2, the elementary C–C coupling by CO dimerization is considered the rate‐limiting step. Here, a generalized surface structural design principle of asymmetric metal pair sites is proposed, explored, and experimentally tested in order to promote CO dimerization on surfaces. First a computational model of N‐doped Cu2S layers featuring adjacent, electronically asymmetric Cuδ1+‐Cuδ2+ (0 < δ1+ < δ2+ < 1) metal atomic pairs evidenced by their non‐uniform charge distribution is considered. The electronic asymmetry resulted in distinct CO adsorption energies and the associated self‐adjusting structures, which lowered C–C coupling energy barriers significantly. The computational hypotheses are experimentally tested using X‐ray photoelectron spectroscopy of Cu‐N moieties within N‐doped Cu2S layers. In‐situ Fourier‐transform infrared spectroscopy confirms linear *CO and *CO‐CO adsorption configuration by the peaks of ≈2080 and 1920 cm−1, respectively. After N‐doping, the catalytically C2 faradaic efficiency can significantly be elevated to 14.72% due to the promotion of C–C coupling.
Rapid and Reversible Morphing to Enable Multifunctionality in Robots
Authors: Wilcox Brittan T. , Joyce John , Bartlett Michael D.
Published: January 2024

Biological organisms are extraordinary in their ability to change physical form to perform different functions. Mimicking these capabilities in engineered systems has the potential to create multifunctional robots that adapt form and function on‐demand for search and rescue, environmental monitoring, and transportation. Organisms are able to navigate such unstructured environments with the ability to rapidly change shape, move swiftly in multiple locomotion modes, and do this efficiently and reversibly without external power sources, feats which are difficult for robots. Herein, a bio‐inspired latch‐mediated, spring‐actuated (LaMSA) morphing mechanism is harnessed to near‐instantaneously and reversibly reconfigure a multifunctional robot to achieve driving and flying configurations. This shape change coupled with a combined propeller/wheel leverages the same motors and electronics for both flying and driving, providing efficiency of morphing and locomotion for completely untethered operation. The adaptive robotic vehicle can move through confined spaces and rough terrain which are difficult to pass by driving or flying alone, and expands the potential range through power savings in the driving mode. This work provides a powerful scheme for LaMSA in robots, in which controlled, small‐scale LaMSA systems can be integrated as individual components to robots of all sizes to enable new functionalities and enhance performance.
From circular to elliptical: A useful reformulation of the closed loop economy?
Authors: Realff Matthew J. , Tajvidi Mehdi
Published: January 2024

In this commentary, we discuss the concept of an elliptical economy as opposed to a circular economy. The change of shape emphasizes that the duration of the different phases of the lifecycle is often different and so the implications for the lifecycle may be important.
Ein modifiziertes Ankerpeptid LCI mit einem Cobalt‐Cofaktor verbessert die Oxidationseffizienz von Polystyrol‐Mikropartikeln
Authors: Wang Dong , Ingram Aaron A. , Luka Julian , Mao Maochao , Ahrens Leon , Bienstein Marian , Spaniol Thomas P. , Schwaneberg Ulrich , Okuda Jun
Published: January 2024

Ein typischer Bestandteil von Polymerabfällen ist Polystyrol (PS), das in zahlreichen Anwendungen eingesetzt wird, aufgrund seiner hydrophoben Eigenschaften in der Umwelt aber nur langsam abgebaut wird. Um die Reaktivität von Polystyrol zu erhöhen, müssen polare Gruppen eingeführt werden. In dieser Arbeit werden biohybride Katalysatoren auf Grundlage des modifizerten Ankerpeptids LCI_F16C vorgestellt, die sich an Polystyrol‐Mikropartikel anheften können und benzylische C−H‐Bindungen in Polystyrol‐Mikropartikeln mit handelsüblichem Oxon als Oxidationsmittel hydroxylieren. Eine dichte Oberflächenbedeckung von PS mit LCI‐Peptid erfolgt durch Bildung von Monoschichten innerhalb von Minuten in wässrigen Lösungen bei Raumtemperatur. Der katalytisch aktive Cobalt‐Cofaktor Co‐L1 oder Co‐L2 mit einem modifizierten NNNN‐makrozyklischen TACD‐Liganden (TACD=1,4,7,10‐Tetraazacyclododecan) ist über einen Maleimid‐Linker kovalent an das Ankerpeptid LCI gebunden. Im Vergleich zu den freien Cofaktoren wurde eine 12‐ bis 15‐fache Verbesserung der katalytischen Aktivität mit Biohybrid‐Katalysatoren auf Basis von LCI_F16C beobachtet.
Aromatic Ketones as Mild Presodiating Reagents toward Cathodes for High‐Performance Sodium‐Ion Batteries
Authors: Zhang Shihao , Wang Jing , Chen Kean , Pu Xiangjun , Zhu Huiying , Zhao Yanan , Zhao Along , Chen Xiaoyang , Fang Yongjin , Chen Zhongxue , Cao Yuliang
Published: January 2024

Chemical presodiation (CP) is an effective strategy to enhance energy density of sodium ion batteries. However, the sodiation reagents reported so far are basically polycyclic aromatic hydrocarbons (PAHs) wth low reductive potential (~0.1 V vs. Na+/Na), which could easily cause over‐sodiation and structural deterioration of the presodiated cathodes. In this work, Aromatic ketones (AKs) are rationally designed as mild presodiating reagents by introducing a carbonyl group (C=O) into PAHs to balance the conjugated and inductive effect. As the representatives, two compounds 9‐Fluorenoneb (9‐FN) and Benzophenone (BP) manifest favorable equilibrium potential of 1.55 V and 1.07 V (vs. Na+/Na), respectively. Note that 9‐FN demonstrates versatile presodiating capability toward multiple Na uptake hosts (tunneled Na0.44MnO2, layered Na0.67Ni0.33Mn0.67O2, polyanionic Na4Fe2.91(PO4)2P2O7, Na3V2(PO4)3 and Na3V2(PO4)2F3), enabling greatly improved initial charging capacity of the cathode to balance the irrevisible capacity of the anode. Our results indicate that the Aromatic ketones are competitive presodiating cathodic reagents for high‐performance sodium‐ion batteries, and will inspire more studies and application attempts in the future.
Asymmetric Anion Zinc Salt Derived Solid Electrolyte Interphase Enabled Long‐Lifespan Aqueous Zinc Bromine Batteries
Authors: Chen Shengmei , Li Shimei , Ma Longtao , Ying Yiran , Wu Zhuoxi , Huang Haitao , Zhi Chunyi
Published: January 2024

Organic additives with high‐reduction potentials are generally applied in aqueous electrolytes to stabilize the Zn anode, while compromise safety and environmental compatibility. Highly concentrated water‐in‐salt electrolytes have been proposed to realize the high reversibility of Zn plating/stripping; however, their high cost and viscosity hinder their practical applications. Therefore, exploring low‐concentration Zn salts, that can be used directly to stabilize Zn anodes, is of primary importance. Herein, we developed an asymmetric anion group, bi(difluoromethanesulfonyl)(trifluoromethanesulfonyl)imide (DFTFSI‐)‐based novel zinc salt, Zn(DFTFSI)2, to obtain a high ionic conductivity and a highly stable dendrite‐free Zn anode. Experimental tests and theoretical calculations verified that DFTFSI− in the Zn2+ solvation sheath and inner Helmholtz plane would be preferentially reduced to construct layer‐structured SEI films, inhibiting hydrogen evolution and side reactions. Consequently, the Zn
Zn symmetric cell with 1M Zn(DFTFSI)2 aqueous electrolyte delivers an ultralong cycle life for >2500 h outperforming many other conventional Zn salt electrolytes. The Zn
Br2 battery also exhibits a long lifespan over 1200 cycles at ~99.8 % Coulombic efficiency with a high capacity retention of 92.5 %. Furthermore, this outstanding performance translates well to a high‐areal‐capacity Zn
Br2 battery (~5.6 mAh ⋅ cm‐2), cycling over 320 cycles with 95.3 % initial capacity retained.
Engineered Anchor Peptide LCI with a Cobalt Cofactor Enhances Oxidation Efficiency of Polystyrene Microparticles
Authors: Wang Dong , Ingram Aaron A. , Luka Julian , Mao Maochao , Ahrens Leon , Bienstein Marian , Spaniol Thomas P. , Schwaneberg Ulrich , Okuda Jun
Published: January 2024

A typical component of polymer waste is polystyrene (PS) used in numerous applications, but degraded only slowly in the environment due to its hydrophobic properties. To increase the reactivity of polystyrene, polar groups need to be introduced. Here, biohybrid catalysts based on the engineered anchor peptide LCI_F16C are presented, which are capable of attaching to polystyrene microparticles and hydroxylating benzylic C−H bonds in polystyrene microparticles using commercially available oxone as oxidant. LCI peptides achieve a dense surface coverage of PS through monolayer formation within minutes in aqueous solutions at ambient temperature. The catalytically active cobalt cofactor Co‐L1 or Co‐L2 with a modified NNNN macrocyclic TACD ligand (TACD=1,4,7,10‐tetraazacyclododecane) is covalently bound to the anchor peptide LCI through a maleimide linker. Compared to the free cofactors, a 12‐ to 15‐fold improvement in catalytic activity using biohybrid catalysts based on LCI_F16C was observed.
Meltable Aluminum Molecular Rings with Fluorescence and Nonlinear Optical Properties
Authors: Wang San‐Tai , Fang Wei‐Hui , Zhang Jian
Published: January 2024

Crystal–liquid–glass, which combines the tunable properties of crystalline compounds with the processability of glasses, has emerged as a new class of materials for fabricating bulk‐shapable devices in real applications. Inspired by the characteristics of deep eutectic solvent (DES) mixtures involving significant depressions in melting points compared to their neat constituent components, in this study, we designed and synthesized the first examples of meltable aluminum oxo clusters (AlOCs) via lattice doping with DESs at the molecular level. The abundant and strong hydrogen bonding between the aluminum molecular ring, DES components, and lattice solvents is postulated to be the root that affords melting point depressions and, thus, “melting” clusters. We prepared a transparent bubble‐free glass film under autogenous pressure using a hot‐press method. These cluster‐based films exhibited luminescent and nonlinear optical properties similar to those of pristine crystalline compounds. Our study belongs to the interdisciplinary disciplines of chemistry and physics. It not only breaks the limitations of crystalline glass on metal and ligand types but also acts as a general guide for extending the range of meltable crystalline materials.
Selective Formation of Pd‐DNA Hybrids Using Tailored Palladium‐Mediated Base Pairs: Towards Heteroleptic Pd‐DNA Systems
Authors: Pérez‐Romero Antonio , Cano‐Muñoz Mario , López‐Chamorro Carmen , Conejero‐Lara Francisco , Palacios Oscar , Dobado José A. , Galindo Miguel A.
Published: January 2024

The formation of highly organized metal‐DNA structures has significant implications in bioinorganic chemistry, molecular biology and material science due to their unique properties and potential applications. In this study, we report on the conversion of single‐stranded polydeoxycytidine (dC15) into a Pd‐DNA supramolecular structure using the [Pd(Aqa)] complex (Aqa=8‐amino‐4‐hydroxyquinoline‐2‐carboxylic acid) through a self‐assembly process. The resulting Pd‐DNA assembly closely resembles a natural double helix, with continuous [Pd(Aqa)(C)] (C=cytosine) units serving as palladium‐mediated base pairs, forming interbase hydrogen bonds and intrastrand stacking interactions. Notably, the design of the [Pd(Aqa)] complex favours the interaction with cytosine, distinguishing it from our previously reported [Pd(Cheld)] complex (Cheld=chelidamic acid). This finding opens possibilities for creating heteroleptic Pd‐DNA hybrids where different complexes specifically bind to nucleobases. We confirmed the Pd‐DNA supramolecular structural assembly and selective binding of the complexes using NMR spectroscopy, circular dichroism, mass spectrometry, isothermal titration calorimetry, and DFT calculations.
Upcycling Food By‐products: Characteristics and Applications of Nanocellulose
Authors: Kim Mikyung , Doh Hansol
Published: January 2024

Rising global food prices and the increasing prevalence of food insecurity highlight the imprudence of food waste and the inefficiencies of the current food system. Upcycling food by‐products holds significant potential for mitigating food loss and waste within the food supply chain. Food by‐products can be utilized to extract nanocellulose, a material that has obtained substantial attention recently due to its renewability, biocompatibility, bioavailability, and a multitude of remarkable properties. Cellulose nanomaterials have been the subject of extensive research and have shown promise across a wide array of applications, including the food industry. Notably, nanocellulose possesses unique attributes such as a surface area, aspect ratio, rheological behavior, water absorption capabilities, crystallinity, surface modification, as well as low possibilities of cytotoxicity and genotoxicity. These qualities make nanocellulose suitable for diverse applications spanning the realms of food production, biomedicine, packaging, and beyond. This review aims to provide an overview of the outcomes and potential applications of cellulose nanomaterials derived from food by‐products. Nanocellulose can be produced through both top‐down and bottom‐up approaches, yielding various types of nanocellulose. Each of these variants possesses distinctive characteristics that have the potential to significantly enhance multiple sectors within the commercial market.
Design patterns of biological cells
Authors: Andrews Steven S. , Wiley H. Steven , Sauro Herbert M.
Published: January 2024

Design patterns are generalized solutions to frequently recurring problems. They were initially developed by architects and computer scientists to create a higher level of abstraction for their designs. Here, we extend these concepts to cell biology to lend a new perspective on the evolved designs of cells' underlying reaction networks. We present a catalog of 21 design patterns divided into three categories: creational patterns describe processes that build the cell, structural patterns describe the layouts of reaction networks, and behavioral patterns describe reaction network function. Applying this pattern language to the E. coli central metabolic reaction network, the yeast pheromone response signaling network, and other examples lends new insights into these systems.
Application of a white and green spectrofluorimetric approach for facile quantification of amlodipine, a hypotensive drug, in batch materials, dosage forms, and biological fluids; content homogeneity testing
Authors: Alqarni Abdulmalik M. , Haredy Ahmed M. , Abdelrahman Kamal S. , Soltan Osama M. , Abdel‐Aal Mohamed A. A. , Alrofaidi Mohammad A. , Aalamri Abdulwahab , Osman Mhdia Elhadi , Alamri Ahmed Awadh , Hamad Ahmed Abdulhafez
Published: January 2024

The suggested study adheres to a particular protocol to ensure that the process is environmentally friendly and sustainable. It is worth mentioning that several tools have been adopted as prospective measures of the method greenness. Fortunately, the established analytical method is identified as white by the white analytical chemistry (WAC) concept, which uses the red/ green/blue color scheme (RGB 12 tool) to combine ecological and functional factors for the first time in studying of the cited drug. Amlodipine (AMD), a cardiovascular treating agent, belongs to the dihydropyridine class of oral calcium channel‐blocking agents. This article presents a novel, simple, green, one‐pot‐processed, fast, and ultrasensitive fluorimetric approach for monitoring and assessment of AMD using molecular‐size‐dependent fluorescence augmentation of the light scattering‐driven signal of eosin, a biological stain at a wavelength of 415 nm. This enhancement was directly proportional to the size of the produced complex. The linearity range was from 30 to 900 ng mL−1, with corresponding sensitivity limits (detection and quantitation levels) of 9.2 and 28 ng mL−1, respectively. The planned approach was also successfully used to track AMD content in bulk, dosage forms, and bio‐fluids (human plasma and urine). The developed method's eco‐friendliness was established by different eco‐rating metric tools.
Enhancing diaphragmatic defect repair and regeneration: How biomaterials leading the way to progress?
Authors: Farahani Mojtaba , Gnatowski Przemysław , Najafloo Raziyeh , Navaei Tina , Piłat Edyta , Kucińska‐Lipka Justyna , Saeb Mohammad Reza , Mozafari Masoud
Published: January 2024

Physicians encounter significant challenges in dealing with large diaphragmatic defects in both pediatric and adult populations. Diaphragmatic hernias, such as Morgagni, Bochdalek, and Hiatus hernias, can result in congenital lesions that are often undiagnosed until the appearance of symptoms (bleeding, anemia, and acid reflux). Therefore, substantial potential exists for developing tissue‐engineered constructs as novel therapeutic options in clinics. Recent research indicates promising mid‐term performance for both natural and synthetic materials. However, studies exploring their application in diaphragm regeneration are limited and remain in the early research stages. Additionally, further investigation is required to address the constraints in human tissue supply for clinical implementation. This article comprehensively reviews the role of biomaterials in diaphragmatic tissue repair and regeneration. It emphasizes biomaterials, including biomimetic polymers used in technological solutions. This summary will enable researchers to critically assess the capability of existing natural biomaterials as essential tissue‐engineered patches for clinical use.
A custom 3D printed paddlewheel improves growth in flat panel photobioreactor
Authors: Meagher Michelle , Tamburro Jacob , Boyle Nanette R.
Published: January 2024

One of the main challenges with using flat panel photobioreactors for algal growth is uneven mixing and settling of cells in corners, especially when bubbling is the only method used for mixing. In order to improve mixing in our flat panel reactor, we designed a custom paddlewheel. Paddlewheels are frequently used in outdoor algae raceway ponds to improve mixing and we are taking advantage of the same principle for mixing in the reactor. The paddlewheel is easily integrated into our PSI FMT150 1‐L flat panel photobioreactor and is printed on a 3D printer using high temperature poly lactic acid (HT‐PLA). With the inclusion of an annealing step, the paddlewheel is autoclavable. Addition of the paddlewheel in the reactor minimized cell settling and improved algal growth, as evidenced by a nearly 40% increase in oxygen production rates. Nutrient dispersion and utilization in the culture was also improved as evidenced by a corresponding 38% decrease in CO2 concentration. The paddlewheel device presented here is a cost‐effective method for improving algal growth in a flat panel photobioreactor.
Unravelling HDAC Selectivity for Erasing Acetyl Mark on Lys‐5 of Histone H2B
Authors: Shukla Shagun , Murmu Sumit , Mora Tulasiram , Dhanasekaran Karthigeyan , Roy Rajendra P.
Published: January 2024

The reversible acetylation of specific Lysine residues of histones plays crucial role in the epigenetic regulation of chromatin activity. Importantly, perturbations of acetylation‐deacetylation dynamics have important implications for cancer and neurological disorders. There are 18 human HDACs including sirtuins. The site‐selective acetyl eraser specificity of HDACs is poorly defined. Deciphering the site specificity preference of HDACs from a gamut of lysine in histones may be critical for targeted inhibitor development and delineation of regulatory mechanisms associated with chromatin. Here, we have interrogated the propensity of HDACs to erase acetyl mark at Lys‐5 of H2B namely, H2BK5Ac engineered by a peptide ligation reaction catalyzed by transpeptidase sortase. HDACs and Sirtuins were individually over‐expressed in HEK293 cells and the deacetylation propensity of respective cell lysates was evaluated against H2BK5Ac for initial screening of potential acetyl erasers. This screen indicated HDAC1 as the prime eraser of acetyl mark in H2BK5Ac. The propensity of HDAC1 to erase acetyl mark of H2BK5Ac was further probed using semisynthetic designer nucleosomes with whole cell lysates, recombinant enzyme, and specific inhibitors. Consistent with the above data, siRNA knockdown of HDAC1 and closely related HDAC3 in HEK293 cells prevented the loss of H2BK5 acetylation.
Relationships between texture properties of cooked rice with grain amylose and protein content in high eating quality indica rice
Authors: Li Xing , Zhang Ming , Xiao Zhengwu , Liu Longsheng , Cao Fangbo , Chen Jiana , Huang Min
Published: January 2024

Background and Objective

Texture is critical in determining the eating quality of cooked rice and is dependent on physiochemical properties of rice grains. In this study, relationships between texture properties of cooked rice with grain amylose and protein content were evaluated across 25 high eating quality indica rice varieties.

Findings

Grain amylose and protein content ranged from 13.2% to 20.0% and from 5.37% to 7.77%, with means of 17.6% and 6.43%, respectively. The ranges of hardness, springiness, cohesiveness, resilience, and chewiness of cooked rice were 425–1074 g, 0.672–0.812, 0.447–0.632, 0.278–0.457, and 130–480 g, with means of 710 g, 0.768, 0.570, 0.394, and 320 g, respectively. Correlation plot analysis and partial correlation analysis showed that all five texture properties of cooked rice were significantly related to grain amylose content, whereas the relationships between each of the five texture properties and grain protein content were not significant or much less significant than the relationships between texture properties and grain amylose content.

Conclusions

High eating quality indica rice varieties have diverse texture properties when cooked. Selection of texture properties of cooked rice should focus on grain amylose content rather than grain protein content for high eating quality indica rice.

Significance and Novelty

This study identifies the critical physiochemical property determining cooked rice texture in high eating quality indica rice.
Metal‐2D Semiconductor Hybrid Nano‐Structure Catalyst: A New Frontier of Heterogeneous Catalysis
Authors: Zhang Yanji , Zhou Jicheng
Published: January 2024

Catalytic hydrogenation of nitroarenes is a type of important reaction to get corresponding amines, the development of catalysts with outstanding catalytic performance is in urgent need. In this review, we summarize the breakthroughs in the development of supported metal catalysts in the past few decades, including the use of different metals and supports, improved metal utilization efficiency, adjustment of the structure, and the interaction. We focus on how to develop and innovate the structure of the catalyst, aiming at the contradiction between conversion and selectivity in selective hydrogenation of nitroarenes, from the perspective of the structure and the interaction to construct a kind of catalyst with low noble metal loading and high activity, stabilize the active components, and design and fabricate hybrid nanostructured catalysts with desired activity and selectivity. The development process and the catalytic performance of metal‐2D semiconductor hybrid nano‐structure catalyst are also discussed and provide a theoretical and practical basis for the precise design of supported metal catalysts.
Transition‐metal Substituted Polyoxometalates as Soluble RedOx Mediators in Electrocatalytic Biomass Conversion
Authors: Mürtz Sonja D. , Raabe Jan‐Christian , Poller Maximilian J. , Palkovits Regina , Albert Jakob , Kurig Nils
Published: January 2024

Polyoxometalates (POMs) are known for their unique redox properties, making them interesting candidates as redox mediators in electro‐organic transformations. We investigated derivatives of H3[PMo12O40], a classical Keggin‐type POM, as a potential redox mediator in the indirect electrolysis of biobased glyceraldehyde (GLAD), focusing on the effects of double substitution of the Mo framework metal by redox active transition metals (Mo replaced by V, Ni, Co, Mn). By combining electrochemical techniques with HPLC, UV‐Vis spectroscopy, and 31P‐NMR spectroscopy, a comprehensive overview of the reaction pathways, as well as the electronic and structural changes of the POM during the reaction were revealed. This work not only contributes to the fundamental understanding of POMs as redox mediators, but also paves the way for innovative development of sustainable and environmentally friendly electro‐organic transformations.
Adaptive ultra‐hypofractionated whole‐pelvic radiotherapy in high‐risk and very high‐risk prostate cancer on 1.5‐Tesla MR‐Linac: Estimated delivered dose and early toxicity results
Authors: Gao Linrui , Wei Ran , Qin Shirui , Tian Yuan , Xia Wenlong , Song Yongwen , Wang Shulian , Fang Hui , Tang Yu , Jing Hao , Liu Yueping , Tang Yuan , Qi Shunan , Chen Bo , Li Yexiong , Xing Nianzeng , Lu Ningning
Published: January 2024

Background

Magnetic resonance (MR)‐guided ultra‐hypofractionated radiotherapy with whole‐pelvic irradiation (UHF‐WPRT) is a novel approach to radiotherapy for patients with high‐risk (HR) and very high‐risk (VHR) prostate cancer (PCa). However, the inherent complexity of adaptive UHF‐WPRT might inevitably result in longer on‐couch time. We aimed to estimate the delivered dose, study the feasibility and safety of adaptive UHF‐WPRT on a 1.5‐Tesla MR‐Linac.

Methods

Ten patients with clinical stage T3a‐4N0‐1M0‐1c PCa, who consecutively received UHF‐WPRT, were enrolled prospectively. The contours of the target and organ‐at‐risks on the position verification‐MR (PV‐MR), beam‐on 3D‐MR(Bn‐MR), and post‐MR (after radiotherapy delivery) were derived from the pre‐MR data by deformable image registration. The physician then manually adjusted them, and dose recalculation was performed accordingly. GraphPad Prism 9 (GraphPad Prism Software Inc.) was utilized for conducting statistical analyses.

Results

In total, we collected 188 MR scans (50 pre‐MR, 50 PV‐MR, 44 Bn‐MR, and 44 post‐MR scans). With median 59 min, the mean prostate clinical target volume (CTV)‐V100% was 98.59% ± 2.74%, and the mean pelvic CTVp‐V100% relative percentages of all scans was 99.60% ± 1.18%. The median V29 Gy change in the rectal wall was −2% (−18% to 20%). With a median follow‐up of 9 months, no patient had acute Common Terminology Criteria for Adverse Events (CTCAE) grade 2 or more severe genitourinary (GU) or gastrointestinal (GI) toxicities (0%).

Conclusion

UHF‐RT to the prostate and the whole pelvis with concomitant boost to positive nodes using an Adapt‐To‐Shape (ATS) workflow was technically feasible for patients with HR and VHR PCa, presenting only mild GU and GI toxicities. The estimated target dose during the beam‐on phase was clinically acceptable based on the 3D‐MR–based dosimetry analysis.

Clinical trial registration

Chinese Clinical Trial Registry ChiCTR2000033382.
Protein‐Templated Ugi Reactions versus In‐Situ Ligation Screening: Two Roads to the Identification of SARS‐CoV‐2 Main Protease Inhibitors
Authors: Wamser Rebekka , Zhang Xinting , Kuropka Benno , Arkona Christoph , Rademann Jörg
Published: January 2024

Protein‐templated fragment ligation was established as a method for the rapid identification of high affinity ligands, and multicomponent reactions (MCR) such as the Ugi four‐component reaction (Ugi 4CR) have been efficient in the synthesis of drug candidates. Thus, the combination of both strategies should provide a powerful approach to drug discovery. Here, we investigate protein‐templated Ugi 4CR quantitatively using a fluorescence‐based enzyme assay, HPLC‐QTOF mass spectrometry (MS), and native protein MS with SARS‐CoV‐2 main protease as template. Ugi reactions were analyzed in aqueous buffer at varying pH and fragment concentration. Potent inhibitors of the protease were formed in presence of the protein via Ugi 4CR together with Ugi three‐component reaction (Ugi 3CR) products. Binding of inhibitors to the protease was confirmed by native MS and resulted in the dimerization of the protein target. Formation of Ugi products was, however, more efficient in the non‐templated reaction, apparently due to interactions of the protein with the isocyanide and imine fragments. Consequently, in‐situ ligation screening of Ugi 4CR products was identified as a superior approach to the discovery of SARS‐CoV‐2 protease inhibitors.
Combination of population balance equation and multi‐layer capacitor theory for modelling of an industrial Dual Polarity® electrostatic treater
Authors: Akbarian Kakhki Navid , Shooshtari Mohammad , Karimi Mehdi
Published: January 2024

In the present study, an analytical model is developed to investigate the dehydration efficiency of a NATCO Dual Polarity® electrostatic treater at steady state conditions using population balance equations (PBE). To investigate the effect of frequency on dehydration performance and electric field strength between electrodes, a detailed electrical model is considered. In the developed electrical model, electrodes are virtualized as simple ideal capacitors, with emulsion acting as dielectric. Proving the model's accuracy, gathered industrial data were compared with simulation results. In addition, current frequency as the main electrical parameter besides power supply electrical potential was proved to be effective on the strength of the applied electric field, the electrical potential profile on electrodes, and the outlet water cut in the treated crude oil. The results indicated that increasing the current frequency from 50 to 500 Hz, by enhancing direct current field strength, reduces the water cut by 0.03%. Although high temperatures and frequencies increase the electrical conductivity of the emulsion, electrical power lost during the disconnection of the power supply on electrodes will be retrieved by increasing frequency. Finally, the performance of different electric fields on crude oil dehydration was compared.
Determinants of active surveillance uptake in a diverse population‐based cohort of men with low‐risk prostate cancer: The Treatment Options in Prostate Cancer Study (TOPCS)
Authors: Xu Jinping , Bock Cathryn H. , Janisse James , Woo Justin , Cher Michael L. , Ginsburg Kevin , Yacoub Rami , Goodman Michael
Published: January 2024

Background

Active surveillance (AS) is the preferred strategy for low‐risk prostate cancer (LRPC); however, limited data on determinants of AS adoption exist, particularly among Black men.

Methods

Black and White newly diagnosed (from January 2014 through June 2017) patients with LRPC ≤75 years of age were identified through metro‐Detroit and Georgia population‐based cancer registries and completed a survey evaluating factors influencing AS uptake.

Results

Among 1688 study participants, 57% chose AS (51% of Black participants, 61% of White) over definitive treatment. In the unadjusted analysis, patient factors associated with initial AS uptake included older age, White race, and higher education. However, after adjusting for covariates, none of these factors was significant predictors of AS uptake. The strongest determinant of AS uptake was the AS recommendation by a urologist (adjusted prevalence ratio, 6.59, 95% CI, 4.84–8.97). Other factors associated with the decision to undergo AS included a shared patient–physician treatment decision, greater prostate cancer knowledge, and residence in metro‐Detroit compared with Georgia. Conversely, men whose decision was strongly influenced by the desire to achieve “cure” or “live longer” with treatment and those who perceived their LRPC diagnosis as more serious were less likely to choose AS.

Conclusions

In this contemporary sample, the majority of patients with newly diagnosed LRPC chose AS. Although the input from their urologists was highly influential, several patient decisional and psychological factors were independently associated with AS uptake. These data shed new light on potentially modifiable factors that can help further increase AS uptake among patients with LRPC.
Controlled Self‐Assembly of Natural Polyphenols Driven by Multiple Molecular Interactions
Authors: Yin Yun , Zhang Yajing , Xie Qiuping , He Yunxiang , Guo Junling
Published: January 2024

Nature has exhibited a high degree of control over the structures and functions. Supramolecules have been utilized to mimic the subtle assembly in nature. However, sophisticated synthesis of molecular skeletons or programmable design of the driving forces raises great challenges in fabricating high‐level superstructures in a controlled manner. Natural polyphenols show great promises as building blocks for a diverse of assemblies with controlled structures and functionalities. The intrinsically embedded phenolic groups (i. e., catechol and galloyl groups) are readily forming multiple molecular interactions, including coordination, hydrogen bonding, and π–π interactions with various materials of inorganic particles, organic compounds, synthetic polymers, and biomacromolecules, providing the self‐assembled structures or nanocoating on surfaces. Subsequent assembly occurred by further bonding of polyphenols to construct supraparticles. To gain control over the self‐assembly, the key lies in the interplay among the molecular interactions with one or two being dominant. In this Perspective, we introduce the representative polyphenol‐based assemblies and their derived supraparticles to exhibit the effective harness of the controlled self‐assembly by polyphenols.
Zwitterionic Materials for Enhanced Battery Electrolytes
Authors: Alsaedi Mossab K. , Like Bricker D. , Wieck Karl W. , Panzer Matthew J.
Published: January 2024

Zwitterions (ZIs), which are molecules bearing an equal number of positive and negative charges and typically possessing large dipole moments, can play an important role in improving the characteristics of a wide variety of novel battery electrolytes. Significant Coulombic interactions among ZI charged groups and any mobile ions present can lead to several beneficial phenomena within electrolytes, such as increased salt dissociation, the formation of ordered pathways for ion transport, and enhanced mechanical robustness. In some cases, ZI additives can also boost electrochemical stability at the electrolyte/electrode interface and enable longer battery cycling. Here, a brief summary of selected key historical and recent advances in the use of ZI materials to enrich the performance of three distinct classes of battery electrolytes is presented. These include: ionic liquid‐based, conventional solvent‐based, and solid matrix‐based (non‐ceramic) electrolytes. Exploring a greater chemical diversity of ZI types and electrolyte pairings will likely lead to more discoveries that can empower next‐generation battery designs in the years to come.
Population Pharmacokinetics of Pediatric Lopinavir/Ritonavir Oral Pellets in Children Living with HIV in Africa
Authors: Chupradit Suthunya , Wamalwa Dalton C. , Maleche‐Obimbo Elizabeth , Kekitiinwa Adeodata R. , Mwanga‐Amumpaire Juliet , Bukusi Elizabeth A. , Nyandiko Winstone M. , Mbuthia Joseph K. , Swanson Alistair ,   the DNDi Clinical Team, Cressey Tim R. , Punyawudho Baralee , Musiime Victor ,   for the LIVING Study Team
Published: January 2024

Antiretroviral therapy for children living with HIV (CLHIV) under 3 years of age commonly includes lopinavir/ritonavir (LPV/r). However, the original liquid LPV/r formulation has taste and cold storage difficulties. To address these challenges, LPV/r oral pellets have been developed. These pellets can be mixed with milk or food for administration and do not require refrigeration. We developed the population pharmacokinetic (PK) model and assessed drug exposure of LPV/r oral pellets administered twice daily to CLHIV per World Health Organization (WHO) weight bands. The PK analysis included Kenyan and Ugandan children participating in the LIVING studies (NCT02346487) receiving LPV/r pellets (40/10 mg) and ABC/3TC (60/30 mg) dispersible tablets. Population PK models were developed for lopinavir (LPV) and ritonavir (RTV) to evaluate the impact of RTV on the oral clearance (CL/F) of LPV. The data obtained from the study were analyzed using nonlinear mixed‐effects modeling approach. Data from 514 children, comprising a total of 2,998 plasma concentrations of LPV/r were included in the analysis. The LPV and RTV concentrations were accurately represented by a one‐compartment model with first‐order absorption (incorporating a lag‐time) and elimination. Body weight influenced LPV and RTV PK parameters. The impact of RTV concentrations on the CL/F of LPV was characterized using a maximum effect model. Simulation‐predicted target LPV exposures were achieved in children with this pellet formulation across the WHO weight bands. The LPV/r pellets dosed in accordance with WHO weight bands provide adequate LPV exposures in Kenyan and Ugandan children weighing 3.0 to 24.9 kg.
This is how they do it: A conflict management model in Oman
Authors: Dauletova Victoria , Al Rawas Saba , Al Rawas Eram , Al Balushi Abeer , Al Mamari Sheikha , Al Busaidi Adil S.
Published: January 2024

Oman and its conflict management model are the focus of this paper. This model has crystalized out of the three stand‐alone but complementary systems of conflict resolution which evolved in an ad hoc fashion: the institute of tribal leaders; the reconciliation committees; and the formal judicial system. These systems offer a foundation for the current efforts of the local people to sustain a peaceful co‐existence among the vibrant and ethnically diverse Omani communities known for their turbulent past. The analyzed data obtained from interviews with Omani tribal leaders, reconciliation committee members, and lawyers shed light on both the strengths of the conflict management model and the modern challenges which the model faces. The findings confirm that this model represents a coherent entity run by an integrated constitutional‐tribal order. They also suggest that the model serves as a state mechanism for balancing power between the country's major players—the government and the institute of tribal leaders. The novel contribution of this paper lies in linking the origin and philosophy of each system with the “mediation identity” of Oman's foreign policy.
Multi‐objective spectrum assignment in heterogeneous cognitive radio networks for internet of things
Authors: Farooq Umer , Ul Hasan Najam
Published: January 2024

Internet of Things (IoT) applications have massively increased in the last few years. Future‐generation IoTs are going to be massive in number, heterogeneous in nature, and extremely demanding in terms of computation and communication requirements. Therefore, effective techniques are needed to optimize the use of scarce communication resources. This work proposes a novel multi‐objective framework to investigate the channel assignment problem in cognitive radio network (CRN)‐based IoT applications. The multi‐objective optimization framework comprises three objective functions. The first objective aims to maximize the overall system throughput fairness, the second objective aims to maximize the overall system residual energy, and the third objective aims to increase the user satisfaction level by maximizing the overall priority index. The problem of channel assignment is modeled and solved using Mixed Integer Linear Programming (MILP) and ‐constraint technique. This technique generates a set of Pareto efficient solutions, and an optimal solution among these solutions is selected using a fuzzy logic decision mechanism. Moreover, power level selection is incorporated by solving the problem multiple times for different power levels and obtaining a preferred solution for each power level. The simulations are conducted to unveil an interesting trade‐off between the conflicting system design objectives, that is, the overall throughput and the overall residual energy while incorporating the significance of primary user (PU) activity when preforming channel assignment in CRN.
Vitamin B6 and vitamin D deficiency co‐occurrence in geriatric memory patients
Authors: Przybelski Anna G. , Bendlin Barbara B. , Jones Jana E. , Vogt Nicholas M. , Przybelski Robert J.
Published: January 2024

INTRODUCTION

Vitamin B6 and D levels are not assessed routinely in geriatric memory patients. This study examined vitamin levels to determine the potential effects on cognition.

METHODS

A chart review was conducted of 203 consecutive patients over a 12‐month period. Levels of vitamins B1, B6, B12, and D were obtained on the day of clinic to identify deficiencies. A mental status exam (Mini Mental State Examination [MMSE]) was also performed.

RESULTS

One hundred sixty‐seven patients had one or more vitamin levels obtained on the day of clinical evaluation. Vitamin B6 deficiency was the most common (37.5%), followed by vitamin D deficiency (36.8%). A chi‐square test revealed significant co‐occurrence of deficiency of vitamins B6 and D (p < 0.001). Vitamin B6 and D deficiencies were associated with lower MMSE scores (p < 0.05).

DISCUSSION

Vitamin B6 and D deficiencies are common in geriatric patients. The coexistence of these vitamin deficiencies has a significant association with cognitive performance, indicating the clinical importance of monitoring and supplementation.
Characterization of DNA concentration in urine and dried blood samples to detect the c.577 deletion within the EPO gene
Authors: Leuenberger Nicolas , Jan Nicolas , Kuuranne Tiia , Castella Vincent
Published: January 2024

The EPO gene variant, c.577del (VAR‐EPO), was discovered in the Chinese population in 2021. The mutated protein is naturally present in urine from individuals heterozygous for the variant. Electrophoresis methods currently applied in anti‐doping laboratories produce a pattern in samples from individuals carrying VAR‐EPO that cannot be unambiguously distinguished from individuals who received recombinant EPO doses. Consequently, the analysis of blood samples is obligatory to facilitate interpretation of suspicious findings from urine samples. However, this complicates the process and delays the reporting. Objective of this study was to develop EPO c.577del detection in urine and dried blood samples (DBS) in order to facilitate and accelerate EPO results management. Moreover, estimation of the success rate of sequencing regarding concentration of DNA in urine and DBS was evaluated. Conclusive results regarding Sanger sequencing were obtained for all samples with DNA concentrations above 0.024 ng/μL DNA in 80% of urines samples from volunteers. The potential success of DNA sequencing rate in athletes' urines was investigated. A total of 191 urine samples were considered. DNA concentration exceeding 0.024 ng/μL was detected in 85% of the samples. Interestingly, in‐competition samples had a significantly higher DNA concentration than out‐of‐competition male urine samples (0.330 vs. 0.084 ng/μL). Moreover, conclusive EPO sequences were obtained for 100% of DBS (cellulose and polymer matrices). In conclusion, method for detection of EPO gene variant was developed in urine and DBS. Characterization of DNA concentration was performed in order to evaluate the probability of success of sequencing EPO gene in anti‐doping field.
Characterisation of putative novel tick viruses and zoonotic risk prediction
Authors: Lin Yuting , Pascall David J.
Published: January 2024

Tick‐associated viruses remain a substantial zoonotic risk worldwide, so knowledge of the diversity of tick viruses has potential health consequences. Despite their importance, large amounts of sequences in public data sets from tick meta‐genomic and ‐transcriptomic projects remain unannotated, sequence data that could contain undocumented viruses. Through data mining and bioinformatic analysis of more than 37,800 public meta‐genomic and ‐transcriptomic data sets, we found 83 unannotated contigs exhibiting high identity with known tick viruses. These putative viral contigs were classified into three RNA viral families (Alphatetraviridae, Orthomyxoviridae and Chuviridae) and one DNA viral family (Asfarviridae). After manual checking of quality and dissimilarity towards other sequences in the data set, these 83 contigs were reduced to five contigs in the Alphatetraviridae from four putative viruses, four in the Orthomyxoviridae from two putative viruses and one in the Chuviridae which clustered with known tick‐associated viruses, forming a separate clade within the viral families. We further attempted to assess which previously known tick viruses likely represent zoonotic risks and thus deserve further investigation. We ranked the human infection potential of 133 known tick‐associated viruses using a genome composition‐based machine learning model. We found five high‐risk tick‐associated viruses (Langat virus, Lonestar tick chuvirus 1, Grotenhout virus, Taggert virus and Johnston Atoll virus) that have not been known to infect human and two viral families (Nairoviridae and Phenuiviridae) that contain a large proportion of potential zoonotic tick‐associated viruses. This adds to the knowledge of tick virus diversity and highlights the importance of surveillance of newly emerging tick‐associated diseases.
Influence of mountain pine beetle outbreaks on large fires in British Columbia
Authors: Woo Hyeyoung , Bone Christopher , Nadeem Khurram , Taylor Stephen W.
Published: January 2024

A key uncertainty in understanding climate change effects on wildfires in western North America is the role of mountain pine beetle (MPB) outbreaks in driving wildfire occurrence and severity. In this study, we investigated the complex relationship between MPB outbreaks, other environmental factors, and wildfire occurrence in British Columbia (BC), Canada. We adopted a fire risk analysis method developed for fire occurrence prediction to separate the effect of changing fuel conditions on wildfires in BC when neither post‐outbreak fuel conditions, climate, nor management is stationary. Using lasso‐logistic regression and a novel variable ranking procedure, we determined that MPB‐affected areas had 1.7 times more large lightning‐caused fires (≥100 ha), as the likelihood of large lightning‐caused fires increased by 40% in these areas and likely contributed to the increased burned areas in BC. Meanwhile, the likelihood of large human‐caused fires decreased in MPB‐affected areas. Fire weather factors were most influential for both lightning‐ and human‐caused fires, while anthropogenic factors were most influential for human‐caused fires. Fuel dynamics following MPB outbreaks vary across the wide distribution of a host species such as lodgepole pine, at stand and landscape levels. Furthermore, the expression of the effects of MPB and other disturbances on wildfire is also conditional on, as well as confounded with, many other environmental factors and management activities that vary across western North America. Therefore, a lack of consensus on the impacts of MPB on wildfire is not surprising.