bluuebunny/crossref_metadata_2025 huggingface dataset:
Room Temperature Halide‐Eutectic Solid Electrolytes with Viscous Feature and Ultrahigh Ionic Conductivity
Authors: Xu Ruonan , Yao Jingming , Zhang Ziqi , Li Lin , Wang Zhenyu , Song Dawei , Yan Xinlin , Yu Chuang , Zhang Long
Published: October 2022

A viscous feature is beneficial for a solid electrolyte with respect to assembling solid‐state batteries, which can change the solid‐solid contacts from point to face. Here, novel halide‐based deep eutectic solid electrolytes (DESEs) prepared by a facile ball milling method is reported. The mixture of halides triggers the deep eutectic phenomena by intermolecular interactions, leading to diverse morphologies and viscous statuses in terms of composition. Chemical‐ and micro‐structure analyses via the cryogenic technique reveal that the LiCl and LiF nanoparticles are dispersed in an amorphous halide matrix, which endow freely mobile ions for fast ion transport. The optimized DESE thus achieves low activation energy and high ionic conductivity of 16 mS cm−1 at room temperature, one of the highest values among various electrolytes so far. By integrating with the active materials to form a composite cathode, the viscous DESE yields a super‐dense composite pellet which possesses intensively enhanced ionic conductivity in contrast to those formed by the sulfide‐based electrolyte additives, demonstrating an attractive application prospect.
Interfacial Electron Redistribution on Lattice‐Matching NiS2/NiSe2 Homologous Heterocages with Dual‐Phase Synergy to Tune the Formation Routes of Li2O2
Authors: Han Xue , Zhao Lanling , Liang Yanjie , Wang Jun , Long Yuxin , Zhou Zhaorui , Zhang Yiming , Li Yebing , Ma Jianmin
Published: October 2022

Li–O2 batteries (LOBs) exhibit ultrahigh theoretical energy density, but sluggish reaction kinetics and adverse parasitic reactions seriously hinder their further development. It is thus urgent to exploit cost‐effective and durable electrocatalysts to perfect LOBs performance and promote their practical application. In this work, lattice‐matching composites are synthesized based on homologous heterostructure (HHS) with hollow nanocage‐like architecture. As expected, the unique architecture with built‐in electric fields of NiS2/NiSe2 HHS enables the rapid transfer of electron/ions, favorable electrolyte permeation on the cathode surfaces, and provides sufficient active sites for oxygen evolution reaction and oxygen reduction reaction. Moreover, the constructs NiS2/NiSe2 HHS can evidently catalyze the formation of dispersed platelet‐shape and fluffy film‐like Li2O2 discharge products via the surface/solution routes due to the greatly reduced adsorption energy of the LiO2 intermediates on the built‐in electric fields, while the NiS2 and NiSe2 counterparts induce the formation of Li2O2 films by the surface path, limiting its electrocatalytic activities. These results suggest that lattice‐matching HHS engineering of cathode catalysts can be an effective approach to tuning the Li2O2 formation, which holds attractive and great application prospects in the development of high‐performance LOBs.
Superior Thermoelectric Performance of Black Phosphorus in Elemental Tellurium
Authors: Yang Manman , Li Xiangjun , Duan Shuai , Zhang Xiaoran , Sun Hairui , Chen Xin , Su Taichao , Gu Lin , Liu Xiaobing
Published: October 2022

Simple elemental thermoelectrics are an ideal platform to demonstrate fundamental physics in materials and develop new strategies for high‐efficiency energy conversion devices. Recently, black phosphorus (BP) is theoretically predicted as a superior thermoelectric candidate, however it meets a great challenge in practical application because of its poor stability. Here, it is reported that the BP phase can be stabilized from 300 to 610 K through creation of a heterojunction structure in Te‐based thermoelectrics, leading to simultaneously enhanced electrical behaviors and reduced thermal conductivity. The peak and average zT values at a temperature range of 300–610 K are increased by 49% and 30% in (Sb, Se, Ge)Te‐BP system, respectively. Maximum zT up to 1.1 at 610 K has been achieved, as the highest value in elemental Te‐based thermoelectrics throughout the measured temperature region. This study clarifies the multiple benefits of engineering a heterojunction structure in independently modulating the coupled parameters, and opens up a pathway searching high performance thermoelectric materials in BP‐based structures.
Living with children and food insecurity in seniors
Authors: Butcher Kristin F. , Schmidt Lucie , Shore‐Sheppard Lara , Watson Tara
Published: October 2022

In 2019, more than 7% of seniors (ages 60+) lived with a child under the age of 18. We examine how the presence of children in senior households relates to food insecurity and Supplemental Nutrition Assistance Program (SNAP) participation. We find that seniors living with children are more food insecure and have higher SNAP participation than other seniors, even after accounting for poverty status and other observable characteristics. The prevalence of multi‐generation and skip‐generation households explains, statistically, a small share of race/ethnicity gaps in food insecurity and SNAP. Changing living arrangements are an important consideration in addressing food insecurity among seniors.
Cover crop planting practices determine their performance in the U.S. Corn Belt
Authors: Koehler‐Cole Katja , Elmore Roger W. , Blanco‐Canqui Humberto , Francis Charles A. , Shapiro Charles A. , Proctor Christopher A. , Ruis Sabrina J. , Irmak Suat , Heeren Derek M.
Published: October 2022

Cover crop growing periods in the western U.S. Corn Belt could be extended by planting earlier. We evaluated both pre‐harvest broadcast interseeding and post‐harvest drilling of the following cover crops: (a) cereal rye (Secale cereale L.) [RYE]; (b) a mix of rye + legumes + brassicas [MIX1], (c) a mix of rye + oat [Avena sativa L.] + legumes + brassicas (MIX2), (d) legumes [LEGU]) and (e) a no cover crop control. These were tested in continuous corn (Zea mays L.) [corn–corn] and soybean [Glycine max (L.) Merr.]–corn systems [soybean–corn] at three sites in Nebraska for their effect on cover crop productivity, soil nutrients, and subsequent corn performance. At the sites with wet fall weather, pre‐harvest broadcasting increased cover crop biomass by 90%, to 1.29 Mg ha−1 for RYE and 0.87 Mg ha−1 for MIX1 in soybean–corn, and to 0.56 Mg ha−1 and 0.39 Mg ha−1 in corn–corn, respectively. At the drier site, post‐harvest drilling increased biomass of RYE and MIX1 by 95% to 0.80 Mg ha−1 in soybean–corn. Biomass N uptake was highest in pre‐harvest RYE and MIX1 at two sites in soybean–corn (35 kg ha−1). RYE and sometimes mixes reduced soil N, but effects on P, K, and soil organic C were inconsistent. In soybean–corn, corn yields decreased by 4% after RYE, and in corn–corn, by 4% after pre‐harvest cover crops. Site‐specific selection of cover crops and planting practices can increase their performance while minimizing impacts on corn.
Controlled fabrication of drug‐loaded protein nanoparticles via flash nanoprecipitation
Authors: Zhao Hongyang , Wang Mingwei , Wang Xinming , Liu Jinbo , Xing Mengyuan , Huang Haiyan , Cohen Stuart Martien A. , Wang Junyou
Published: October 2022

Protein nanoparticles (NPs) are perspective vehicles for delivery of therapeutic agents. However, whether they will ever reach the stage of widespread application relies crucially on the development of reliable fabrication strategies and techniques. Herein, we report a continuous precipitation approach, namely flash nanoprecipitation (FNP) for efficient construction of drug‐loaded protein NPs with regulated size and properties. Our design relies on rapid mixing of solvent streams containing drug and protein with anti‐solvent streams which triggers co‐precipitation of the solutes and creates NPs by controlled nucleation and growth. The established process is generally capable for controlled formulation of diverse drug‐loaded protein NPs. Our results validate the distinctive advantages of FNP over conventional precipitation approaches, including fast process, continuous production and excellent control of product size and properties. FNP is therefore likely to be the method of choice for preparing nanosized dispersions of hydrophobic drugs or food additives on an industrial scale.
Exceptionally effective H2S absorption and conversion into thiols in novel superbase protic ionic liquids
Authors: Liu Ping , Cai Kaixing , Liu Mao , Liu Fei , Chen Peng , Zhao Tianxiang
Published: October 2022

We demonstrate an effective strategy for capture and conversion of H2S in novel superbase protic ionic liquids (SPILs). It is found that the synthesized SPILs with the multiple active sites exhibit the unprecedented H2S uptake via chemical absorption (up to 1.81 mol mol−1 at 298.2 K and 1 bar). More importantly, H2S molecule is activated by these SPILs during the absorption process, so that the activated H2S can be converted further into high value‐added thiols in situ with excellent yields under mild conditions (303.2 K and 1 bar) without any solvents and metallic catalysts. Since H2S‐saturated SPILs can be regenerated by chemical conversion of absorbed H2S into thiols, thereby eliminating the higher input of energy consumption during the process of H2S stripping. This SPIL‐mediated scheme provides an alternative approach for the capture and chemical conversion of H2S.
Machine learning‐assisted multiscale modeling of an autothermal fixed‐bed reactor for methanol to propylene process
Authors: Huang Xun , Li Xue‐Gang , Xiao Wen‐De , Wei Zidong
Published: October 2022

The current commercial multistage reactor for methanol to propylene (MTP) process suffers from poor propylene selectivity and catalyst efficiency, mainly because of the low inlet methanol concentration and long residence time. In this work, we proposed an autothermal co‐current flow reactor for MTP process, where the reaction heat is continuously removed through heat exchange with cold reactants, thus single‐stage reactor can be used with higher methanol inlet concentration. The reactor feasibility was investigated by a three‐dimensional multiscale model, in which the diffusion–reaction interaction inside catalyst particle was described by a neural network model trained by machine learning. With the feeding methanol fraction increasing to 30%, propylene selectivity reaches 82.27% while the space velocity approaches 2.68 gMeOH gcat−1 h−1 at 99.97% methanol conversion, about 1.4 and 3.8 times those of a commercial multibed reactor, respectively. With proper catalyst bed dilution, the reaction temperature is well controlled between 700 and 754 K.
Preventing and responding to harm: Restorative and responsive mental health regulation in Victoria
Authors: Katterl Simon
Published: October 2022

Mental health systems are built on imperfect foundations. Rather than reflect the “dark old days” of psychiatry, mental health systems, still, commit wide‐spread breaches of mental health and human rights laws. During such time, mental health regulators have failed to adequately enforce mental health laws and respond to harms in ways that are transparent and include the community. The Victorian mental health system, with the Mental Health Complaints Commissioner as the principal regulator, provides a case‐in‐point. Following a Royal Commission into Victoria's Mental Health System, the state government will dissolve the current regulator and establish a new Mental Health and Wellbeing Commission, with enhanced powers. This paper argues that this new regulator should adopt a more conscious implementation of restorative justice and responsive regulation, termed here restorative and responsive regulation. Of particular value is the use of restorative practices such as conferences and an augmenting of sentencing circles within a broader responsive regulatory framework.
A novel lanthanum‐based phosphorus‐containing flame retardant agent and its application in polylactic acid
Authors: Zhang Yan , Lin Fenglong , Wu Yincai , Wang Shenglong , Liu Ziteng , Song Lijun
Published: October 2022

Currently, intumescent flame retardants (IFR) are often used in the flame retardant modification of polylactic acid (PLA). Due to the high loading, it will weaken the mechanical properties of PLA. In this study, lamellar lanthanum‐based DOPO derivative (La@DDP) is prepared by solution method, and it acts as a flame retardant agent was added into PLA with IFR. The results show that PLA composite passes the UL94 V‐0 rating with a limiting oxygen index (LOI) of 32.0, in the addition of 4.5 wt% IFR and 1.5 wt% La@DDP. Moreover, the peak heat release rate (PHRR) and total heat release (THR) of the PLA composite reduces by 31.0% and 23.2% compared to pure PLA, respectively. IFR/La@DDP agents assign the PLA composite with excellent thermal stability and carbon‐forming ability. Through the analysis of residual char, the synergistic flame retardant mechanism between IFR and La@DDP in PLA composite is discussed. Notably, the tensile strength and elongation at break of the PLA composites are only reduced by 4.03% and 9.51% compared to pure PLA. This work provides a novel lanthanum‐based flame retardant agent for designing PLA composites with good fire safety and mechanical properties, and it will broaden the application range of PLA.
Synthesis of benzylated amine‐substituted xanthone derivatives and their antioxidant and anti‐inflammatory activities
Authors: Wong Ka Woong , Teh Soek Sin , Law Kung Pui , Ismail Intan Safinar , Sato Kohei , Mase Nobuyuki , Mah Siau Hui
Published: October 2022

Oxidative stress and its constant companion, inflammation, play a critical part in the pathogenesis of many acute and chronic illnesses. The discovery of new multi‐targeted drug candidates with antioxidant and anti‐inflammatory properties is deemed necessary. Thus, a series of novel xanthone derivatives with halogenated benzyl (4b–4d, 4f–4h) and methoxylated benzyl groups (4e) attached to the butoxy amine substituent were synthesized in this study. The synthesized xanthone derivatives exhibited stronger antioxidant activity against H2O2 scavenging than the standard drug, α‐tocopherol, but weaker towards DPPH scavenging and ferrous ion chelation. Besides that, 4b–4d, 4f–4h demonstrated good anti‐inflammatory activities through NO production inhibition towards lipopolysaccharide (LPS)‐induced RAW 264.7 cells and showed 2–4 times stronger effects than the standard drug, diclofenac sodium. Moreover, compound 4b with two brominated benzyl groups attached to the butoxy amine substituent suppressed the production of pro‐inflammatory cytokines, TNF‐α and IL‐1β, significantly. Structure–activity relationship elucidated that the halogenated benzylamine substituent plays an important role in contributing the antioxidant and anti‐inflammatory activities of xanthones. In summary, xanthone 4b was identified as a potential lead compound to be further developed into antioxidant and anti‐inflammatory drugs. Thus, further studies on the related mechanisms of action of 4b are recommended.
Ground Penetrating Radar detection of unmarked historic graves at the Fairlawn Cemetery in Stillwater, Oklahoma
Authors: Diab Ahmed , Ismail Ahmed
Published: October 2022

Ground Penetrating Radar (GPR) survey was conducted to detect historic unmarked graves from the period of the Civil War (1861–1865) at the Fairlawn Cemetery in Stillwater, Oklahoma. The GPR survey at the Fairlawn Cemetery will help preserve the unmarked historic graves if they exist or clear sections of the cemetery for possible expansion. GPR detection of historic graves are often a challenge as these graves are made of wooden boxes, bones and coffins, with no metal caskets or concrete burial vaults. It was even more challenging to detect unmarked graves in this study as the cemetery is covered with iron‐rich silty clay soil, which attenuates the GPR signals. We conducted the GPR survey along a grid consisting of 44 parallel 30‐m‐long profiles spaced at 50‐cm intervals using the 400‐MHz antenna. The acquired GPR data were processed as 2D profiles and produced a pseudo‐3D GPR volume to resolve the unmarked graves. Multiple features extracted from the pseudo‐3D volume at depths ranging from 0.7 to 1.3 m aligned along three north–south rows. Based on the dimensions, orientation, distribution and depth of burial of the anomalous features relative to the recent graves, we interpreted these features as unmarked graves. This study has demonstrated the GPR as an effective non‐invasive technique in detecting historical unmarked graves that contain no metal caskets or concrete burial vaults. This work will contribute not only to the science of historical archaeology but also to prehistorical archaeology, as caskets were not typically part of the prehistorical burials, and the modern‐day archaeology, particularly in the cases of mass graves in recent conflicts.
Adaptive prescribed time control for quadrotor formation with stochastic links failure
Authors: Shang Wei , Jing Guohao , Wang Yulin , Chen Tianlong , Liu Zhou , Zheng Zhongzhong
Published: October 2022

The formation control for multiple quadrotors subject to maintaining the formation configuration and collision avoidance in the situation of stochastic links failure is investigated in this paper. First, the distributed formation controller is designed, the position controller is developed to manage the desired formation of position, and the attitude controller is developed to control the translation and rotation movements of the quadrotor. Then, in order to avoid the collisions between multiple quadrotors and the obstacles, a potential energy function method is introduced into the quadrotor formation control combined with the nest adaptive control. Inspired by the design of event trigger controller, a communication compensation controller is designed to ensure the stability of quadrotor formation under the condition of random communication interruption and recovery. Moreover, a prescribed time function is designed, which means the convergence time of the formation system can be set in advance. The prescribed time stability of the formation control system is proved by Lyapunov theory. Finally, the simulation results verify the effectiveness and superiority of this method.
An improved adaptive FastSLAM algorithm with time‐varying noise estimator
Authors: Karaçam Serhat , Navruz Tuğba Selcen
Published: October 2022

In this study, an adaptive FastSLAM (AFastSLAM) algorithm, which is obtained by estimating the time‐varying noise statistics and improving FastSLAM algorithm, is proposed. This improvement was accomplished by using maximum likelihood estimation and expectation maximization criterion and a one‐step smoothing algorithm in importance sampling. In addition, innovation covariance estimation (ICE) method was used to prevent loss of positive definiteness of the process and measurement noise covariance matrices. The proposed method was compared with FastSLAM by calculating the root mean square error (RMSE) using different particle numbers at varying initial process and measurement noise values. Simulation studies have shown that AFastSLAM provides much more accurate, consistent, and successful estimates than FastSLAM for both robot and landmark positions.
A comparative analysis of the cumulative greenhouse gas emissions and financial viability of residential heating systems located in New York state
Authors: Frank Jenny , Brown Tristan , Ha HakSoo , Slade Dave , Haverly Martin , Malmsheimer Robert
Published: October 2022

Achieving the stringent climate goals established by New York State will require significant emissions reductions across the agriculture, commercial and residential, electricity, industry and transportation sectors. This study analyzed the residential heating sector and quantified the environmental and financial impacts of four different residential heating pathways for buildings located in New York State. A conventional ultra‐low sulfur diesel pathway served as the baseline scenario against which three low‐carbon alternative pathways were compared: (1) a ‘bioheat’ scenario in which biomass‐based diesel is blended with heating oil; (2) a natural gas scenario; and (3) an electric scenario (air‐source heat pump). The low‐carbon alternative heating pathways incorporate the social cost of carbon as an internalized financial benefit from the conventional ultra‐low sulfur diesel baseline scenario. The bioheat pathway yielded the highest net present value (NPV) at $3 684 513 and the electric (air‐source heat pump) pathway had a NPV of $3 618 229. The electric and bioheat scenarios yielded the lowest and second lowest total cumulative emissions at 28545 Mt CO2e and 51 438 Mt CO2e, respectively. This study also incorporated a comprehensive sensitivity analysis to depict the impact of: NPV discount rates, fuel costs, carbon intensity values, system installation costs and social cost of carbon values. The study provides policymakers, researchers and other interested stakeholders with a comparison of the environmental and financial impacts of diverse residential heating systems. © 2022 Society of Chemical Industry and John Wiley & Sons, Ltd.
Scramblases and virus infection
Authors: Tang Dan , Wang Yichang , Dong Xiuju , Yuan Yiqiong , Kang Fanchen , Tian Weidong , Wang Kunjie , Li Hong , Qi Shiqian
Published: October 2022

The asymmetric distribution of lipids, maintained by flippases/floppases and scramblases, plays a pivotal role in various physiologic processes. Scramblases are proteins that move phospholipids between the leaflets of the lipid bilayer of the cellular membrane in an energy‐independent manner. Recent studies have indicated that viral infection is closely related to cellular lipid distribution. The level and distribution of phosphatidylserine (PtdSer) in cells have been demonstrated to be critical regulators of viral infections. Previous studies have supported that the infection of human immunodeficiency virus (HIV), Zika virus, Ebola virus (EBOV), influenza virus, and dengue fever virus require the externalization of phospholipids mediated by scramblases, which are also involved in the pathogenicity of the pandemic severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2). In this review, we review the relationship of scramblases with viruses and the potential viral effector proteins that might utilize host scramblases.
Single‐molecule approaches reveal outer membrane protein biogenesis dynamics
Authors: Svirina Anna , Chamachi Neharika , Schlierf Michael
Published: October 2022

Outer membrane proteins (OMPs) maintain the viability of Gram‐negative bacteria by functioning as receptors, transporters, ion channels, lipases, and porins. Folding and assembly of OMPs involves synchronized action of chaperones and multi‐protein machineries which escort the highly hydrophobic polypeptides to their target outer membrane in a folding competent state. Previous studies have identified proteins and their involvement along the OMP biogenesis pathway. Yet, the mechanisms of action and the intriguing ability of all these molecular machines to work without the typical cellular energy source of ATP, but solely based on thermodynamic principles, are still not well understood. Here, we highlight how different single‐molecule studies can shed additional light on the mechanisms and kinetics of OMP biogenesis.
A reversed‐phase‐high performance liquid chromatography method for simultaneous determination of paracetamol, caffeine, drotaverine HCl and their related impurities with dissolution profiling of their tablets and greenness profile assessment
Authors: Tawfik Samia A. , El‐Ragehy Nariman A. , Hegazy Maha A. , Sedik Ghada A.
Published: October 2022

A sensitive, specific and eco‐friendly reversed‐phase‐HPLC method was developed and validated for the determination of paracetamol, caffeine and drotaverine HCl along with their related impurities. The separation was accomplished using an X‐bridge C18 column (5 μm; 250 mm × 4.6 mm inner diameter) and a green mobile phase consisting of methanol and 0.02 M phosphate buffer at pH 5.0 in the gradient elution mode. The detector used was a diode array detector. The proposed method was validated in accordance with the International Conference on Harmonisation guidelines. Linear regressions were found in the range of 1–100, 1–100, 2–60, 1–20, 0.50–30 and 1–15 μg/mL for paracetamol, caffeine, drotaverine HCl, p‐aminophenol, theophylline and 3,4‐dimethoxyphenylacetic acid, respectively. The suggested method was successfully applied for the determination of the studied drugs in their tablet dosage form without interference from any excipients. No discernible difference was found between the obtained results and official or reported methods, statistically, in terms of both accuracy and precision. Dissolution profiling of the studied tablet was also performed using the suggested procedure. Moreover, the greenness profile was assessed using three different tools, namely, the National Environmental Methods Index, the Analytical Eco‐Scale and the Analytical GREEnness Metric Approach. The acquired results assert the agreement of the assay with green chemistry principles.
Bioactivity and Cell Imaging of Antitumor Fluorescent Agents (Curcumin Derivatives) Coated by Two‐Way Embedded Cyclodextrin Strategy
Authors: Liu Ying , Hu Kaibo , Lian Guangchang , Zhou Meng , Lu Chichong , Jin Guofan
Published: October 2022

Curcumin has a wide range of pharmacological activities, which can be used to treat tumors, inflammation and other diseases. However, curcumin's poor solubility and low bioavailability limit its application. In this article, the structure of curcumin was modified with boron trifluoride ether to change fluorescent labeling. The compounds were then embedded into the hydrophobic cavity of α‐cyclodextrin and hydroxypropyl β‐cyclodextrin to form inclusion complexes. The two inclusion complexes have excellent photophysical properties, and the maximum emission wavelength is in the range of 550–565 nm. In addition, the two compounds were applied to the fluorescence imaging of HCT‐116 cells and HeLa cells, and the proliferation toxicity of the compounds was detected. Both compounds showed certain inhibitory effects on the proliferation of cancer cells. In short, the fluorescent drug molecule synthesized in this article has great reference value for the development of new dosage forms of curcumin.
Dioxetane Derivative Containing Carboxy Group as a Chemiluminophore‐Introducing Reagent
Authors: Nohara Yukie , Masuda Shun , Kaneda‐Nakashima Kazuko , Shirakami Yoshifumi , Matsumoto Masakatsu , Yoshiya Taku
Published: October 2022

Some types of dioxetanes are called chemiluminophores because they produce luminescence light without the use of enzymes. Here, we designed and synthesized a novel carboxy group‐containing chemiluminophore derivative, which enabled the simple introduction of such a chemiluminophore to the molecule of interest. Furthermore, we demonstrate that the in vivo imaging system (IVIS imaging system) can recognize tagged chemicals, indicating that such a chemiluminophore could be employed as a tracer molecule for biological studies.
Electrostatic CH−π Interactions Can Override FluorineGaucheEffects To Exert Conformational Control
Authors: Emenike Bright U. , Farshadmand Amiel , Zeller Matthias , Roman Armando J. , Sevimler Arzu , Shinn David W.
Published: October 2022

Fluorinegaucheeffects are conformational properties of 2‐fluoroethanes often applied in modern molecular designs. However, the physical origins of fluorinegaucheeffects are not well understood, with the consensus favoring the established hyperconjugation theory over an emerging electrostatic model. Using a series of model systems, we show that a shift to fluorinegaucheeffects can be influenced by intramolecular CH⋅⋅⋅π aromatic interactions, a through‐space event. Modulating the π‐ring (forming the aromatic interaction) with substituent groups resulted in a linear Hammett relationship, thus indicating that the CH⋅⋅⋅π interaction has electrostatic features. For instance, attaching a nitro group (an electron‐withdrawing substituent) to the π‐ring weakened the CH⋅⋅⋅π interaction and led to agauchepreference, whereas ananticonformer is preferred with amine as substituent. The experimental results performed by using proton NMR spectroscopy are corroborated by gas‐phase DFT calculations and solid‐state X‐ray crystallography.
Benchmarking a DEM‐CFD Model of an Optical Belt Sorter by Experimental Comparison
Authors: Bauer Albert , Maier Georg , Reith‐Braun Marcel , Kruggel‐Emden Harald , Pfaff Florian , Gruna Robin , Hanebeck Uwe , Längle Thomas
Published: October 2022

A DEM‐CFD (discrete element method ‐ computational fluid dynamics) model of an optical belt sorter was extensively compared with experiments of a laboratory‐scale sorter to assess the model's accuracy. Brick and sand‐lime brick were considered as materials. First, the transport characteristics on the conveyor belt, involving mass flow, lateral particle distribution and proximity, were compared. Second, sorting results were benchmarked for varying mixture proportions at differing mass flows. It was found that the numerical model is able to reproduce the experimental results with high accuracy.
Die Tränen des Weins – intelligente Tropfen aus ternären Mischungen
Authors: Feil Sylvia
Published: October 2022

Wer ein Weinglas schwenkt und wieder abstellt, kann anschließend Schlieren beobachten: Die Flüssigkeit strömt nicht gleichmäßig verteilt über die benetzte Oberfläche, sondern kontrahiert und bildet Schlieren bis hin zu Tropfen, die wie Tränen aussehen und daher auch so genannt werden. Dieser augenscheinlichen Selbstorganisation des Weines liegt der Marangoni‐Effekt zugrunde. Nun wurde erstmals anhand eines Drei‐Komponenten‐Gemisches gezeigt, dass dieser Effekt die Benetzungsbewegung von Tropfen auch umkehren kann. Interessant ist das für die Reinigung sensibler Oberflächen wie Mikrochips.
Multi‐Method Characterization of the High‐Entropy Spinel Oxide Mn0.2Co0.2Ni0.2Cu0.2Zn0.2Fe2O4: Entropy Evidence, Microstructure, and Magnetic Properties
Authors: Senkale Svenja , Kamp Marius , Mangold Stefan , Indris Sylvio , Kienle Lorenz , Kremer Reinhard K. , Bensch Wolfgang
Published: October 2022

The novel spinel Cu0.2Co0.2Mn0.2Ni0.2Zn0.2Fe2O4 comprising six transition metal cations was successfully prepared by a solution‐combustion method followed by distinct thermal treatments. The entropic stabilization of this hexa‐metallic material is demonstrated using in situ high temperature powder X‐ray diffraction (PXRD) and directed removal of some of the constituting elements. Thorough evaluation of the PXRD data yields sizes of coherently scattering domains in the nanometre‐range. Transmission electron microscopy based methods support this finding and indicate a homogeneous distribution of the elements in the samples. The combination of 57Fe Mössbauer spectroscopy with X‐ray absorption near edge spectroscopy allowed determination of the cation occupancy on the tetrahedral and octahedral sites in the cubic spinel structure. Magnetic studies show long‐range magnetic exchange interactions which are of ferri‐ or ferromagnetic nature with an exceptionally high saturation magnetization in the range of 92–108 emu g−1 at low temperature, but also an anomaly in the hysteresis of a sample calcined at 500 °C.
Survival outcomes among colorectal cancer patients at Kenyatta National Hospital: A retrospective cohort study
Authors: Degu Amsalu , Karimi Peter N. , Opanga Sylvia A. , Nyamu David G.
Published: October 2022

Background

Colorectal cancer is a growing burden in Africa. However, survival for patients with colorectal cancer remains low in sub‐Saharan African countries, with the poorest survival, particularly at a late stage at diagnosis. Despite this, there is a paucity of sufficient data about the survival outcomes of colorectal cancer patients in Kenya.

Aims

This study aimed to determine the survival outcomes among colorectal cancer patients at Kenyatta National Hospital.

Methods and Results

A retrospective cohort study was employed among 232 eligible medical records of colorectal cancer patients. Simple random sampling was used to select the medical records of the patients. The included medical records of the study participants were followed up retrospectively from the date of primary cancer diagnosis until the last visit to the hospital. All relevant data, such as sociodemographics, clinical characteristics, and outcome‐measuring parameters, were recorded in the predesigned data abstraction tool by reviewing the documented clinical records of the patients. The data were entered and analyzed using International Business Machines (IBM) Statistical Package for the Social Sciences (SPSS) version 26 software. Mean, median, standard deviation, frequency tables, and figures were used to present the data. Kaplan Meier analyses were employed to determine survival outcomes. The mean age of the study participants was 54.1 ± 13.3 years, and the majority were males (126, 54.3%). Almost a third (34.1%) of patients had evidence of disease progression despite treatment in the follow‐up period, with 7.8% showing no response to therapy and 23.6% experiencing new distant metastasis. The survival rate dwindled from the first year (87.9%) to the fifth year (45.4%), and the mortality rate was 22.8%

Conclusion

There was a high mortality rate, disease progression, and distant metastasis in the last follow‐up period suggesting the need to strengthen the healthcare system by ensuring access to prevention, early diagnosis, and optimal treatment of colorectal cancer.
A Randomized, Open‐Label, Phase I Clinical Study of Dalpiciclib With Different Specifications After Process Modification in Healthy Chinese Volunteers
Authors: Tao Ye , Li Ting , Lin Pingping , Jiang Xin , Shi Ping , Fu Yao , Liu Xin , Wang Chenjing , Li Shaorong , Li Xiaofeng , Cao Yu
Published: October 2022

The purpose of this study was to determine the pharmacokinetic characteristics and safety of dalpiciclib at 100‐, 125‐, and 150‐mg doses after process modification in healthy Chinese volunteers. This single‐center, randomized, open‐label, three‐dose, phase I clinical study was conducted in healthy Chinese adults. Thirty‐six volunteers were randomized to three groups, including groups administered 100, 125, and 150 mg of dalpiciclib, and each group contained an equal number of males and females. A single oral dose of dalpiciclib was administered to each group, and plasma concentrations were measured by a validated liquid chromatography‐tandem mass spectrometry method. The oral formulation of dalpiciclib was well absorbed, the plasma concentration reached the maximum concentration (Cmax) in 4–6 hours, and it was eliminated from plasma with a mean terminal half‐life of 42.9–45.5 hours after 100–150 mg was administered. Dalpiciclib exhibited safety and favorable pharmacokinetic profiles, supporting further investigations in phase II studies. The plasma exposure of dalpiciclib was dose‐dependent, with increasing doses in the range of 100–150 mg.
An optimized radial bias function neural network for intrusion detection of distributed denial of service attack in the cloud
Authors: Varghese Meble , Victor Jose M.
Published: October 2022

Cloud system is a set of resources meant to provide cloud customers with on‐demand services. Accessibility to cloud environment is provided through internet services, making data stored on cloud more accessible to attackers internally and externally. Several intrusion detection systems and authentication methods have been developed in previous studies to identify the intruders, however they are generally unsuccessful with certain drawbacks. Numerous existing researchers have focused on machine learning techniques for identifying intrusions. This article intends to introduce a new intrusion detection model in the cloud and it involves three processes like preprocessing, feature extraction and detection. Initially, preprocessing takes place and the preprocessed data are subjected to feature extraction process. The flow‐based features, statistical, and higher‐order statistical features with improved holoentropy features, and the technical indicators are extracted. After extracting the features, they are subjected to a detection process, where the optimized radial bias function neural network (RBF‐NN) is exploited. For precise detection, the weight of RBF‐NN is tuned optimally by (harmonic mean based poor and rich optimization) HMPRO Algorithm. The main aim of the proposed model is to detect attacks in the cloud. Finally, the performance of the presented scheme is computed over the existing approaches using the CICDDoS2019 and UNSW‐NB_15 dataset in terms of different metrics.
On the Uses of PCA to Characterise Molecular Dynamics Simulations of Biological Macromolecules: Basics and Tips for an Effective Use
Authors: Palma Juliana , Pierdominici‐Sottile Gustavo
Published: October 2022

Principal Component Analysis (PCA) is a procedure widely used to examine data collected from molecular dynamics simulations of biological macromolecules. It allows for greatly reducing the dimensionality of their configurational space, facilitating further qualitative and quantitative analysis. Its simplicity and relatively low computational cost explain its extended use. However, a judicious implementation of PCA requires the knowledge of its theoretical grounds as well as its weaknesses and capabilities. In this article, we review these issues and discuss several strategies developed over the last years to mitigate the main PCA flaws and enhance the reproducibility of its results.
“SIT” with Emx1‐NuTRAP Mice: Simultaneous INTACT and TRAP for Paired Transcriptomic and Epigenetic Sequencing
Authors: Raus Anthony M. , Nelson Nellie E. , Fuller Tyson D. , Ivy Autumn S.
Published: October 2022

Epigenetic regulation of transcription is gaining increasing importance in the study of neurobiology. The advent of sequencing technology has enabled the study of this regulation across the entire genome and transcriptome. However, modern methods that allow the correlation of transcriptomic data with epigenomic regulation have had several key limitations, including use of separate tissue sources and detection of low‐expression genes. This article describes a method combining isolation of nuclei tagged in specific cell types (INTACT) with translating ribosome affinity purification (TRAP) in the same cell homogenate, referred to as Simultaneous INTACT and TRAP (SIT). We used this technical approach to directly couple transcriptomic sequencing with epigenomic data in neurons derived from the mouse hippocampus. We demonstrate this method with an Emx1‐NuTRAP transgenic mouse model. Here, we present protocols for SIT and for the generation and validation of the Emx1‐NuTRAP mouse model that we used to demonstrate SIT. These methods enable cell type–specific comparison of translating mRNA and chromatin data from the same set of cells. Using SIT and the Emx1‐NuTRAP transgenic mouse model, researchers can compare epigenomic data to transcriptomic data in the same set of hippocampal excitatory neurons. © 2022 The Authors. Current Protocols published by Wiley Periodicals LLC.

Basic Protocol 1: Emx1‐NuTRAP transgenic mouse line for labeling excitatory neurons in the hippocampus

Basic Protocol 2: SIT: Simultaneous Isolation of nuclei tagged in specific cell types (INTACT) and Translating ribosome affinity purification (TRAP)
Malnutrition and nutritional screening in patients undergoing surgery in low and middle income countries: A systematic review
Authors: Jones Debra , Knight Stephen R. , Sremanakova Jana , Lapitan Marie Carmela M. , Qureshi Ahmad U. , Drake Thomas M. , Tabiri Stephen , Ghosh Dhruva , Thomas Maria , Kingsley Pamela A. , Sundar Sudha , Maimbo Mayaba , Yenli Edwin , Shaw Catherine , Valparaiso Apple P. , Bhangu Aneel , Magill Laura , Norrie John , Roberts Tracey E. , Theodoratou Evropi , Weiser Thomas G. , Harrison Ewen M. , Burden Sorrel T. ,   NIHR Global Health Research Unit on Global Surgery
Published: October 2022

Background

There is a high incidence of preoperative undernutrition in hospitalised patients in low and middle‐income countries (LMICs), leading to increased postoperative complications, length of hospital stay and early mortality. Review aims are to establish the prevalence of undernutrition and assess the use of validated nutritional screening tools in surgical patients across LMICs.

Methods

Protocol was PRISMA compliant and Prospero registered (CRD42019126765). Twelve international databases were searched from January 1990 to April 2021. Included studies were on nutritional screening in adults (≥16 years) undergoing surgery in LMICs. Two researchers screened studies and assessed quality. Prevalence of undernutrition was presented as a weighted percentage with confidence intervals (CI).

Results

Of the 4649 records identified, 16 studies (n = 4032) were eligible. Subjective global assessment (SGA) or patient generated (PG)‐SGA were the tools used most widely. SGA and PG‐SGA showed a high prevalence of undernutrition overall (0.61, 95% CI 0.50, 0.73), with a proportion identified with moderate undernutrition (0.44, 95% CI 0.31, 0.57) or severe undernutrition (0.32, 95% CI 0.19, 0.45).

Conclusions

Data show the prevalence of undernutrition in surgical patients as high as three in five patients within LMICs. Results indicate that the SGA is suitable for assessing this group of patients and that it may be the most appropriate tool to use due to its subjectivity and reliability. PG‐SGA although similar includes more symptom assessment, which is important for nutritionally depleted cancer patients. The limited data on validity and reliability of nutritional screening tools in LMICs indicates further research is required.
Significance and perspectives of telocytes in lung diseases
Authors: Song Dongli , Zhang Ding , Zheng Yonghua
Published: October 2022

Telocytes (TCs) are a type of interstitial cells with essential roles in regenerative medicine. TCs spatially exist in the stem cell niche and are considered a ‘stem cell helper cell’. Mesenchymal stromal cells therapy has been widely used in treating lung diseases, while there is increasing evidence from preclinical studies to show the beneficial effects of TCs to support smooth muscle cells and treat lung diseases, by releasing paracrine factors, exosomes, and microvesicles. There are still limitations and challenges to be overcome for TCs‐based translational medicine and clinical applications, by developing new methods and improving therapeutic strategies. The present review overviews the historical development, morphology and spatialization, biomarker specificity and values, biological functions, therapeutic effects on preclinical lung diseases, as well as potential mechanisms and future perspectives in lung diseases. TCs exert beneficial effects on preclinical asthma and acute lung injury and essential roles in repairing injured lung tissues and angiogenesis, by releasing paracrine factors and exosomes.
Experimental assessment of downstream environmental DNA patterns under variable fish biomass and river discharge rates
Authors: Van Driessche Charlotte , Everts Teun , Neyrinck Sabrina , Brys Rein
Published: October 2022

The development of environmental DNA (eDNA) methods toward implementation as a cost‐effective, nonlethal tool for fish biomonitoring in lotic environments requires insights on the temporal and spatial distribution of eDNA in river systems. Yet, little is known on how downstream eDNA dispersal is affected by the combination of river discharge and source biomass effects. In this study, we aimed at unraveling the effect of source‐ and system‐specific processes on the stream reach of eDNA. We used a longitudinal cage study in two river sections characterized by a significantly different discharge rate, where two invasive and two native fish species were introduced under two contrasting biomass treatments. Using droplet digital PCR (ddPCR) analyses, we found that eDNA concentrations become strongly reduced 2 km downstream from the source, an effect that is strengthened with increasing river discharge and coinciding dilution effects. Higher discharge rates resulted in equal or even higher detection probabilities at increasing distance from the source. The introduction of high fish stock biomass resulted in an increase of eDNA concentrations, as well as detection probabilities and in parallel reduced the stochasticity of the measurements. A peak in eDNA concentrations at a downstream distance ranging between 300 m and 2 km confirms the complexity of plume‐shaped downstream eDNA patterns. Our results showed interspecific variation in eDNA emission and suggest species‐specific differences in eDNA persistence. This study underlines the impact of both river discharge rate and source biomass on downstream eDNA detection and dispersal patterns.
Development and validation of two environmental DNA assays for American Eel (Anguilla rostrata)
Authors: Moyer Gregory R. , Bartron Meredith L. , Galbraith Heather S. , Grassi Josh , Rees Christopher B.
Published: October 2022

We developed and validated two species‐specific qPCR markers to detect American Eel environmental DNA. Marker validation included assay design, specificity and sensitivity testing, and in vivo laboratory and field experiments. Markers AME1 and AME2 targeted 116 and 129 bp fragments of the mitochondrial NADH dehydrogenase subunit 2 and cytochrome b genes, respectively. Markers were 94%–100% homologous for all 49 aligned American Eel sequences. Specificity tests, with known DNA obtained from 149 individuals spanning 81 fish species, amplified DNA derived from American Eel tissue exclusively. Each marker also had high sensitivity with LOD and LOQ values of 2.8–50 copies. For each marker, pilot testing of American Eel in aquaria at increasing densities (n = 0, 1, 5, 10 eels) showed a significant (p < 0.03) negative relationship between mean qPCR cycle threshold value and number of eels per tank. Our in situ testing of water samples collected from 35 sites on the East Coast (from as far south as Maryland to as far north as Maine) revealed that sites known to contain populations of American Eel (n = 11) were all positive for American Eel DNA, while sites where American Eel were presumed absent (n = 24) failed to amplify American Eel DNA. In three cases, our assays produced positive detections in the lower portion of a watershed but failed to detect American Eel upstream of a presumed impassible barrier in each of the same watersheds (all internal positive controls indicated no evidence of PCR inhibition in our field samples and all negative controls indicated no evidence of contamination). Our encouraging results of in vitro and in situ validation demonstrate the utility of using eDNA as a tool to aid in American Eel conservation efforts.