bluuebunny/crossref_metadata_2025 huggingface dataset:
Reversible Switchability of Magnetic Anisotropy and Magnetodielectric Effect Induced by Intermolecular Motion
Authors: Du Shan‐Nan , Su Dan , Ruan Ze‐Yu , Zhou Ying‐Qian , Deng Wei , Zhang Wei‐Xiong , Sun Young , Liu Jun‐Liang , Tong Ming‐Liang
Published: June 2022

Introducing magnetic switchability into artificial molecular machines is fascinating for precise control of magnetism via external stimuli. Herein, a field‐induced CoII single‐molecule magnet was found to exhibit the reversible switch of Jahn–Teller distortion near room temperature, along with thermal conformational motion of the 18‐crown‐6 rotor, which pulls the coordinated H2O to rotate through intermolecular hydrogen bonds and triggers a single‐crystal‐to‐single‐crystal phase transition with Twarm=282 K and Tcool=276 K. Interestingly, the molecular magnetic anisotropy probed by single‐crystal angular‐resolved magnetometry revealed the reorientation of easy axis by 14.6°. Moreover, ON/OFF negative magnetodielectric effects were respectively observed in the high‐/low‐temperature phase, which manifests the spin‐lattice interaction in the high‐temperature phase could be stronger, in accompanied by the hydrogen bonding between the rotating 18‐crown‐6 and the coordinated H2O.
Optimal robust vehicle motion control under equality and inequality constraints
Authors: Zhang Xinrong , Song Biya , Yang Zeyu , Huang Jin , Jia Yifan
Published: June 2022

In this paper, a new robust controller is proposed to improve the motion control performance of an autonomous four‐wheel steering vehicle. The vehicle is subject to time‐varying uncertainties caused by parameter perturbation and unmodeled disturbance. First of all, the vehicle motion control problem is modeled as a constraint‐following problem with the goal to drive the vehicle system to follow the given constraints. For safety reasons, inequality constraints are imposed on the lateral displacement of the vehicle. Next, the diffeomorphism mapping method is used to deal with the inequality constraints in the vehicle motion control, and the constrained lateral displacement space is mapped to an unbounded space. On this basis, a new multi‐parameter robust constraint‐following control is designed. Based on Lyapunov stability theory, the approximate constraint tracking performance of the path tracking system is proved. In order to make a trade‐off between the system performance and control cost, a multi‐parameter optimization problem is established, and the optimal robust controller is obtained. Last, the main theoretical results are verified by the Carsim‐Simulink co‐simulations.
VDN: Variant‐depth network for motion deblurring
Authors: Guo Cai , Wang Qian , Dai Hong‐Ning , Li Ping
Published: June 2022

Motion deblurring is a challenging task in vision and graphics. Recent researches aim to deblur by using multiple sub‐networks with multi‐scale or multi‐patch inputs. However, scaling or splitting operations on input images inevitably loses the spatial details of the images. Meanwhile, their models are usually complex and computationally expensive. To address these problems, we propose a novel variant‐depth scheme. In particular, we utilize the multiple variant‐depth sub‐networks with scale‐invariant inputs to combine into a variant‐depth network (VDN). In our design, different levels of sub‐networks accomplish progressive deblurring effects without transforming the inputs, thereby effectively reducing the computational complexity of the model. Extensive experiments have shown that our VDN outperforms the state‐of‐the‐art motion deblurring methods while maintaining a lower computational cost. The source code is publicly available at: 
https://github.com/CaiGuoHS/VDN.
Realistic simulation of hydraulic erosion on slope
Authors: Yu Zhaoxi , Yang Gang , Xu Zihui
Published: June 2022

Hydraulic erosion plays an important role in the formation of landform. Influenced by runoff, soil is destroyed, denuded, and transported to form a specific landform. The simulation of erosion can not only be used for the construction of realistic terrain, but also for evaluation in soil and water conservation, which has important research and application value. We construct a hydraulic erosion simulation framework on the basis of soil and water conservation's theory, which considers various factors in erosion, including: water flow, infiltration, transportation, erosion, ditch widening, deposition, and soil sliding. It is the first time to consider the generation time of runoff, soil fixation of plant roots, and ditch widening phenomenon in simulation. Using this method, we can simulate ditch evolution process from rill, shallow ditch, cut ditch to gully, which consist with the real process. Compared with real photos and data, our method has authenticity in both visual and theoretical aspects.
Lanthanide SMMs Based on Belt Macrocycles: Recent Advances and General Trends
Authors: Gil Yolimar , Castro‐Alvarez Alejandro , Fuentealba Pablo , Spodine Evgenia , Aravena Daniel
Published: June 2022

Enhancement of axial magnetic anisotropy is the central objective to push forward the performance of Single‐Molecule Magnet (SMM) complexes. In the case of mononuclear lanthanide complexes, the chemical environment around the paramagnetic ion must be tuned to place strongly interacting ligands along either the axial positions or the equatorial plane, depending on the oblate or prolate preference of the selected lanthanide. One classical strategy to achieve a precise chemical environment for a metal centre is using highly structured, chelating ligands. A natural approach for axial‐equatorial control is the employment of macrocycles acting in a belt conformation, providing the equatorial coordination environment, and leaving room for axial ligands. In this review, we present a survey of SMMs based on the macrocycle belt motif. Literature systems are divided in three families (crown ether, Schiff‐base and metallacrown) and their general properties in terms of structural stability and SMM performance are briefly discussed.
Current prostate cancer screening and treatment strategies may not support a holistic nationwide program
Authors: Nnate Daniel A. , Ball Jacquie
Published: June 2022

Lay summary

The diversity of the United Kingdom population and its health care personnel makes it unique for research into evidence‐based prostate cancer screening and management strategies.

Therefore, ensuring that appropriate systems and services are available to enhance treatment support for men with underlying risk factors should be a priority for health care providers.

More efforts are also needed to ensure the representation of men of Black ethnic origin and underserved populations in future prostate cancer research used to inform clinical guidelines.
Design and control of an improved Z‐H8 inverter for photovoltaic applications
Authors: Ahmadzadeh Taher , Babaei Ebrahim , Sabahi Mehran , Abedinzadeh Taher
Published: June 2022

This paper proposes a new modified buck–boost converter entitled the basic Z‐H8 topology. The modified configuration is composed by adding two dc decoupling and non‐ideal compensation blocks across the dc‐input side of the conventional Z‐H buck converter. These blocks create some benefits such as buck–boost ability and lower stresses and ripples for passive and active elements by up to 50% compared to the traditional Z‐H structure. Moreover, the proposed topology can be used as a dc/dc, dc/ac, or ac/dc converter. Hence, various control techniques based on unipolar PWM and SPWM are proposed for the basic Z‐H8 configuration to act as an inverter. Other valuable advantages are providing galvanic isolation and reducing leakage current by two blocks, which can be extremely useful for photovoltaic (PV) applications. Thus, a grid‐connected single‐stage PV system with a proper model predictive control algorithm is proposed. Despite a continuous voltage on the Z‐H8 inverter output, other benefits of the proposed PV system are tracking the maximum power point, adjusting the injected powers to the grid, and increasing security and reliability. The operating principle of the proposed topologies and control methods are explained in detail with the relevant equations and are confirmed by the simulation and experimental results.
COVID‐19 associated disruptions in routine health care of people with mild cognitive impairment or dementia
Authors: Tannous Jonika , Pan Alan , Bako Abdulaziz , Potter Thomas , Jones Stephen L. , Janjan Nora , Smith Matthew Lee , Seshadri Sudha , Ory Marcia G. , Vahidy Farhaan S.
Published: June 2022

Introduction

We report the COVID‐19 pandemic's impact on health‐care use disruption among people with mild cognitive impairment or Alzheimer's disease and related dementia (MCI/ADRD).

Methods

We compared the pandemic‐period health‐care use between MCI/ADRD and matched non‐MCI/ADRD patients. Using 4‐year pre‐pandemic data, we modeled three health‐care use types (inpatient, outpatient, emergency encounters) to predict pandemic‐period use, disaggregated for lockdown and post‐lockdown periods. Observed health‐care use was compared to the predicted. Proportional differences (confidence intervals) are reported.

Results

Both MCI/ADRD and non‐MCI/ADRD patients (n = 5479 each) experienced pandemic‐related health‐care use disruptions, which were significantly larger for the MCI/ADRD group for outpatient, –13.2% (–16.2%, –10.2%), and inpatient encounters, –12.8% (–18.4%, –7.3%). Large health‐care disruptions during lockdown were similar for both groups. However, post‐lockdown outpatient, –14.4% (–17.3%, –11.5%), and inpatient, –15.2% (–21.0%, –9.5%), disruptions were significantly greater for MCI/ADRD patients.

Conclusion

MCI/ADRD patients experienced greater and sustained pandemic‐related health‐care use disruptions, highlighting the need for robust strategies to sustain their essential health care during pandemic‐like catastrophes.
Fast and highly sensitive determination of tetrahydrocannabinol (THC) metabolites in hair using liquid chromatography‐multistage mass spectrometry (LC–MS3)
Authors: Hehet Petra , Franz Thomas , Kunert Natalie , Musshoff Frank
Published: June 2022

In hair analysis, identification of 11‐nor‐9‐carboxy‐∆9‐tetrahydrocannabinol (THC‐COOH), one of the major endogenously formed metabolites of the psychoactive cannabinoid tetrahydrocannabinol (THC), is considered unambiguous proof of cannabis consumption. Due to the complex hair matrix and low target concentrations of THC‐COOH in hair, this kind of investigation represents a great analytical challenge. The aim of this work was to establish a fast, simple, and reliable LC–MS3 routine method for sensitive detection of THC‐COOH in hair samples. Furthermore, the LC–MS3 method developed also included the detection of derivatized 11‐hydroxy‐∆9‐THC (11‐OH‐THC) as an additional marker of cannabis use. Hair sample preparation prior to detection of the two THC metabolites was based on digestion of the hair matrix under alkaline conditions followed by an optimized liquid–liquid extraction (LLE) procedure. Sample preparation by LLE proved to be more suitable than solid‐phase extraction (SPE) due to less laborious and time‐consuming steps while still yielding satisfactory results. A significant improvement in analytical detection was introduced by multistage fragmentation (MS3), which led to enhanced sensitivity and selectivity and thus low limits of quantification (0.1 pg/mg hair). The MS3 method included two transitions for THC‐COOH (m/z 343 → 299 → 245 and m/z 343 → 299 → 191) encompassing the quantifier (m/z 245) and the qualifier ion (m/z 191). The method was fully validated, and successful application to authentic toxicology case samples was demonstrated by the analysis of more than 2000 hair samples from cannabis users with THC‐COOH concentrations determined ranging from 0.1 to >15 pg/mg hair.
Exploiting Enantiopure β‐Amino Boronic Acids in Isocyanide‐Based Multicomponent Reactions
Authors: Manenti Marco , Gusmini Simone , Lo Presti Leonardo , Silvani Alessandra
Published: June 2022

Various isocyanide‐based multicomponent reactions prove to be highly reliable when β‐substituted β‐amino boronic esters are employed as the amine component, allowing the efficient synthesis of unprecedented peptidomimetics and heteroatom‐rich boron‐containing small molecules. In particular, the scope of the Ugi reaction is widely exploited, to give a family of enantiopure β‐substituted β‐amido boronates. The Ugi‐azide and the van Leusen reactions allow to joint together prominent pharmacophoric moieties, such as β‐amino boronic acids on one side, and tetrazole or imidazole rings on the other side, realizing a successful application of the molecular hybridization concept.
Calibration and validation of the SSSPAM coupled soilscape–landform evolution model for simulating short‐term gully development on a post‐mining landform
Authors: Welivitiya W. D. Dimuth P. , Hancock Greg R.
Published: June 2022

Post‐mining landforms consist of unconsolidated waste, which can be highly erodible. In such structures of loosely bonded material, rill erosion and gully erosion are significant issues that lead to landform degradation. These landforms need to be designed to minimize erosion to ensure long‐term stability and sustainability. Various landform evolution models (LEMs) have been used to predict the evolution of such landforms and identify areas prone to gully erosion. However, there is a degree of uncertainty associated with predictions made by LEMs due to the lack of field data that can be used to assess their accuracy. Here we use the State Space Soil Production and Assessment Model (SSSPAM) to simulate gully erosion on a post‐mining landform. For the first time, we performed a qualitative and quantitative comparison between model predictions and field data of a post‐mining landform using the SSSPAM model. SSSPAM is a coupled soilscape–landform evolution model that simulates fluvial erosion and armouring, diffusive erosion, deposition and physical weathering within the soil profile. Here, two sites on an active coal mine with active gullies evolving in waste rock were examined. In addition, novel methodologies for model calibration based on experimental flume data and model parameter modification procedures for conducting model simulations at different spatial and temporal scales are introduced. Site‐specific erosion parameters, initial landform digital elevation models and the daily rainfall record of the site were used to simulate the evolution of gullies at the two different sites. Results show that SSSPAM can predict the gullies' position and general geomorphic characteristics with a high degree of accuracy.
Illustration of buoyant forces on Casson nanofluid flow through an exponentially stretching sheet with thermal radiation and chemical reaction
Authors: Behera S. , Dash A. K. , Mishra S. R.
Published: June 2022

The present investigation is intended to follow the characteristics of thermal as well as solutal buoyancy on the flow of non‐Newtonian–Casson nanofluid flow over the exponential stretching sheet embedding with the permeable medium. The interaction of thermal radiation along with the chemical reaction enriches the flow phenomena significantly. These properties are useful due to their recent applications in various industries as well as the biomedical area. The blood flow phenomenon described in the human body is characterized by the use of Casson nanofluid which is helpful for the drug delivery system. The suitable transformation rules are employed for the transformation of the proposed governing equation into ordinary and nonlinear. Furthermore, an approximate analytical approach such as Differential Transform Method is used for the solution of transformed governing equations. The illustration of the physical behavior of the contributing parameters involved in the flow phenomena is presented via graphs and tabular form.
Treatment of giant cell tumors of the distal radius: A long‐term patient‐reported outcomes study
Authors: Kuruoglu Doga , Rizzo Marco , Rose Peter S. , Moran Steven L. , Houdek Matthew T.
Published: June 2022

Introduction

The distal radius is a common location for giant cell tumors (GCTs) of bone. Management includes intralesional curettage or wide excision, however, long‐term comparisons of treatment options are limited. The purpose of the current study was to evaluate our institutions' outcomes of treatment of these tumors.

Methods

We reviewed 24 GCT of the distal radius in 23 patients (12 males: 11 females) with a mean age of 42 years at the time of surgery. Functional outcomes were collected including the Musculoskeletal Tumor Society Score (MSTS), QuickDash, the Visual Analog Scale (VAS), and the Patient Rated Wrist Evaluation (PRWE). The mean follow‐up was 13 years.

Results

Tumor grade included Campanacci Grade II (n = 14) and Grade III (n = 10). Treatment included extended intralesional curettage (n = 16) and wide excision (n = 8). Reconstruction mainly included bone grafting/cement (n = 16) or free vascularized fibula radiocarpal arthrodesis (n = 5). At most recent follow‐up, there was no difference in MSTS, VAS, and PRWE (p > 0.05) between patients undergoing a joint sparing or arthrodesis. Patients undergoing arthrodesis had a lower QuickDASH score (13.7 vs. 20.8, p = 0.04)

Conclusions

Treatment for GCT of the distal radius is individualized however in the setting of articular surface involvement, arthrodesis can lead to superior functional results at long‐term follow‐up.
A sensitive LC‐MS/MS method for quantification of phenytoin and its major metabolite with application to in vivo investigations of intravenous and intranasal phenytoin delivery
Authors: Prentice Richard N. , Younus Mohammad , Rizwan Shakila B.
Published: June 2022

Phenytoin is a powerful antiseizure drug with complex pharmacokinetic properties, making it an interesting model drug to use in preclinical in vivo investigations, especially with regards to formulations aiming to improve drug delivery to the brain. Moreover, it has a major metabolite, 5‐(4‐hydroxyphenyl)‐5‐phenylhydantoin, which can be simultaneously studied to achieve a better assessment of its behaviour in the body. Here, we describe the development and validation of a sensitive LCMS/MS method for quantification of phenytoin and 5‐(4‐hydroxyphenyl)‐5‐phenylhydantoin in rat plasma and brain which can be used in such preclinical studies. Calibration curves produced covered a range of 7.81 to 250 ng/mL (plasma) and 23.4 to 750 ng/g (brain tissue) for both analytes. The method was validated for specificity, sensitivity, accuracy, and precision and found to be within the acceptable limits of ±15% over this range in both tissue types. The method when applied in two in vivo investigations: validation of a seizure model and to study the behaviour of a solution of intranasally administered phenytoin as a foundation for future studies into direct nose‐to‐brain delivery of phenytoin using specifically developed particulate systems, was highly sensitive for detecting phenytoin and 5‐(4‐hydroxyphenyl)‐5‐phenylhydantoin in rat plasma and brain.
Determination of phthalate esters in bottled beverages by direct immersion solid‐phase microextraction with a porous boron nitride coated fiber followed by gas chromatography‐mass spectrometry
Authors: Zang Xiaohuan , Wang Mengting , Chang Qingyun , Wang Chun , Wang Zhi , Xu Jianzhong
Published: June 2022

A porous boron nitride with a large surface area was synthesized by a one‐step grinding method with melamine, urea, and boric acid as the precursors. The prepared porous boron nitride was used as the fiber coating material for the solid‐phase microextraction of seven phthalate esters (diethyl phthalate, diallyl phthalate, diisobutyl phthalate, dibutyl phthalate, butylbenzyl phthalate, dicyclohexyl phthalate, and di‐2‐ethylhexyl phthalate) prior to their gas chromatography‐mass spectrometric detection. The important experimental parameters including the extraction time, extraction temperature, salt concentration, and stirring rate were optimized by both single factor and central composite design methods. Under the optimized experimental conditions, the linear response range for the analytes was from 0.030 to 30.0 μg/L, and the limits of detection were from 0.010 to 0.040 μg/L, respectively. The relative recoveries of the analytes for spiked samples at two concentration levels were 83.0–109% with the relative standard deviations less than 12%. The established method was successfully applied for the determination of the phthalate esters in bottled juice beverage samples.
Multi‐unit ownership and market power: A study of the lodging industry in Texas
Authors: Koh Jung Hwan , Rojas Christian
Published: June 2022

As franchisees in the retail and service industries become experienced and acquire local market knowledge, they are likely to own multiple franchised units. Given non‐ (or weak) exclusive clauses in franchising contracts or industry norms, some of these multi‐unit owners are affiliated with multiple franchisors. Agency and transaction cost theories, the classic theoretical framework to analyze franchising, cannot explain this type of multi‐franchisor affiliation because this type of ownership would create incentive problems across franchisors. Conversely, this paper investigates whether this type of the multi‐unit ownership can be explained by the exercise of market power by these franchisees. We test this hypothesis in geographically clustered markets (hotels near the interstate highway exits), where multi‐unit ownership is common. We first show that multi‐unit owners affiliated with multiple franchisors charge higher prices than other franchisors. Then, in our main analysis, we show that one explanation for this pattern is the existence of market power: Without multi‐unit ownership, prices at these hotels would decrease by 9%, on average (and market‐level volume sales would increase by 7.52%). These results help explain why franchisors might be willing to engage in franchising contracts with franchisees that operate units associated with different franchisors.
Water Dynamics in Highly Concentrated Salt Solutions: A Multi‐Nuclear NMR Approach
Authors: Rezaei‐Ghaleh Nasrollah
Published: June 2022

Living cells often contain compartments with high concentration of charged biomolecules. A key question pertinent to the function of biomolecules is how water dynamics are affected by interaction with charged molecules. Here, we study the dynamical behavior of water in an extreme condition, that is, in saturated salt solutions, where nearly all water molecules are located within the first hydration layer of ions. To facilitate disentangling the effects of cations and anions, our study is focused on alkali chloride solutions. Following a multi‐nuclear NMR approach enabling direct monitoring of protons and the quadrupolar nuclei 7Li, 17O, 23Na, 35Cl, 87Rb and 133Cs, we investigate how the translational and rotational mobility of water molecules, chloride anion and corresponding cations are affected within the constrained environment of saturated solutions. Our results indicate that water molecules preserve a large level of mobility within saturated alkali chloride solutions that is significantly independent of adjacent ions.
Modeling the thermodynamics and kinematics of spherical particle dispersion in polymer melts: Model derivation and simulation analysis
Authors: Wetzel Mark D. , Campbell Gregory A.
Published: June 2022

A cohesive binding‐force‐based model has been developed to predict solid particulate agglomerate break up in fluids sheared volumes leading to particle dispersion in polymer melt extrusion processes. Particle—particle, particle—polymer, and particle—modifier—polymer interactions are modeled using adaptions from Hamaker's approach. This leads to an analytical molecular attraction approach that captures the effects of: (1) particle‐particle agglomerate cohesion based on material properties and structure, (2) the effect of surface modifiers on cohesive strength and particle separation, (3) polymer wetting and melt adhesion leading to medium‐agglomerate stress transfer, (4) applied fluid mechanical stress and melt temperature, and (5) residence time. In this paper, the model is evaluated, and several predicted effects of processing parameters on reduction of agglomerate size are calculated and graphically presented from this phase of the research. The predicted trends are consistent with the published data in the literature.
Landscapes of value
Authors: Rissing Andrea , Jones Bradley M.
Published: June 2022

This special issue presents a collection of ethnographic and archaeological articles that consider how humans inscribe landscapes with diverse forms of value. From natural resources to real estate markets, from cherished homelands to foreign speculative investment, the way we approach landscapes offers insights into value systems as they map onto and emerge from biophysical terrains. We argue that the “landscapes of value” analytic foregrounds such materiality to embed cyclical value making within particular places and times. We introduce this special issue by discussing the articles' contributions along four overlapping processes of landscape valuation: commodification, exclusion, speculation, and simplification.
Investigation of Bamboo Leaves as an Alternative Source of Silica: Extraction, Characterization and Its Application as an Adsorbent for Methylene Blue Sequestration
Authors: Joshi Uttara R. , Roy Ritwika , Satsangi P. Gursumeeran
Published: June 2022

The present study examines an alternative method for extracting silica from natural waste such as bamboo leaves (BL) via thermal combustion, followed by acid treatment and alkaline extraction. The physico‐chemical properties of extracted silica were studied by comprehensive characterization tools. FESEM revealed that extracted silica is highly porous and interconnected. EDX, XRD and FTIR study confirmed the purity, amorphous nature and functional groups of extracted silica. The major interest of this paper was to functionalize extracted silica with alginate and to optimize the parameters such as pH (at 5), and equilibrium time (60 min) for the removal of methylene blue (MB) from aqueous solutions. The kinetic data was fitted well in the pseudo‐second order model and the maximum adsorption capacity was found to be 54.35 mg/g. The favorability of the Langmuir isotherm suggested that the adsorption system was dominated by the monolayer adsorption process with uniform adsorption sites present on the surface. The morphological changes due to MB adsorption on prepared composites were authenticated by FTIR and DFT calculations. Therefore, the present investigation emphasizes the suitability of silica extraction from bamboo leaves waste over chemical precursors to synthesize adsorption composites.
Investigating the State of Skin Layer of Asymmetric Polyethersulfone (PES) ‐ Zeolitic Imidazole Framework‐8 (ZIF‐8) Mixed Matrix Gas Separation Membranes and Its Effect on Gas Separation Performance
Authors: Tüzün‐Antepli Burcu , Yılmaz Levent , Kalıpçılar Halil
Published: June 2022

Asymmetric and dense polyethersulfone (PES) and PES/ZIF‐8 (Zeolitic Imidazole Framework‐8) membranes were produced by nonsolvent induced phase inversion and solvent evaporation, respectively. The skin layer on the asymmetric membranes was prepared intentionally thick to observe the distribution of ZIF‐8 and interfacial voids between ZIF‐8 and PES, and to compare the state of ZIF‐8 in the asymmetric membranes with that of in dense membranes prepared by solvent evaporation. All asymmetric membranes were prepared only by wet phase inversion to eliminate the effect of solvent evaporation on the skin layer morphology. For this purpose, the effect of composition of solvent and nonsolvent bath, ZIF‐8 percentage and particle size was investigated. The skin layer on asymmetric and dense membranes prepared by SE (solvent evaporation) had very similar morphologies, CO2/CH4 and H2/CH4 ideal selectivities, however, the single gas permeabilities through asymmetric membranes were higher. This was attributed to the influence of ZIF‐8 on the structure of continuous polymeric phase.
Solvent‐Free Hantzsch Condensation Reaction Leading to Polyhydroquinoline and 1,8‐Dioxo‐decahydroacridine Derivatives Promoted by Nanosized Kaolin‐[BTMSP]‐NH2+ HSO4−
Authors: Aminian Shayan , Mazloumi Masoumeh , Zabihzadeh Mehdi , Shirini Farhad , Tajik Hassan
Published: June 2022

In this work, a new heterogeneous nanosized catalyst containing ionic liquid bridges was prepared based on kaolin (kaolin‐[BTMSP]‐NH2+ HSO4−). In order to characterize the catalyst, Fourier‐transform infrared spectroscopy (FTIR), energy dispersive spectrometer (EDS), X‐ray diffraction (XRD), thermogravimetric analysis (TGA), field emission scanning electron microscopy (FESEM), and CHNS elemental analysis were implemented. The catalytic performance of kaolin‐[BTMSP]‐NH2+ HSO4− was evaluated through the promotion of the one‐pot synthesis of polyhydroquinoline and 1,8‐dioxo‐decahydroacridine derivatives via the Hantzsch condensation reaction. The proposed methodology is capable of providing the target products during short reaction times in high yields under solvent‐free conditions. The use of inexpensive and readily available reagents for the synthesis of the catalyst, solvent‐free conditions, low catalyst loading, simple work‐up and reusability of the catalyst are considered as the prominent features of this method.
Design, Synthesis, Biological and Computational Assessment of New Thiazolidin‐4‐one Derivatives as Potential Anticancer Agents Through the Apoptosis Pathway
Authors: Bimoussa Abdoullah , Oubella Ali , Bjij Imane , Fawzi Mourad , Laamari Yassine , Ait Itto My Youssef , Auhmani Abdelouahed , Morjani Hamid , Cherqaoui Driss , Auhmani Aziz
Published: June 2022

A variety of novel thiazolidin‐4‐one himachalene derivatives were designed and synthesized through hetero‐cyclization of thiosemicarbazone analogs that have previously exhibited strong anticancer activity. The synthesized products 2 a–4 f were completely characterized by 1H NMR, 13C NMR, IR, and HRMS and were later submitted for in vitro evaluation of their anticancer activity and cytotoxicity on a panel of four human cancer cell lines ( i.eHT‐1080, MCF‐7, A‐549, and MDA‐MB‐231). Most of the evaluated compounds showed potent antiproliferative activities against the four human cancer cell lines with tested IC50 values ranging from 5.25±0.32 to 9.26±0.73 μM. The mechanism of action revealed that compounds 2 b and 4 b induced caspase‐3/7‐activated apoptosis and cell cycle arrest in the G0/G1 stage in HT‐1080 and A‐549 cells. Furthermore, molecular docking studies were conducted to evaluate the binding affinities and the possible binding modes of the top‐performing compounds 2 b and 4 b. This was later supported by Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) analysis predicting their prospective pharmacological profiles. The outcome of this study supports the validity of our strategy and presents 2 b and 4 b as a pattern for the discovery of novel cancer therapeutics.
A Green Method to Prepare a Highly Concentrated Reduced Graphene Oxide (RGO) Dispersion and Its Anti‐Ultraviolet Radiation Property in RGO‐Modified Cotton Fabric
Authors: Su Yingjie , Han Li , Yang Wen , Hou Dongrui , Luo Jing , Zhang Mengyang , Sun Qinggong , Wang Jianfeng
Published: June 2022

Using honeysuckle extract as reductant, a green and efficient route is developed for preparing reduced graphene oxide (RGO) with high solubility (3 mg/mL) in water without stabilizers. The dispersibility of as‐prepared RGO is higher compared with data reported (normally <1 mg/mL). The produced RGO can be uniformly dispersed in water and organic solvents with excellent stability even after one month. As a proof of concept, the RGO coated cotton fabric has outstanding anti‐ultraviolet radiation properties with a UV protection factor (UPF) as high as 897.16, ∼54 times higher than the non‐modified cotton fabric, providing possibilities for future industrial applications, especially in anti‐ultraviolet coatings and biological materials.
Photocatalytic Degradation of Toxic Phenolic Compound and Bacterial Inactivation by Ternary Li doped Zn0.5Ni0.5Fe2O4
Authors: Mustafa Faisal Suleiman , Oladipo Akeem Adeyemi , Gazi Mustafa
Published: June 2022

Conventional methods are inefficient to treat water contaminated with persistent organic contaminants. To decontaminate bacteria and 2,4,5‐trichlorophenol (TCP) contaminated water, a heterogeneous photocatalysis‐based advanced oxidation process was applied in this study. A Li‐doped ternary Zn0.5Ni0.5Fe2O4 (ZNF) photocatalyst (Li/ZNF) was synthesized via a facile co‐precipitation technique and characterized. The Li/ZNF has a sufficient specific surface area (69.8 m2.g−1), and an appropriate bandgap of 2.89 eV. Under optimal conditions, 10 mg of Li/ZNF photocatalyst degraded 80 % of 50 mg L−1 TCP in 6 h at pH 3 in the presence of 4 mM H2O2. After use, the Li/ZNF photocatalyst was magnetically separated and reused numerous times, with an efficiency of 66 % after the fifth reuse cycle. In the antibacterial time‐kill assay, 15 and 25 mg of Li/ZNF inhibited 1×107 CFU.mL−1 of S. Aureus and E. coli bacteria after 60 min of UV exposure, respectively.
Recent Achievements on Functionalization within closo‐Decahydrodecaborate [B10H10]2− Clusters
Authors: Mahfouz Nadine , Ghaida Fatima Abi , El Hajj Zeinab , Diab Manal , Floquet Sebastien , Mehdi Ahmad , Naoufal Daoud
Published: June 2022

Closo‐decahydrodecaborate anion, [B10H10]2−, is one of the most notable clusters in the family of hydroborates, partly attributed to its unique electronic structure and its thermal and chemical stability. The major challenge in the development of [B10H10]2− chemistry resides in its functionalization via the activation of exo‐polyhedral B−H bonds to B−L bonds to generate attractive molecular construction modules or ‘archetypes’ of useful applications. To date, the closo‐[B10H10]2− cage has been functionalized with a wide range of functional groups ‐L such as halogens, amines, thiols, alkoxy, hydroxyl and multifunctional moieties to yield mono‐ or poly‐substituted borate derivatives. In this review, we present the recent trends in the chemistry of closo‐decaborate with focus on the substitution reactions of hydrogen atoms by various entities.
Functionalized Triphenylene Discotic Molecules: Synthesis and Mesomorphic Characterizations
Authors: Srinivasa H. T. , Hariprasad S.
Published: June 2022

We report the synthesis and characterization of two sets of triphenylene derived discotic molecules with phenol, aldehyde and acid functional groups. In the first set, triphenylene moiety was tethered with benzene derivatives via an ester linkage, while in the second set via an ether linkage with increased aromatic conjugation. All the molecules have triphenylene disc at one end and with benzene, biphenyl and terphenyl cores at the other end connected via flexible methylene spacers. The chemical structures of the novel compounds were confirmed by IR, NMR spectroscopy and CHN analysis methods. Thermal and liquid crystal texture properties were determined using differential scanning calorimetry, polarized optical microscope and X‐ray diffraction studies. Amongst all the novel compounds, only the terphenyl derivative displayed mesomorphism. However, their charge transfer complexes with trinitrofluorenone (TNF) an electron acceptor exhibited columnar mesophases.
Recent Developments in the Synthesis of Indole‐Pyrazole Hybrids
Authors: Fabitha K. , Chandrakanth Munugala , Pramod Rakendu N. , Arya C. G. , Li Yupeng , Banothu Janardhan
Published: June 2022

Indole and pyrazole are two important scaffolds in the field of medicinal chemistry. Compounds bearing indole and/or pyrazole moiety have been extensively investigated for a wide range of biological applications. Of them, compounds containing both indole and pyrazole moieties (also termed as indole‐pyrazole hybrids) are of particular interest since synergistic pharmacological activities may be gained comparing to those with each individual pharmacophore. Indole‐pyrazole hybrids can be classified into two general classes of direct‐linked hybrids and spacer‐linked hybrids. For each class, it can be sub‐divided into indole‐C2 pyrazole hybrids, indole‐C3 pyrazole hybrids and indole‐C4/5/6/7 pyrazole hybrids based on the substitution position of pyrazole on the indole moiety. Many types of indole‐pyrazole hybrids have been reported with good antimicrobial, anticancer, antitumor, anti‐inflammatory, anti‐oxidant activities etc. However, no papers have been noted to comprehensively summarize the chemical synthesis of these important indole‐pyrazole hybrids as bioactive compounds except for a few reviews focusing on the synthesis of each individual indole‐ and pyrazole‐containing derivatives. Thus, we here present a comprehensive and updated review focusing on the progress of chemical synthesis of all types of indole‐pyrazole hybrids in order to provide a better understanding of the indole‐pyrazole hybrids to researchers in the fields of synthetic chemistry and to facilitating drug development.
Band Bending at Hole Transporting Layer‐Perovskite Interfaces in n‐i‐p and in p‐i‐n Architecture
Authors: Das Chittarajan , Kedia Mayank , Zuo Weiwei , Mortan Claudiu , Kot Małgorzata , Ingo Flege Jan , Saliba Michael
Published: June 2022

Interfaces between hybrid perovskite absorber and its adjacent charge‐transporting layers are of high importance for solar cells performance. Understanding their chemical and electronic properties is a key step in designing efficient and stable perovskite solar cells. In this work, the tapered cross‐section photoemission spectroscopy (TCS‐PES) method is used to study the methylammonium lead iodide (CH3NH3PbI3) (MAPI)‐based solar cells in two configurations, that is, in an inverted p–i–n and in a classical n–i–p architecture. It is revealed in the results that the MAPI film deposited once on the n‐type TiO2 and once on the p‐type NiOx substrates is neither an intrinsic semiconductor nor adapts to the dopant nature of the substrate underneath, but it is heavily n‐type doped on both substrates. In addition to that, the TCS‐PES results identify that the band bending between the MAPI film and the hole transporting layer (HTL) layer depends on the perovskite solar cells architecture. In particular, a band bending on the HTL side in the n–i–p and at the MAPI in the p–i–n architecture is found. The flat band of NiOx at the NiOx/MAPI interface can be explained by the Fermi level pinning of the NiOx at the interface.
An Innovative Anode Interface Combination for Perovskite Solar Cells with Improved Efficiency, Stability, and Reproducibility
Authors: Meng Wei , Xu Junyi , Dong Lirong , Zhang Jiyun , Xie Zhiqiang , Luo Junsheng , Zhao Baolin , Zhang Kaicheng , Osvet Andres , Heumüller Thomas , Forberich Karen , Halik Marcus , Li Ning , Brabec Christoph J.
Published: June 2022

Rational design and engineering of top interface layers with combined properties of effective passivation, high thermal‐ and photo‐stability are effective methods to advance the commercialization of perovskite photovoltaics. Here, an innovative anode interface combination is developed based on alcohol‐dispersed poly(3‐hexylthiophene‐2,5‐diyl) (P3HT) nanoparticles as the hole transport material and chlorobenzene‐dissolved trioctylphosphine oxide (TOPO) as the passivation agent. It is shown that instead of the commonly used 2D passivation ligands, TOPO‐passivated perovskite films exhibit greatly improved thermal stability. Furthermore, the passivation contributes to an enhanced carrier lifetime and reduced surface trap density, yielding an improvement in the quasi‐fermi‐level splitting of 57 meV. To maintain surface passivation during solution processing of further layers, it is necessary to develop a hole transport layer that can be processed from orthogonal solvents. P3HT nanoparticles formulated in alcoholic media fully meet this requirement, clearly benefitting from their high vertical conductivity and extremely low contact resistance with carbon electrodes. Based on this configuration, device efficiency of up to 18.4% is demonstrated for perovskite solar cells with fully solution‐processed carbon electrodes, along with significantly improved device stability and reproducibility.
The Origin of Fast Lithium‐Ion Transport in the Inorganic Solid Electrolyte Interphase on Lithium Metal Anodes
Authors: Ma Xia-Xia , Shen Xin , Chen Xiang , Fu Zhong-Heng , Yao Nan , Zhang Rui , Zhang Qiang
Published: June 2022

Solid electrolyte interphase (SEI) plays an indispensable role in stabilizing lithium metal batteries (LMBs). An ideal SEI is supposed to impede the electrolyte degradation on lithium metal anodes while allowing lithium‐ion transport. However, the ionic transport mechanism in SEI is not fully understood. Herein, first‐principles calculations are performed to probe the ionic transport mechanism in inorganic SEI and the role of carrier concentration is highlighted. The low ionic conductivity in bulk inorganic SEI (Li2O, LiOH, Li2CO3, and LiF) is ascribed to its low carrier concentration. The Li2O/LiF interface delivers both a high carrier concentration and ionic conductivity despite an indifferent diffusion barrier. Herein, not only the lithium‐ion transport mechanism in inorganic SEI is unveiled but also the general references for the rational design of high‐ionic‐conductivity SEI on working Li‐metal anodes are afforded.
An approach of Bayesian variable selection for ultrahigh‐dimensional multivariate regression
Authors: Dai Xiaotian , Fu Guifang , Reese Randall , Zhao Shaofei , Shang Zuofeng
Published: June 2022

In many practices, scientists are particularly interested in detecting which of the predictors are truly associated with a multivariate response. It is more accurate to model multiple responses as one vector rather than separating each component one by one. This is particularly true for complex traits having multiple correlated components. A Bayesian multivariate variable selection (BMVS) approach is proposed to select important predictors influencing the multivariate response from a candidate pool with ultrahigh dimension. By applying the sample‐size‐dependent spike and slab priors, the BMVS approach satisfies the strong selection consistency property under certain conditions, which represents the advantages of BMVS over other existing Bayesian multivariate regression‐based approaches. The proposed approach considers the covariance structure of multiple responses without assuming independence and integrates the estimation of covariance‐related parameters together with all regression parameters into one framework through a fast‐updating Markov chain Monte Carlo (MCMC) procedure. It is demonstrated through simulations that the BMVS approach outperforms some other relevant frequentist and Bayesian approaches. The proposed BMVS approach possesses a flexibility of wide applications, including genome‐wide association studies with multiple correlated phenotypes and a large scale of genetic variants and/or environmental variables, as demonstrated in the real data analyses section. The computer code and test data of the proposed method are available as an R package.
Klaus Hasselmann—His Own Account
Authors: von Storch Hans
Published: June 2022

In 2006, Hans von Storch and Dirk Olbers ran an interview with Klaus Hasselmann.
Impact of IL-21-associated peripheral and brain crosstalk on the Alzheimer’s disease neuropathology
Authors: Agrawal Sudhanshu , Baulch Janet E. , Madan Shreya , Salah Seher , Cheeks Samantha N. , Krattli Robert P. , Subramanian Veedamali S. , Acharya Munjal M. , Agrawal Anshu
Published: June 2022

Alzheimer’s disease (AD) is associated with dysregulated immune and inflammatory responses. Emerging evidence indicates that peripheral immune activation is linked to neuroinflammation and AD pathogenesis. The present study focuses on determining the role of IL-21 in the pathogenesis of AD using human samples and the 5xFAD mice model. We find that the levels of IL-21 are increased in the periphery of both humans and mice in AD. In addition, the proportions of IL-21 target cells, Tfh and B plasma cells as well as activation of monocytes is increased in PBMCs from AD and mild cognitively impaired (MCI) subjects as compared to age-matched controls, indicating immune activation. In contrast, the percentage of B1 cells that control inflammation is decreased. These changes are due to IL-21 as the expression of IL-21 receptor (IL-21R) is higher on all these cells in AD. Furthermore, treatment with recombinant IL-21 in AD mice also leads to similar alterations in Tfh, B, B1, and macrophages. The effect of IL-21 is not confined to the periphery since increased expression of IL-21R is also observed in both humans and mice hippocampus derived from the AD brains. In addition, mice injected with IL-21 display increased deposition of amyloid beta (Aβ) plaques in the brain which is reduced following anti-IL-21R antibody that blocks the IL-21 signaling. Moreover, activation of microglia was enhanced in IL-21-injected mice. In keeping with enhanced microglial activation, we also observed increased production of pro-inflammatory cytokines, IL-18 and IL-6 in IL-21-injected mice. The microglial activation and cytokines were both inhibited following IL-21R blockage. Altogether, IL-21 escalates AD pathology by enhancing peripheral and brain immune and inflammatory responses leading to increased Aβ plaque deposition.

Graphical abstract

IL-21 impacts AD neuropathology by enhancing peripheral and neuronal immune
activation, inflammation, and Aβ plaque deposition. Increased levels of IL-21 in the circulation
of AD and MCI subjects enhances the proportions of Tfh and B plasma cells indicative of
peripheral immune activation. On the other hand, the proportions of B1 cells that help reduce
inflammation and clear Aβ are reduced. In addition to the periphery, IL-21 also acts on the brain
via IL-21 receptor, IL-21R that displays increased expression in the hippocampi of AD and MCI
subjects. IL-21 enhances the activation of microglia, induces the secretion of pro-inflammatory
cytokines and deposition of Aβ plaques in the brain in AD.
Metal-rich organic matter and hot continental passive margin: drivers for Devonian copper-cobalt-germanium mineralization in dolomitized reef-bearing carbonate platform
Authors: Saintilan Nicolas J. , Archer Corey , Maden Colin , Samankassou Elias , Bernasconi Stefano M. , Szumigala David , Mahaffey Zach , West Andy , Spangenberg Jorge E.
Published: June 2022

The abundance and types of reef-bearing carbonate platforms reflect the evolution of Devonian climate, with conspicuous microbial-algal reefs in the warm Early and Late Devonian and sponge-coral reefs in the cooler Middle Devonian. A dolomitized Wenlock-Lower Devonian microbial-algal reef-bearing carbonate platform hosts epigenetic copper-cobalt-germanium (Cu-Co-Ge) sulfide mineralization at Ruby Creek-Bornite in the Brooks Range, Alaska. Here, we present rhenium-osmium (Re-Os) radiometric ages and molybdenum and sulfur (δ98/95Mo = +2.04 to +5.48‰ and δ34S = −28.5 to −1.8‰) isotope variations for individual Cu-Co-Fe sulfide phases along the paragenetic sequence carrollite-bornite-pyrite. In the context of a hot, extensional passive margin, greenhouse conditions in the Early Devonian favored restriction of platform-top seawater circulation and episodic reflux of oxidized brines during growth of the carbonaceous carbonate platform. Molybdenum and sulfur isotope data signal the stepwise reduction of hot brines carrying Cu during latent reflux and geothermal circulation for at least ca. 15 million years from the Early Devonian until Cu-Co sulfide mineralization ca. 379–378 million years ago (Ma) in the Frasnian, Late Devonian (weighted mean of Re-Os model ages of carrollite at 379 ± 15 Ma [n = 4]; Re-Os isochron age of bornite at 378 ± 15 Ma [n = 6]). On the basis of petrographic relationships between sulfides and solid bitumen, and the Mo and S isotope data for sulfides, we imply that the endowment in critical metals (e.g., Co, Ge, Re) in the Ruby Creek-Bornite deposit is linked to the activity of primary producers that removed trace metals from the warm Early Devonian seawater and concentrated Co, Ge, and Re in algal-bacterial organic matter in carbonate sediments.