bluuebunny/crossref_metadata_2025 huggingface dataset:
The importance of indirect effects of climate change adaptations on alpine and pre‐alpine freshwater systems
Authors: Brosse Morgane , Benateau Simon , Gaudard Adrien , Stamm Christian , Altermatt Florian
Published: February 2022

Freshwater is vital to much life on Earth and is an essential resource for humans. Climate change, however, dramatically changes freshwater systems and reduces water quality, poses a risk to drinking water availability and has severe impacts on aquatic ecosystems and their biodiversity.

The direct effects of climate change, such as increased temperatures and higher frequency of extreme meteorological events, interact with human responses to climate change, which we refer to here as ‘indirect effects’. The latter possibly have even greater impact than the direct effects of climate change. Specifically, changes in land‐use practices as responses to climate change, such as adjusted cropping regimes or a shift to renewable hydroelectricity to mitigate climate change, can very strongly affect freshwater ecosystems.

Hitherto, these indirect effects and the possibility of idiosyncratic outcomes are under‐recognized. Here, we synthesize knowledge and identify threats to freshwater environments in alpine and pre‐alpine regions, which are particularly affected by climate change.

We focus on the effects of adapted agriculture and hydropower production on freshwater quality and ecological status, as these examples have strong indirect effects that interact with direct effects of climate change (e.g., water temperature, droughts, isolation of populations).

We outline how failure to effectively account for indirect effects associated with human responses to climate change may exacerbate direct climate change impacts on aquatic ecosystems. If managed properly, however, human responses to indirect effects offer potential for rapid and implementable leverage to mitigate some of the direct climate change effects on aquatic ecosystems. To better address looming risks, policy‐ and decisionmakers must account for indirect effects and incorporate them into restoration planning and the respective sectorial policies.
Impact of geometric distortion on dose deviation for photon and proton treatment plans
Authors: Yan Yue , Yang Jinzhong , Li Yuting , Ding Yao , Kadbi Mo , Wang Jihong
Published: February 2022

We investigated the dose deviation related to geometric distortion and dose gradient on magnetic resonance‐only treatment planning for intensity‐modulated radiation therapy and proton therapy. The residual geometric distortion of two different magnetic resonance imaging (MRI) sequences (A) and (B) was applied in the computed tomography image and the structure set of each patient through a polynomial MRI geometric distortion model to simulate MRI‐based treatment planning. A 3D histogram was generated to specify the relationship of dose deviation to geometric distortion and dose gradient. When the dose gradient (Gd) approached zero, the maximum dose deviation reached 1.64% and 2.71% for photon plans of sequences A and B, respectively. For proton plans, the maximum dose deviation reached 3.15% and 4.89% for sequences A and B, respectively. When the geometric distortion (d) was close to zero, the maximum dose deviation was less than 0.8% for photon and proton plans of both sequences. Under extreme conditions (d = 2 mm and Gd = 4.5%/mm), the median value of dose deviation reached 3% and 3.49% for photon and proton plans, respectively for sequence A, and 2.93% and 4.55% for photon and proton plans, respectively, for sequence B. We demonstrate that the dose deviation is specific to MRI hardware parameters. Compared to the photon plan, the proton plan is more sensitive to the changes in geometric distortion. For typical clinical MRI geometric distortion (d ≤2 mm), the median dose deviation is expected to be within 3% and 5% for photon and proton plans, respectively.
Flexible Mechanical Metamaterials Enabled Electronic Skin for Real‐Time Detection of Unstable Grasping in Robotic Manipulation
Authors: Huang Xin , Guo Wei , Liu Shaoyu , Li Yangyang , Qiu Yuqi , Fang Han , Yang Ganguang , Zhu Kanhao , Yin Zhouping , Li Zhuo , Wu Hao
Published: February 2022

Electronic‐skin (E‐skin) has been investigated extensively for robotic tactile sensing. However, E‐skin sensors based on flexible metamaterials are still challenging to achieve. Moreover, the implementation of E‐skin sensor arrays in the actual monitoring of robotic grasping and manipulation conditions are rather limited due to the difficulty in data processing. Herein, high‐performance E‐skin strain sensors based on flexible auxetic metamaterials are reported, which endow the sensors with the capability of measuring both compressive (40%) and tensile (>80%) strain in a wide range and superior sensitivity, as compared with sensors without the structure. With perception data collected by the sensors, a generic method for real‐time detection of unstable robotic grasping is established. Through this method, the complicated problem of processing large‐scale arrayed sensor signals is simplified into the calculation of two indices, which extract both time and frequency domain characteristics of the signals. The total detection time (including sensor measurement response and data processing) can be as short as 100 ms, in line with human skin response in slippage perception. Accurate detections in real‐time during various grasping and manipulation tasks are presented, demonstrating the great value of the sensors and the detection approach in robotic perception and dexterous manipulation.
Rational Design of Bioinspired Nucleobase‐Containing Polymers as Tough Bioplastics and Ultra‐Strong Adhesives
Authors: Tian Yuting , Wu Jiang , Fang Xinzi , Guan Liheng , Yao Nan , Yang Guang , Wang Zhongkai , Hua Zan , Liu Guangming
Published: February 2022

The development of polymeric materials from bio‐based feedstocks is highly urgent due to growing environmental concerns and the rapid depletion of limited fossil resources. However, bio‐based polymeric materials usually possess only moderate performance, drastically undermining their potential applicability. Herein, bioinspired nucleobase‐containing polymers with eminent toughness and outstanding adhesive properties by harnessing the complementary hydrogen‐bonding (H‐bonding) interactions are developed. Efficient thiol‐ene polymerization is carried out to produce the nucleobase‐functionalized homopolymers and statistical copolymers. In contrast to the individual homopolymers, the supramolecular mixtures of the homopolymers display much better energy dissipation and damping capacity on account of intermolecular complementary H‐bonding interactions. More remarkably, the nucleobase‐containing copolymers possessing both inter‐ and intramolecular complementary H‐bonding interactions exhibit outstanding toughness as high as 73.8 MJ m−3. In addition to the outstanding mechanical properties, the unique interfacial adhesive propensity of nucleobases endows the polymeric materials with an ultra‐strong adhesion strength as high as 16.2 MPa. This work represents an important and universal bioinspired strategy to construct robust polymeric materials by rationally designing both inter‐ and intramolecular H‐bonding networks.
Shape‐Anisotropic Microembolics Generated by Microfluidic Synthesis for Transarterial Embolization Treatment
Authors: Luo Yucheng , Ma Yutao , Chen Zijian , Gao Yanan , Zhou Yuping , Liu Xiaoya , Liu Xuezhe , Gao Xu , Li Zhihua , Liu Chuang , Leo Hwa Liang , Yu Hanry , Guo Qiongyu
Published: February 2022

Particulate embolic agents with calibrated sizes, which employ interventional procedures to achieve endovascular embolization, have recently attracted tremendous interest in therapeutic embolotherapies for a wide plethora of diseases. However, the particulate shape effect, which may play a critical role in embolization performances, has been rarely investigated. Here, polyvinyl alcohol (PVA)‐based shape‐anisotropic microembolics are developed using a facile droplet‐based microfluidic fabrication method via heat‐accelerated PVA‐glutaraldehyde crosslinking reaction at a mild temperature of 38 °C. Precise geometrical controls of the microembolics are achieved with a nearly capsule shape through regulating surfactant concentration and flow rate ratio between dispersed phase and continuous phase in the microfluidics. Two specific models are employed, i.e., in vitro decellularized rabbit liver embolization model and in vivo rabbit ear embolization model, to systematically evaluate the embolization behaviors of the nonspherical microembolics. Compared to microspheres of the same volume, the elongated microembolics demonstrated advantageous endovascular navigation capability, penetration depth and embolization stability due to their comparatively smaller radial diameter and their central cylindrical part providing larger contact area with distal vessels. Such nonspherical microembolics present a promising platform to apply shape anisotropy to achieve distinctive therapeutic effects for endovascular treatments.
Quasi‐2D Perovskite Crystalline Layers for Printable Direct Conversion X‐Ray Imaging
Authors: Tsai Hsinhan , Shrestha Shreetu , Pan Lei , Huang Hsin‐Hsiang , Strzalka Joseph , Williams Darrick , Wang Leeyih , Cao Lei. R. , Nie Wanyi
Published: February 2022

Polycrystalline perovskite film‐based X‐ray detector is an appealing technology for assembling large scale imager by printing methods. However, thick crystalline layer without trap and solvent residual is challenging to fabricate. Here, the authors report a solution method to produce high quality quasi‐2D perovskite crystalline layers and detectors that are suitable for X‐ray imaging. By introducing n‐butylamine iodide into methylammonium lead iodide precursor and coating at elevated temperatures, compact and crystalline layers with exceptional uniformity are obtained on both rigid and flexible substrates. Photodiodes built with the quasi‐2D layers exhibit a low dark current and stable operation under constant electrical field over 96 h in dark, and over 15 h under X‐ray irradiation. The detector responds sensitively under X‐ray, delivering a high sensitivity of 1214 µC Gyair−1 cm−2 and a sensitivity gain is observed when operated under higher fields. Finally, high resolution images are demonstrated using a single pixel device that can resolve 80–200 µm features. This work paves the path for printable direct conversion X‐ray imager development.
Unconventional Doping Effect Leads to Ultrahigh Average Thermoelectric Power Factor in Cu3SbSe4‐Based Composites
Authors: Huang Yuling , Zhang Bin , Li Jingwei , Zhou Zizhen , Zheng Sikang , Li Nanhai , Wang Guiwen , Zhang De , Zhang Daliang , Han Guang , Wang Guoyu , Han Xiaodong , Lu Xu , Zhou Xiaoyuan
Published: February 2022

Thermoelectric materials are typically highly degenerate semiconductors, which require high carrier concentration. However, the efficiency of conventional doping by replacing host atoms with alien ones is restricted by solubility limit, and, more unfavorably, such a doping method is likely to cause strong charge‐carrier scattering at ambient temperature, leading to deteriorated electrical performance. Here, an unconventional doping strategy is proposed, where a small trace of alien atoms is used to stabilize cation vacancies in Cu3SbSe4 by compositing with CuAlSe2, in which the cation vacancies rather than the alien atoms provide a high density of holes. Consequently, the hole concentration enlarges by six times but the carrier mobility is well maintained. As a result, a record‐high average power factor of 19 µW cm−1 K−2 in the temperature range of 300–723 K is attained. Finally, with further reduced lattice thermal conductivity, a peak zT value of 1.4 and a record‐high average zT value of 0.72 are achieved within the diamond‐like compounds. This new doping strategy not only can be applied for boosting the average power factor for thermoelectrics, but more generally can be used to maintain carrier mobility for a variety of semiconductors that need high carrier concentration.
Surface Stability of Azobenzene‐Based Thin Films in Aqueous Environment: Light‐Controllable Underwater Blistering
Authors: Audia Biagio , Fedele Chiara , Tone Caterina M. , Cipparrone Gabriella , Priimagi Arri
Published: February 2022

Azobenzene‐based light‐responsive thin films are emerging as appealing candidates for smart cell‐culture substrates. Their attraction lies in the fact that they can be reversibly photo‐patterned, providing a route for dynamically mimicking the remodeling of the extracellular matrix. However, since the cells need to be cultured in aqueous environment, a key parameter in the layout of any biological application is the stability of the surface underwater. In this work, the authors perform a detailed investigation on the surface stability of azobenzene‐based thin films in water and in a biologically relevant aqueous medium in which surface blistering occurs, as a result of water–material interaction. The phenomenon arises due to film delamination, and it can be prevented by changing the underlying substrate, by an additional coating layer, or by photo‐induced control over the film permeability. It is also shown that the blister orientation can be controlled with polarized light. Furthermore, a simple model based on osmotic pressure is proposed to explain the blister formation. These findings provide a comprehensive overview of the interaction between water and the photo‐responsive film surface, pertinent for engineering biomaterials with enhanced dynamic control over the cell–material interface.
Autonomous Multi‐Step and Multi‐Objective Optimization Facilitated by Real‐Time Process Analytics
Authors: Sagmeister Peter , Ort Florian F. , Jusner Clemens E. , Hebrault Dominique , Tampone Thomas , Buono Frederic G. , Williams Jason D. , Kappe C. Oliver
Published: February 2022

Autonomous flow reactors are becoming increasingly utilized in the synthesis of organic compounds, yet the complexity of the chemical reactions and analytical methods remains limited. The development of a modular platform which uses rapid flow NMR and FTIR measurements, combined with chemometric modeling, is presented for efficient and timely analysis of reaction outcomes. This platform is tested with a four variable single‐step reaction (nucleophilic aromatic substitution), to determine the most effective optimization methodology. The self‐optimization approach with minimal background knowledge proves to provide the optimal reaction parameters within the shortest operational time. The chosen approach is then applied to a seven variable two‐step optimization problem (imine formation and cyclization), for the synthesis of the active pharmaceutical ingredient edaravone. Despite the exponentially increased complexity of this optimization problem, the platform achieves excellent results in a relatively small number of iterations, leading to >95% solution yield of the intermediate and up to 5.42 kg L−1 h−1 space‐time yield for this pharmaceutically relevant product.
Contribution of Anisotropic Lattice‐Strain to Piezoelectricity and Electromechanical Power Generation of Flexible Inorganic Halide Thin Films
Authors: Kim Da Bin , Jo Kyeong Su , Park Sung Jun , Cho Yong Soo
Published: February 2022

Strain engineering has recently emerged as a critical strategy in improving the optoelectronic properties of perovskite halide materials. However, the effects of lattice strain on piezoelectricity and related device performance have not been realized in perovskite halides. Herein, an in situ‐strain‐engineering method is proposed to induce a compressive or tensile strain of up to 0.75% for flexible inorganic–halide CsPbBr3 thin films, resulting in anisotropic lattice strain, e.g., a contraction in the ab‐plane and elongation along the c‐axis in the case of compressive strain. The optimal piezoelectric energy harvesting values of ≈22.6 V and ≈1.13 µA are achieved, which are nearly 3.8 and 7.1 times better than those of the unstrained reference, for the compressively 0.75%‐strained CsPbBr3 thin films further optimized with electric poling. These output values are the best so far compared to any previously reported values for perovskite‐halide‐based thin‐film harvesters. The structural origins of these superlative results are systematically revealed to be associated with the distortion of coupled PbBr6 octahedra and the atomic displacement within each octahedron.
Disorder Dynamics in Battery Nanoparticles During Phase Transitions Revealed by Operando Single‐Particle Diffraction
Authors: Huang Jason J. , Weinstock Daniel , Hirsh Hayley , Bouck Ryan , Zhang Minghao , Gorobtsov Oleg Yu. , Okamura Malia , Harder Ross , Cha Wonsuk , Ruff Jacob P. C. , Meng Y. Shirley , Singer Andrej
Published: February 2022

Structural and ion‐ordering phase transitions limit the viability of sodium‐ion intercalation materials in grid scale battery storage by reducing their lifetime. However, the combination of phenomena in nanoparticulate electrodes creates complex behavior that is difficult to investigate, especially on the single‐nanoparticle scale under operating conditions. In this work, operando single‐particle X‐ray diffraction (oSP‐XRD) is used to observe single‐particle rotation, interlayer spacing, and layer misorientation in a functional sodium‐ion battery. oSP‐XRD is applied to Na2/3[Ni1/3Mn2/3]O2, an archetypal P2‐type sodium‐ion‐positive electrode material with the notorious P2‐O2 phase transition induced by sodium (de)intercalation. It is found that during sodium extraction, the misorientation of crystalline layers inside individual particles increases before the layers suddenly align just prior to the P2‐O2 transition. The increase in the long‐range order coincides with an additional voltage plateau signifying a phase transition prior to the P2‐O2 transition. To explain the layer alignment, a model for the phase evolution is proposed that includes a transition from localized to correlated Jahn–Teller distortions. The model is anticipated to guide further characterization and engineering of sodium‐ion intercalation materials with P2‐O2 type transitions. oSP‐XRD, therefore, opens a powerful avenue for revealing complex phase behavior in heterogeneous nanoparticulate systems.
Insight into the Mechanism of Axial Ligands Regulating the Catalytic Activity of Fe–N4 Sites for Oxygen Reduction Reaction
Authors: Zhao Kuang‐Min , Liu Suqin , Li Yu‐Yang , Wei Xianli , Ye Guanying , Zhu Weiwei , Su Yuke , Wang Jue , Liu Hongtao , He Zhen , Zhou Zhi‐You , Sun Shi‐Gang
Published: February 2022

Identifying the actual structure and tuning the catalytic activity of Fe–N4‐based moieties, well‐recognized high‐activity sites in the oxygen reduction reaction (ORR) are challenging problems. Herein, by using poly(iron phthalocyanine) (PFePc) as an Fe–N4‐based model electrocatalyst, a mechanistic insight into the effect of axial ligands on the ORR catalytic activity of Fe–N4 is provided and it is revealed that the ORR activity of Fe–N4 sites with OH desorption as a rate‐determining step is related to the energy level gap between the OH pxpy and Fe 3, which can be tuned by regulating the field strength of the axial ligands. Thus, PFePc coordinated with a weak‐field ligand I− (PFePc‐I) with a low energy level of Fe 3 exhibits high activity evidenced by an ORR half‐wave potential as high as 0.948 V versus RHE. This work develops a novel strategy for tuning the ORR activity of Fe–N4 and reveals the correlation between the electronic/geometric structure and catalytic activity of Fe–N4.
3D Printing Architecting Reservoir‐Integrated Anode for Dendrite‐Free, Safe, and Durable Zn Batteries
Authors: Zeng Li , He Hanna , Chen Haiyan , Luo Dan , He Jun , Zhang Chuhong
Published: February 2022

The growing demand for safe and renewable energy storage systems has driven the recent renaissance of Zn‐ion batteries (ZIBs). Nevertheless, the intrinsic drawbacks of inhomogeneous electric distribution and sluggish ion replenishment worsen the Zn dendrite issues that seriously impede their practical application. Herein, for the first time, a functional 3D printed reservoir‐integrated N‐doped carbon host (3DP‐NC) is designed to remodel the electric/ionic fields. The customized 3D printed structure equipped with regular micron‐sized holes induces reduced local current density and homogeneous electric distribution. The micron‐sized holes function as reservoirs to ensure unobstructed ion diffusion and quasi‐steady‐state ionic supplements. A N‐doping interfacial modification strategy is further employed to encourage a highly zincophilic surface, hence reducing the nucleation energy barrier and motivating uniform Zn nucleation. As a result, the Zn‐deposited 3DP‐NC electrode (3DP‐NC@Zn) affords dendrite‐free morphology and highly reversible Zn plating/stripping with an ultra‐small overpotential of 15.3 mV even at 10 mA cm−2. Additionally, these appealing features also endow the 3DP‐NC@Zn electrode with an outstanding lifespan over 380 h at 1 mA cm−2 and 1 mAh cm−2. The thrilling performance establishes a new roadmap that advances the development of dendrite‐free and durable metal batteries by exploiting this unique 3D printing technique.
Host–Guest Interlocked Complex Binder for Silicon–Graphite Composite Electrodes in Lithium Ion Batteries
Authors: Kim Jaemin , Choi Jewon , Park Kiho , Kim Sungchan , Nam Kwan Woo , Char Kookheon , Choi Jang Wook
Published: February 2022

Maximizing the energy density of a lithium‐ion battery cell by increasing the silicon content in the silicon–graphite (Si–Gr) composite anode is an ongoing research topic that is receiving much attention. However, the paradoxical surface characteristics of Si and Gr make it challenging to uniformly distribute the electrode components and maintain their adhesion during cycling accompanied with the immense volume change of Si. Here, an amphiphilic, tightly interlocked host–guest complex binder composed of pyrene‐conjugated poly(acrylic acid) (Py‐PAA) and a hyperbranched γ‐cyclodextrin polymer (γ CDp) is reported. The pyrene unit ofPy‐PAAnot only endows enhanced affinity to the Gr surface but also serves as a guest molecule capable of interlocking with theγ CDphost. This highly effective host–guest interaction sustains the integrity of the electrode to enable superior cycling performance and rate capability for Si–Gr electrodes with commercial‐level areal capacity. This study shows that hierarchical, multifunctional supramolecular binders of two kinds can offer improved battery performance for emerging high‐capacity electrodes consisting of components with different surface characteristics compared to conventional binders of a single kind.
Entropically favoured through space charge transfer ‘lighted’ photosensitizing assemblies for ‘metal free’ regulated photooxidation of alcohols and aldehydes
Authors: Kaur Gurpreet , Kaur Harpreet , Kaur Mandeep , Kumar Manoj , Bhalla Vandana
Published: February 2022

Strong acceptor‐weak acceptor system FN‐TPy has been designed and synthesized, which undergoes solvent dependent self‐assembly in mixed aqueous media to generate through space intermolecular charge transfer assemblies. The as‐prepared entropically favoured assemblies of FN‐TPy exhibit excellent photostability and photosensitizing properties in the assembled state to activate aerial oxygen for efficient generation of reactive oxygen species through Type‐I and Type‐II pathways. The FN‐TPy exhibits excellent potential for regulated oxidation of alcohols and aldehydes under mild reaction conditions (visible light irradiation, aqueous media, room temperature) using aerial oxygen as the ‘oxidant’. The present study demonstrates the potential of FN‐TPy assemblies to catalyse controlled oxidation of benzyl alcohol to benzoic acid.
Copper‐Promoted Cascade Radical Reaction of [60]Fullerene with Arylglyoxals and Further Derivatization
Authors: Lu Wen‐Qiang , Yin Zheng‐Chun , Liu Qing‐Song , Wang Guan‐Wu
Published: February 2022

An efficient cascade reaction of [60]fullerene (C60) with two molecules of arylglyoxals promoted by CuCl2 ⋅ 2H2O and 4‐dimethylaminopyridine has been exploited for the synthesis of epoxy‐bridged C60‐fused lactones, which contain a ketone moiety on the branched substituent. A plausible reaction mechanism involving the unusual addition radical to the carbonyl oxygens and rare 5‐endo‐trig cyclization is proposed to explain the formation of the epoxy‐bridged lactones. Further derivatizations based on the ketone and lactone moieties of the obtained products have also been explored. The assigned structures of the derived products have been unequivocally established by single‐crystal X‐ray crystallography. The application of the obtained fullerene products in perovskite solar cell devices has been demonstrated.
International Validation of the Erasmus Guillain–Barré Syndrome Respiratory Insufficiency Score
Authors: Doets Alex Y. , Walgaard Christa , Lingsma Hester F. , Islam Badrul , Papri Nowshin , Yamagishi Yuko , Kusunoki Susumu , Dimachkie Mazen M. , Waheed Waqar , Kolb Noah , Gorson Kenneth C. , Jacobs Bart C. ,   the IGOS Consortium
Published: February 2022

Objective

This study aimed to validate the Erasmus Guillain–Barré Syndrome Respiratory Insufficiency Score in the International Guillain–Barré Syndrome Outcome Study cohort, and to improve its performance and region‐specificity.

Methods

We examined data from the first 1,500 included patients, aged ≥6 years and not ventilated prior to study entry. Patients with a clinical variant or mild symptoms were also included. Outcome was mechanical ventilation within the first week from study entry. Model performance was assessed regarding the discriminative ability (area under the receiver operating characteristic curve) and the calibration (observed vs predicted probability of mechanical ventilation), in the full cohort and in Europe/North America and Asia separately. We recalibrated the model to improve its performance and region‐specificity.

Results

In the group of 1,023 eligible patients (Europe/North America n = 842, Asia n = 104, other n = 77), 104 (10%) required mechanical ventilation within the first week from study entry. Area under the curve values were ≥0.80 for all validation subgroups. Mean observed proportions of mechanical ventilation were lower than predicted risks: full cohort 10% versus 21%, Europe/North America 9% versus 21%, and Asia 17% versus 23%. After recalibration, predicted risks for the full cohort and Europe/North America corresponded to observed proportions.

Interpretation

This prospective, international cohort study validated the Erasmus Guillain–Barré Syndrome Respiratory Insufficiency Score, and showed that the model can be used in the full spectrum of Guillain–Barré syndrome patients. In addition, a more accurate, region‐specific version of the model was developed for patients from Europe/North America. ANN NEUROL 2022;91:521–531
Parity‐Violation Studies with Partially Stripped Ions
Authors: Richter Jan , Maiorova Anna V. , Viatkina Anna V. , Budker Dmitry , Surzhykov Andrey
Published: February 2022

A theoretical study of photoexcitation of highly charged ions from their ground states, a process which can be realized at the Gamma Factory at CERN, is presented. Special attention is paid to the question of how the excitation rates are affected by the mixing of opposite‐parity ionic levels, which is induced both by an external electric field and the weak interaction between electrons and the nucleus. In order to reinvestigate this “Stark‐plus‐weak‐interaction” mixing, well‐known in neutral atomic systems, we employ relativistic Dirac theory. Based on the developed approach, detailed calculations are performed for the 1s 2s1/2and (M1 + parity–violating–E1) transitions in hydrogen‐ and lithium‐like ions, respectively. In particular, we focus on the difference between the excitation rates obtained for the right‐ and left‐circularly polarized incident light. This difference arises due to the parity violating mixing of ionic levels and is usually characterized in terms of thecircular–dichroismparameter. We argue that future measurements of circular dichroism, performed with highly charged ions in the SPS or LHC rings, may provide valuable information on the electron–nucleus weak–interaction coupling.
Extraction of ferulic acid from oil palm pressed fiber by a choline chloride based deep eutectic solvent
Authors: Ng Mei Han , Abd. Hadi Nu'man
Published: February 2022

Results on the extraction of ferulic acid from palm pressed fiber using deep eutectic solvent (DES) of choline chloride‐acetic acid (ChCl‐AA) and choline chloride‐citric acid (ChCl‐CA) are reported. Acetic acid was found to be a better hydrogen bond donor to choline chloride than citric acid for the extraction of ferulic acid. Influence of water content in both DES was investigated whereby ChCl‐AA and ChCl‐CA experienced a drop in viscosity from 9.678 to 1.429 and 22.658 ± 1.655 mm2/s, respectively as the water content in the DES increased from 0 to 50 wt%. The drop in viscosity contributed to higher extraction efficiency in which 41,155 ± 940 mg/kg ferulic acid was obtained after 6 h reflux when ChCl‐AA with 30 wt% water was used for the extraction compared to 30,940 ± 621 mg/kg when neat ChCl‐AA was used. Further increase in water content in the DES however, did not lead to higher extraction efficiency. Although viscosity of the DES could be improved with the addition of water, there is a threshold where the DES could tolerate the presence of water without changing its solvent behavior. Surface response model revealed that interaction between heating duration and water content in DES, as well as second order effect of both heating duration and water content in DES played important roles in the extraction of ferulic acid from oil palm pressed fiber. The optimum condition for extraction of ferulic acid from palm pressed fiber was heating for 6 h with DES containing 30 wt% water.
Thermal behavior evaluation of benzoxazine reinforced withmacadamiabiomass composites
Authors: Bandeira Cirlene Fourquet , Costa Ariana Carmem Antunes Da , Montoro Sérgio Roberto , Costa Michelle Leali , Botelho Edson Cocchieri
Published: February 2022

Recently, to improve the properties, reduce the amount of polymeric materials, the time of disposal in landfills and the cost of composite parts, the incorporation of vegetal biomass was considered. In this study, composites with 10% and 20% v/v of benzoxazine resins and macadamia nutshell (50#) were made via hand layup within naturabiomass and hydrothermally treated (121°C/45 min in an autoclave). Thermogravimetry indicates that the initial temperature of biomass degradation (209°C) allows it to be used with the resin (oven curing at 190°C). The enthalpies obtained from the DSC indicate that the percentage of cure increased with the biomass. FT‐IR tests indicate that the hydrothermal treatment collapsed part of the lignin and extracted lignocellulosic material. There was no significant modification of the glass transition temperature obtained in DMA and TMA with the introduction of biomass. Optical microscopy showed that the treated reinforcement showed a greater variation in size forming lumps. Based on these results, these composites can be used in the replacement of synthetic composites, contributing to a decrease in the consumption of petroleum derivatives and with this, reducing the disposal in landfills and dumps.
Strain‐based fatigue criterion for rubber damage under multimode loadings
Authors: Luo Robert Keqi
Published: February 2022

An accurate prediction of the fatigue life of a rubber product is based on a criterion. Since strain can be measured directly in rubber components during a test, it would help design engineers improve product performance effectively if the strain‐based damage criteria can achieve high accuracy. Hence, the experimental data on the AE42 and AE2 specimens were utilized to test the suitability of the proposed damage criterion for rubber materials. The criterion includes three principal components determined by both a strain range and a current strain. Data from AE42 specimens, made from styrene‐butadiene rubber, contained 40 cases, that is, tension, torsion, and tension‐torsion loadings. An S‐N curve was obtained, with a scatter band of 0.7 and a coefficient of determination R2 of 0.81. The curve could be useful at the design stage. A sample of AE2, made from natural rubber filled with carbon black, showed the location and orientation of the crack in a nonproportional case. The predicted location of the fatigue crack was consistent with the experimental observation and the crack orientation matched the experimental measurement, that is, the predicted angle of 33.4° versus the measurement of approximately 40°. It would be possible to combine the proposed approach with the critical plane method in nonproportional loadings to save significant CPU time: using the proposed approach to find the critical loading range and then using the critical plane method to find the maximum value of the required damage variables. More engineering cases are needed to further verify this proposed criterion.
2022 American College of Rheumatology/European Alliance of Associations for Rheumatology Classification Criteria for Granulomatosis With Polyangiitis
Authors: Robson Joanna C. , Grayson Peter C. , Ponte Cristina , Suppiah Ravi , Craven Anthea , Judge Andrew , Khalid Sara , Hutchings Andrew , Watts Richard A. , Merkel Peter A. , Luqmani Raashid A. ,   for the DCVAS Study Group
Published: February 2022

Objective

To develop and validate revised classification criteria for granulomatosis with polyangiitis (GPA).

Methods

Patients with vasculitis or comparator diseases were recruited into an international cohort. The study proceeded in 5 phases: 1) identification of candidate criteria items using consensus methodology, 2) prospective collection of candidate items present at the time of diagnosis, 3) data‐driven reduction of the number of candidate items, 4) expert panel review of cases to define the reference diagnosis, and 5) derivation of a points‐based risk score for disease classification in a development set using least absolute shrinkage and selection operator logistic regression, with subsequent validation of performance characteristics in an independent set of cases and comparators.

Results

The development set for GPA consisted of 578 cases of GPA and 652 comparators. The validation set consisted of an additional 146 cases of GPA and 161 comparators. From 91 candidate items, regression analysis identified 26 items for GPA, 10 of which were retained. The final criteria and their weights were as follows: bloody nasal discharge, nasal crusting, or sino‐nasal congestion (+3); cartilaginous involvement (+2); conductive or sensorineural hearing loss (+1); cytoplasmic antineutrophil cytoplasmic antibody (ANCA) or anti–proteinase 3 ANCA positivity (+5); pulmonary nodules, mass, or cavitation on chest imaging (+2); granuloma or giant cells on biopsy (+2); inflammation or consolidation of the nasal/paranasal sinuses on imaging (+1); pauci‐immune glomerulonephritis (+1); perinuclear ANCA or antimyeloperoxidase ANCA positivity (−1); and eosinophil count ≥1 × 109/liter (−4). After excluding mimics of vasculitis, a patient with a diagnosis of small‐ or medium‐vessel vasculitis could be classified as having GPA if the cumulative score was ≥5 points. When these criteria were tested in the validation data set, the sensitivity was 93% (95% confidence interval [95% CI] 87–96%) and the specificity was 94% (95% CI 89–97%).

Conclusion

The 2022 American College of Rheumatology/European Alliance of Associations for Rheumatology classification criteria for GPA demonstrate strong performance characteristics and are validated for use in research.
The accurate estimation of the third virial coefficients for helium using three‐body neural network potentials
Authors: Kwon Taejin , Song Han Wook , Woo Sam Yong , Kim Jong‐Ho , Sung Bong June
Published: February 2022

The description of many‐body interactions is one of challenging problems in molecular dynamics simulations. Recently, neural network potentials have been spotlighted as an approach to describe many‐body interactions. In this study, we obtain the neural network potentials for three‐body interactions of helium using a deep learning method. We perform quantum calculations to obtain single point energies for helium trimers and obtain the neural network potentials for three‐body interactions by performing a deep learning method. In order to test the validity of the neural network three‐body interactions, we perform Mayer‐sampling Monte Carlo simulations and calculate third virial coefficients for helium. We show that the third virial coefficients obtained from three‐body neural network potentials are more accurate than those obtained from two‐body neural network potentials. The deep learning method in our study would be extended to obtain the high‐order virial coefficients for complex molecules.
Review of HPLC–MS methods for the analysis of nicotine and its active metabolite cotinine in various biological matrices
Authors: Jin Siyao , Pang Wenyuan , Zhao Libo , Zhao Zhigang , Mei Shenghui
Published: February 2022

In recent years, tobacco smoking is a risk factor for a series of diseases, including cardiovascular diseases, cerebrovascular diseases, and cancers. Nicotine, the primary component of tobacco smoke, is mainly transformed to its active metabolite cotinine, which is often used as a biomarker for tobacco exposure for its higher blood concentration and longer residence time than nicotine. Various analytical methods have been developed for the determination of nicotine and cotinine in biological matrices. This article reviewed the HPLC–MS based methods for nicotine and/or cotinine analysis in various biological matrices. The sample preparation, mass and chromatographic conditions, and method validation results of these methods have been summarized and analyzed. The sample was mainly pretreated by protein precipitation and/or extraction. Separation was achieved using methanol and/or acetonitrile:water (with or without ammonium acetate) on C18 columns and acetonitrile:water (with formic acid, ammonium acetate/formate) on HILIC columns. Nicotine‐d3, nicotine‐d4, and cotinine‐d3 were commonly used internal standards (ISs). Other non‐deuterated ISs such as ritonavir, N‐ethylnorcotinine, and milrinone were also used. For both nicotine and cotinine, the calibration range was 0.005–35,000 ng/mL, the matrix effect was 75.96–126.8%, and the recovery was 53–124.5%. The two analytes were stable at room temperature for 1–10 days, at −80°C for up to 6 months, and after three to six freeze–thaw cycles. Comedications did not affect nicotine and cotinine analyses.
Acute pancreatitis secondary to ansa pancreatica: Two new cases and review of the literature
Authors: Ben Ismail Imen , Rebii Saber , Zenaidi Hakim , Zoghlami Ayoub
Published: February 2022

We described two cases of acute pancreatitis secondary to ansa pancreatica. The first patient was diagnosed on MRCP and improved after standard treatment of AP. In the second case, ansa pancreatica was diagnosed on IOP. At the second episode of AP, sphincterotomy of the minor papilla was performed.
Role of Ba in an Al2O3‐Supported Pd‐based Catalyst under Practical Three‐Way Catalysis Conditions
Authors: Jing Yuan , Wang Gang , Mine Shinya , Maeno Zen , Hakim Siddiki S. M. A. , Kobayashi Masayuki , Nagaoka Shuhei , Shimizu Ken‐ichi , Toyao Takashi
Published: February 2022

Barium (Ba) has been widely and successfully added to three‐way catalysts to effectively control gasoline vehicle emissions. While the introduction of Ba is well‐known to have a very significant impact on three‐way catalysis (TWC) performance, the role of Ba under practical TWC conditions remains insufficiently understood. In this study, we investigated the role of Ba in a Pd‐based catalyst in a standard TWC process using a gasoline vehicle and in situ/operando infrared (IR) spectroscopy. The addition of Ba was found to reduce all of the emissions considered (NOx, CO, and non‐methane hydrocarbons) in the vehicle exhaust gas; it also suppressed supported‐metal aggregation, which is a requirement of a high‐performance catalyst. In addition, IR studies using model powder catalysts revealed that the efficient formation of intermediate surface nitrate species and their subsequent reactions with reductant gases, such as CO, H2, and C3H6 (as a hydrocarbon), play key roles in reducing emissions. This process is akin to the NOx storage and reduction (NSR) mechanism commonly used to control diesel emissions.
Bitte lächeln! Strahlende Zähne Dank Marmor, Fröschen und portugiesischem Urin
Authors: Endres Wiebke
Published: February 2022

Zugegeben, die Mischung aus der Chemie unserer Fensterbank, einem quakenden Laubfrosch und portugiesischer Ausscheidung klingt nicht gerade nach der besten Mundpflege, die man sich kurzweilig am frühen Morgen zu Gute kommen lassen möchte – doch wie heißt es so schön: „Mit Chemie lacht das Leben!“
Bestimmung der Pflanzenvitalität mit einer RGB‐Kamera
Authors: Besch Britt
Published: February 2022

Um globalen Herausforderungen wie der wachsenden Weltbevölkerung und dem Klimawandel entgegenzutreten, ist eine Effizienzsteigerung im Agrarsektor unumgänglich. Diese Produktivitätserhöhung kann beispielsweise durch die Fernerkundung von Nutzflächen erzielt werden. Die hierbei verwendeten Technologien sind jedoch sowohl komplex als auch kostspielig. Deswegen soll eine simple Methode zur Bestimmung der Pflanzenvitalität mit Hilfe des Normalized Difference Vegetation Index NDVI entwickelt werden, um Ressourcen wie Dünger und Wasser zu sparen.
Neues Magnesium‐Isotop
Authors: Fischer‐Henningsen Doris
Published: February 2022

Einem internationalen Forscherteam um Yu Jin von der Universität Peking und Kyle Brown von der Michigan State University ist es kürzlich gelungen, das bisher leichteste und neutronenärmste Isotop des Elements Magnesium zu erzeugen. Magnesium‐18, dessen Kern aus 12 Protonen und nur 6 Neutronen besteht (Abbildung 1), ist allerdings mit einer Halbwertszeit von weniger als 10–21 Sekunden sehr instabil.
Dynamic channel allocation strategy for quality of service enhancement in wireless ad hoc networks
Authors: Wu Chenyang , Ji Xiaopeng , Dai Yuewei
Published: February 2022

The quality of service (QoS) is a momentous performance index of wireless ad hoc networks. However, unreasonable channel allocation will degrade the QoS. During the process of channel allocation, if user requests for idle channels are rejected, the QoS will lower accordingly. In this paper, we propose a dynamic channel allocation strategy for QoS enhancement to enhance the QoS and reduce the rejection rate of idle channel requests. First of all, the channel availability model is modeled as a Continuous Time Markov Chain in a bid to calculate the channel availability which is used to compute the channel availability factor (CAF) and the channel availability threshold (CAT). Then, the dynamic channel allocation process is achieved based on the comparison result of CAF and CAT. Ultimately, the QoS is guaranteed by exploiting the earliest deadline first algorithm to forward packets and enhanced by using the packet segmentation algorithm to divide packets into packet flows. The simulation results prove that the proposed channel allocation strategy increases the packet delivery ratio and throughput, decreases the end‐to‐end delay and total overhead and shows a QoS enhancement than existing schemes.
Tetrachromophoric Systems Based On Rigid Tetraphenylmethane (TPM) and Tetraphenylethylene (TPE) Scaffolds
Authors: Villa Marco , Ceroni Paola , Fermi Andrea
Published: February 2022

Tetraphenylmethane (TPM) and tetraphenylethylene (TPE) are among the most common rigid molecular architectures able to spatially arrange four peripheral functional groups. The aim of this Review is to provide a thorough description of the properties that supramolecular systems consisting of four chromophores (common supramolecular motifs, ligands, redox centers and conventional luminophores such as polypyridyl ligands, viologens, and azobenzene units) attached to TPM and TPE cores can show. Specifically, the photophysical properties of these molecules as well as the electronic interactions of the chromophores either in the ground or in the excited states will be highlighted and discussed, outlining the relationship among cores and outer subunits.
Warfarin Dosing in Patients With CYP2C9*5 Variant Alleles
Authors: Lindley Kathryn J. , Limdi Nita A. , Cavallari Larisa H. , Perera Minoli A. , Lenzini Petra , Johnson Julie A. , Wu Alan H. B. , Ridker Paul M , King Cristi R. , Eby Charles S. , Patel Shitalben , Shah Shimoli V. , Beasley T. Mark , Li Juan , Gage Brian F.
Published: February 2022

Pharmacogenetic dosing improves the accuracy of warfarin dosing, but current pharmacogenetic dosing algorithms are less accurate in populations of African ancestry. The cytochrome P450 2C9*5 (CYP2C9*5) allele is found almost exclusively in populations of African ancestry, and in vitro studies suggest CYP2C9*5 is associated with reduced clearance of warfarin. The clinical relevance of this single‐nucleotide variation (SNV) (formerly SNP) is uncertain. In this multicentered study of 2,298 patients (49% female, 35% Black) taking warfarin, we quantified the association between the CYP2C9*5 allele and warfarin requirements. The CYP2C9*5 SNV was present in 2.3% of Black and 0.07% of White patients. Without taking CYP2C9*5 into account, pharmacogenetic algorithms that include other SNVs overestimated the warfarin dose by 30% (95% confidence interval (19–40%), P < 0.001), an average of 1.87 mg/day (SD 1.64) in heterozygotes (P < 0.001). Noncarriers required a slightly (0.23 mg/day, SD 2.09) higher than predicted dose. Genotyping for CYP2C9*5 corrected the potential overdose and halved overall dosing error in heterozygotes. Patients carrying CYP2C9*5 require a clinically relevant reduction in warfarin dose. Given the potential to improve the accuracy and safety of warfarin dosing in populations of African ancestry, we have incorporated this SNV into a nonprofit website to assist warfarin initiation (www.WarfarinDosing.org).
Förster Resonance Energy Transfer Rate and Efficiency in Plasmonic Nanopatch Antennas
Authors: Hamza Abdullah O. , Bouillard Jean‐Sebastien G. , Adawi Ali M.
Published: February 2022

Successful control of Förster resonance energy transfer (FRET) through the engineering of the local density of optical states (LDOS) will allow us to develop novel strategies to fully exploit this phenomenon in key enabling technologies. Here we present an experimental and theoretical study on the effect of the LDOS on the FRET rate and efficiency in plasmonic nanopatch antennas formed between a gold nanoparticle and an extended silver film. Our results reveal that plasmonic nanopatch antennas of similar levels of LDOS exhibit comparable levels of FRET rate and FRET efficiency, demonstrating that LDOS plays an important part in controlling both FRET rate and efficiency. Our findings contribute to the ongoing debate about the relation between the FRET process and the LDOS, as well as directly impacting the development of novel FRET based light harvesting and sensing devices.
Responsible digitalization through digital technologies and green practices
Authors: Cardinali Pier Giacomo , De Giovanni Pietro
Published: February 2022

Although digital technologies grant documented operational and economic benefits, they can activate unwanted consequences for the environment and society. This research investigates these issues by exploring how firms can create a portfolio of technologies to perform corporate social responsibility (CSR) goals and then achieving responsible digitalization. The latter is defined as the firms' capacity of adopting digital technologies without underperforming in terms of CSR. Accordingly, we investigate the relationships between digital technologies and CSR to discover the firms' capacity to achieve responsible digitalization targets. Furthermore, we explore how the use of some green practices allows firms to increase the chances of achieving responsible digitalization goals.