bluuebunny/crossref_metadata_2025 huggingface dataset:
Optimal Base Station Network Based on Topological Data Analysis
Authors: Lyu Minhao
Published: January 2022

The decision of which base stations need to be removed due to the cost is always a difficult problem, because the influence on the cover rate of the network caused by the removal should be kept to a minimum. However, the common methods to solve this problem such as K-means Clustering show a low accuracy. Barcode, which belongs to TDA, has the possibility to show the result by identifying the Persistent Homology of base station network. This essay mainly illustrates the specific problem of optimal base station network, which applies the TDA(Topological Data Analysis) methods to find which base stations need removing due to the cost K-means Clustering and Topological Data Analysis methods were mainly used. With the simulated distribution of telecommunication users, K-means Clustering algorithm was used to locate 30 best base stations. By comparing the minimum distance between the results (K=25 and K=30), K-means Clustering was used again to decide base station points to be removed. Then TDA was used to select which 5 base stations should be removed through observing barcode. By repeating above steps five times, Finally the average and variance of cover area in original network, K-means Clustering and TDA were compared. The experiment showed that the average cover rate of original network was 81.20% while the result of TDA and K-means Clustering were 92.13% and 89.87%. It was proved by simulation that it is more efficient to use TDA methods to construct the optimal base station network.
Influence of Seed Priming and Foliar Spray of Nutrients on Growth and Yield of Rabi Sorghum (Sorghum bicolor L.)
Authors: Satish P. , Sudharani C.
Published: January 2022

An experiment was carried out at Agricultural Research Station, Tandur, Professor Jayashankar Telangana State Agricultural University (PJTSAU) for three consecutive years viz. 2015-16, 2016-17 and 2017-18 to study the Influence of seed priming and foliar spray of nutrients on growth and yield of Rabi Sorghum during the winter seasons. The experiment was laid out in split plot design with two factors. The treatments comprised were Factor 1: Seed priming (5) 1.Priming for 12 Hours in Water 2.Priming with ZnSo4 (2% solution) 3.Priming with K2HPO4 (2% solution). 4. Priming with KNO3 (2% solution) and 5.Control (No Priming). Factor 2: Foliar Spray (4) 1.KNO3 @ 2g in 100 ml of water, 2. Diammonium phosphate @ 2g in 100 ml of water, 3.Urea @ 2g in 100 ml of water and 5.Control (Simple water spray) with three replications. The pooled results of the trial indicated that seed treatment with KNO3 @ 0.5% and seed priming with KH2PO4 @ 0.5% recorded significantly on par and highest among all other seed priming treatment. The 100 seed weight (g) and grain yield t/ha recorded significantly on par by foliar spraying of KNO3 @ 2 % and di ammonium phosphate @ 2g in 100 ml of water over the control. The combination of seed priming with KNO3 and foliar spray of KNO3 or di ammonium phosphate @ 2g in 100 ml of water or Urea @ 2g in 100 ml of water resulted in highest and on par grain yield of rabi sorghum.
Influence of Biodegradable Polymer Coated Urea on Nitrogen Uptake and Utilization of Maize (Zea mays L)
Authors: Balaganesh B. , Malarvizhi P. , Chandra Sekaran N. , Jeyakumar P. , Latha K. R. , Lakshmanan A.
Published: January 2022

Controlled release nitrogen fertilizers could be an excellent management approach for improving nitrogen fertilizer efficiency. The present study aimed to investigate the effect of coated urea fertilizers to increase nitrogen uptake and utilization of maize. The nitrogen use efficiency of maize from various biodegradable polymer-coated urea fertilizers, such as palm stearin coated urea (PSCU), pine oleoresin coated urea (POCU), and humic acid coated urea (HACU), was determined in a pot culture experiment conducted at the Department of Soil Science and Agricultural Chemistry, Tamil Nadu Agricultural University, Coimbatore, during 2021. The coating materials have been coated on urea with different coating thicknesses, viz., PSCU - 5, 10, 15%, POCU – 2, 4, 6%, and HACU - 5, 10, 15%. Among all the treatments, T11: HACU 15% produced highest grain yield (72.0g plant-1) followed by T7: POCU 4% (69.7 g plant-1) and T4: PSCU 10% (69.0g plant-1). In terms of dry matter production, T10: PSCU 10% produced maximum dry matter (186.5g plant-1), followed by T11: HACU 15% (186.2 g plant-1), and T7: POCU 4% (185.3g plant-1). The nitrogen uptake by the maize plant was higher in T7: POCU 4 % (1.62g plant-1), followed by T11: HACU 15% (1.59 g plant-1) and T4: PSCU 10% (1.59g plant-1). Irrespective of treatments, the highest nitrogen utilization by the maize crop was found in T7: POCU 4% (73.9%) followed by T4: PSCU 10% (71.1%) and T11: HACU 15% (70.9%) treatments. When compared to uncoated urea fertilizer, all coated urea fertilizers outperformed uncoated urea fertilizer in terms of grain yield, dry matter accumulation, and nitrogen uptake. To improve the nitrogen use efficiency, coated urea fertilizers prove to be a promising alternative to uncoated urea fertilizers.
A gastrointestinal Stromal Tumor of the Small Bowel Presenting as an Acute Peritonitis: A Case Report
Authors: Hajri Amal , Yaqine Karim , Elwassi Anas , Erguibi Driss , Boufettal Rachid , ElJai Saad Rifki , Chehab Farid
Published: January 2022

Introduction: Gastrointestinal stromal tumors (GISTs) are the most common mesenchymal tumors in the gastrointestinal tract, GISTs of the small bowel presenting as an acute peritonitis are rare, which necessitates emergency surgery.

Presentation of Case: A 44-year-old women presented with severe abdominal pain and nausea. Physical examination revealed a tenderness and muscular defense around the lower abdomen. Laboratory data showed an elevated white blood cell count and C-reactive protein level. An enhanced computed tomography (CT) scan showed a 8 × 10 cm cystic mass in the lower abdomen, which contained air. Emergency laparotomy showed a giant perforated tumor that arose from the ileum, the tumor and affected segment of ileum were resected. the tumor was diagnosed as GIST in low-risk category, and imatinib mesylate was initiated, The patiente had an uneventful postoperative course and remains well.

Discussion and Conclusion: Such rare cases can be diagnosed and treated properly with careful clinical evaluation, Computed tomography (CT) is the gold standard for imaging that is used to characterize any abdominal mass. Surgical resection is still the first-line treatment for patients with primary localized and resectable small bowel GIST and adjuvant chemotherapy with imatinib mesylate is indicated in patients with high-risk small bowel GIST.
Stipendium
(military pay)
Authors: Wesch‐Klein Gabriele
Published: January 2022

The attractiveness of military service in the Roman imperial period was grounded in a high degree of social security and in a regular income received over a long period. The income of a Roman soldier depended on the standing of his unit and on his own rank. Soldiers who served in the legions earned more money than auxiliary soldiers, and cavalrymen were better paid than foot soldiers.
3D Printing of Liquid Crystalline Hydroxypropyl Cellulose—toward Tunable and Sustainable Volumetric Photonic Structures
Authors: Chan Chun Lam Clement , Lei Iek Man , van de Kerkhof Gea T. , Parker Richard M. , Richards Kieran D. , Evans Rachel C. , Huang Yan Yan Shery , Vignolini Silvia
Published: January 2022

Additive manufacturing is becoming increasingly important as a flexible technique for a wide range of products, with applications in the transportation, health, and food sectors. However, to develop additional functionality it is important to simultaneously control structuring across multiple length scales. In 3D printing, this can be achieved by employing inks with intrinsic hierarchical order. Liquid crystalline systems represent such a class of self‐organizing materials; however, to date they are only used to create filaments with nematic alignment along the extrusion direction. In this study, cholesteric hydroxypropyl cellulose (HPC) is combined with in situ photo‐crosslinking to produce filaments with an internal helicoidal nanoarchitecture, enabling the direct ink writing of solid, volumetric objects with structural color. The iridescent color can be tuned across the visible spectrum by exploiting either the lyotropic or thermotropic behavior of HPC during the crosslinking step, allowing objects with different colors to be printed from the same feedstock. Furthermore, by examining the microstructure after extrusion, the role of shear within the nozzle is revealed and a mechanism proposed based on rheological measurements simulating the nozzle extrusion. Finally, by using only a sustainable biopolymer and water, a pathway toward environmentally friendly 3D printing is revealed.
Mechanically Competent Chitosan‐Based Bioadhesive for Tendon‐to‐Bone Repair
Authors: Fang Fei , Linstadt Roscoe T. H. , Genin Guy M. , Ahn Kollbe , Thomopoulos Stavros
Published: January 2022

Current suture‐based surgical techniques used to repair torn rotator cuff tendons do not result in mechanically competent tendon‐to‐bone attachments, leading to high postoperative failure rates. Although adhesives have been proposed to protect against sutures tearing through tendon during healing, no currently available adhesive meets the clinical needs of adhesive strength, biocompatibility, and promotion of healing. Here, a biocompatible, graded, 3,4‐dihydroxy phenyl chitosan (BGC) bioadhesive designed to meet these needs is presented. Although 3,4‐dihydroxy phenyl chitosan (DP‐chitosan) bioadhesives are biocompatible, their adhesion strength is low; soluble oxidants or cross‐linking agents can be added for higher bonding strength, but this sacrifices biocompatibility. These challenges are overcome by developing a periodate‐modified ion exchange resin‐bead filtration system that oxidizes catechol moieties to quinones and filters off the activating agent and resin. The resulting BGC bioadhesive exhibited sixfold higher strength compared to commercially available tissue adhesives, with strength in the range necessary to improve tendon‐to‐bone repair (≈1MPa, ≈20% of current suture repair strength). The bioadhesive is biocompatible and promoted tenogenesis; cells exposed to the bioadhesive demonstrated enhanced expression of collagen I and the tenogenic marker Scx. Results demonstrated that the bioadhesive has the potential to improve the strength of a tendon‐to‐bone repair and promote healing.
Nonlocality‐Enabled Pulse Management in Epsilon‐Near‐Zero Metamaterials
Authors: Stefaniuk Tomasz , Nicholls Luke H. , Córdova‐Castro R. Margoth , Nasir Mazhar E. , Zayats Anatoly V.
Published: January 2022

Ultrashort optical pulses are integral to probing various physical, chemical, and biological phenomena and feature in a whole host of applications, not least in data communications. Super‐ and subluminal pulse propagation and dispersion management (DM) are two of the greatest challenges in producing or counteracting modifications of ultrashort optical pulses when precise control over pulse characteristics is required. Progress in modern photonics toward integrated solutions and applications has intensified this need for greater control of ultrafast pulses in nanoscale dimensions. Metamaterials, with their unique ability to provide designed optical properties, offer a new avenue for temporal pulse engineering. Here an epsilon‐near‐zero metamaterial is employed, exhibiting strong nonlocal (spatial dispersion) effects, to temporally shape optical pulses. The authors experimentally demonstrate, over a wide bandwidth of tens of THz, the ability to switch from sub to superluminal and further to “backward” pulse propagation (±c/20) in the same metamaterial device by simply controlling the angle of illumination. Both the amplitude and phase of a 10 ps pulse can be controlled through DM in this subwavelength device. Shaping ultrashort optical pulses with metamaterials promises to be advantageous in laser physics, optical communications, imaging, and spectroscopy applications using both integrated and free‐standing devices.
Coordination‐Induced Defects Elimination of SnO2 Nanoparticles via a Small Electrolyte Molecule for High‐Performance Inverted Organic Solar Cells
Authors: Gao Huaizhi , Wei Xueqi , Yu Runnan , Cao Fong‐Yi , Gong Yongshuai , Ma Zongwen , Cheng Yen‐Ju , Hsu Chain‐Shu , Tan Zhan'ao
Published: January 2022

Tin oxide (SnO2) is broadly used as an electron transport layer (ETL) in organic solar cells (OSCs). However, there are many hydroxyl groups and the defects of oxygen vacancy on the surface of SnO2, resulting in charge recombination. Herein, an electrolyte 4‐(dimethyl(pyridin‐2‐yl) ammonio)butane‐1‐sulfonate (PAS) is doped into SnO2 films with an appropriate proportion to improve the performance of the inverted OSCs. The PAS can coordinate with the Sn atoms in SnO2 films to reduce the surface defects, resulting adjustable work function and increased electron conductivity. Meanwhile, the PAS doping can decrease the surface energy of SnO2 layer, forming vertical phase distribution of the active layer for better exciton dissociation and charge transport. The PM6:Y6 based inverted OSC with SnO2 ETL shows a power conversion efficiency (PCE) of 14.72%, while the device with PAS‐doped SnO2 ETL demonstrates greatly enhanced PCE of 16.37%. The device performance can be further improved by using PM6:BTP‐eC9 as active layer and a PCE of 17.12% can be achieved with PAS‐doped SnO2 ETL. Furthermore, PAS‐doped SnO2 can effectively enhance the device stability under continuous illumination. These findings demonstrate that exquisite regulation of SnO2 layer via a small electrolyte molecule coordination is a promising approach to achieve efficient and stable inverted OSCs.
Contact Resistivity in Edge‐Contacted Graphene Field Effect Transistors
Authors: Lee Sungwon , Choi Hyungyu , Moon Inyong , Shin Hoseong , Watanabe Kenji , Taniguchi Takashi , Yoo Won Jong
Published: January 2022

A great challenge is presented when metals have contact with a 2D semiconducting material because the contact resistances (Rc) induced at the metal‐graphene interfaces hinder the performances of 2D devices, and therefore low resistance Ohmic contacts need to be developed to achieve unique and high performance of the 2D devices. This study demonstrates that edge‐contacted graphene devices of multiple stacked 2D hetero‐structures with hexagonal boron nitride (hBN) exhibit superior performances in carrier transport across channel and contact regions, compared to surface‐contacted devices. In surface‐contacted graphene devices, Rc and contact resistivity (ρc) are calculated by applying the modified transfer length (LT*) obtained from the contact‐end‐resistance method, while Rc and ρc in edge‐contacted graphene devices are estimated by replacing the LT* with the thickness of graphene. The edge‐contacted device is fabricated via a controlled plasma etching that allows each layer of graphene and hBN consisting hetero‐structures to be removed evenly at a uniform speed. Four‐point probe measurements are conducted in addition to transmission line method and confirms that ρc is lower for edge contact than surface contact. ρc of a graphene edge‐contacted device (≈10 Ω µm2) is much lower than that of a surface‐contacted device (≈230 Ω µm2).
Uniformly Controlled Treble Boundary Using Enriched Adsorption Sites and Accelerated Catalyst Cathode for Robust Lithium–Sulfur Batteries
Authors: Chu Rongrong , Nguyen Thanh Tuan , Bai Yanqun , Kim Nam Hoon , Lee Joong Hee
Published: January 2022

Rechargeable lithium–sulfur batteries (LSBs) are recognized as a promising candidate for next‐generation energy storage devices because of their high theoretical specific capacity and energy density. However, the insulating of sulfur, Li2S2/Li2S, and the shuttling effect of high order lithium polysulfides (LiPSs) hinder its practical applications. Herein, a heterostructure is explored to enhance the conversion reaction kinetics and adsorption ability of LiPSs. By rationally designing a conductive carbon framework and polar metal sites, both experimental and theoretical results show strong adsorption abilities for dissolved LiPSs and promote the conversion reaction rate. A CoSe2/Co3O4@NC‐CNT/S cathode shows an excellent rate performance (≈1457 mAh g−1 at 0.1 C and still retains ≈688 mAh g−1 at a high rate of 5 C). When performing charge–discharge in long‐term stability at 2 C, the CoSe2/Co3O4@NC‐CNT/S cathode delivers a high initial specific capacity of ≈780 mAh g−1 and retains ≈602 mAh g−1 after 500 cycles with an excellent Coulombic efficiency of ≈95.4%. Remarkably, the battery can entirely operate even at a very high sulfur loading of ≈10.1 mg cm−2 and lean electrolyte condition. This work emphasizes a new strategy to rationally design heterostructures that can encourage the industrial application of LSBs.
An Autonomous Chemically Fueled Artificial Protein Muscle
Authors: Huber Matthias C. , Jonas Uwe , Schiller Stefan M.
Published: January 2022

Complex multimaterial networks of the human body, for example, muscles, enable dynamic autonomous movements. Bioinspired mimicry of muscular systems is of great interest in soft robotics and biomedicine. Currently a broad range of synthetic macromolecules and natural or modified biomacromolecules imitate muscular systems, but no protein muscles with mechanoactive protein components are realized. Biomimetic bio‐based muscle systems allow to combine the potential of nature's high‐performance proteins, for example, silk, resilin, elastin, or titin, with novel adaptive and functional properties and sustainable biotechnological production. While biological protein motors and muscles are powered by the hydrolysis of adenosine triphosphate, no synthetic bio‐based muscles are described, operating autonomously using chemical energy to exert directional movements. Herein, an artificial protein muscle is introduced, exerting rhythmic autonomous movements via nonequilibrium states driven by chemically fueled pH oscillation reactions. Key to the design are recombinantly produced human matrix proteins selectively reengineered to respond to different stimuli. The results also show how directional movements can be independently triggered by changes in pH and temperature including a selective on‐switch and a combination of nonequilibrium states enabling “learning and oblivion”‐like material effects. This paves the road for the next generation of autonomous materials in pharmacy, soft robotics and living matter.
Insights from an ancient gymnosperm lineage: ambient temperature and light and the timing of thermogenesis in cycad cones
Authors: Roemer Robert B. , Irene Terry L. , Booth David T. , Walter Gimme H.
Published: January 2022

Premise

Although maintaining the appropriate mid‐day timing of the diel thermogenic events of cones of the dioecious cycadsMacrozamia lucidaandM. macleayiis central to the survival of both plant and pollinator in this obligate pollination mutualism, the nature of the underlying mechanism remains obscure. We investigated whether it is under circadian control. Circadian mechanisms control the timing of many ecologically important processes in angiosperms, yet only a few gymnosperms have been studied in this regard.

Methods

We subjected cones to different ambient temperature and lighting regimens (constant temperature and darkness; stepwise cool/warm ambient temperatures in constant darkness; stepwise dark/light exposures at constant temperature) to determine whether the resulting timing of their thermogenic events was consistent with circadian control.

Results

Cones exposed to constant ambient temperature and darkness generated multiple temperature peaks endogenously, with an average interpeak‐temperature period of 20.7 (±0.20) h that is temperature‐compensated (Q10 = 1.02). Exposure to 24‐h ambient temperature cycles (12 h cool/12 h warm, constant darkness) yielded an interpeak‐temperature period of 24.0 (±0.05) h, accurately and precisely replicating the ambient temperature period. Exposure to 24‐h photo‐cycles (12 h light/12 h dark, constant ambient temperature) yielded a shorter, more variable interpeak‐temperature period of 23 (±0.23) h.

Conclusions

Our results indicate that cycad cone thermogenesis is under circadian clock control and differentially affected by ambient temperature and light cycles. Our data from cycads (an ancient gymnosperm lineage) adds to what little is known about circadian timing in gymnosperms, which have rarely been studied from the circadian perspective.
Expanded cardiovascular phenotype of Myhre syndrome includes tetralogy of Fallot suggesting a role for SMAD4 in human neural crest defects
Authors: Cappuccio Gerarda , Brunetti‐Pierri Nicola , Clift Paul , Learn Christopher , Dykes John C. , Mercer Catherine L. , Callewaert Bert , Meerschaut Ilse , Spinelli Alessandro Mauro , Bruno Irene , Gillespie Matthew J. , Dorfman Aaron T. , Grimberg Adda , Lindsay Mark E. , Lin Angela E.
Published: January 2022

Tetralogy of Fallot (ToF) can be associated with a wide range of extracardiac anomalies, with an underlying etiology identified in approximately 10% of cases. Individuals affected with Myhre syndrome due to recurrent SMAD4 mutations frequently have cardiovascular anomalies, including congenital heart defects. In addition to two patients in the literature with ToF, we describe five additional individuals with Myhre syndrome and classic ToF, ToF with pulmonary atresia and multiple aorto‐pulmonary collaterals, and ToF with absent pulmonary valve. Aorta hypoplasia was documented in one patient and suspected in another two. In half of these individuals, postoperative cardiac dysfunction was thought to be more severe than classic postoperative ToF repair. There may be an increase in right ventricular pressure, and right ventricular dysfunction due to free pulmonic regurgitation. Noncardiac developmental abnormalities in our series and the literature, including corectopia, heterochromia iridis, and congenital miosis suggest an underlying defect of neural crest cell migration in Myhre syndrome. We advise clinicians that Myhre syndrome should be considered in the genetic evaluation of a child with ToF, short stature, unusual facial features, and developmental delay, as these children may be at risk for increased postoperative morbidity. Additional research is needed to investigate the hypothesis that postoperative hemodynamics in these patients may be consistent with restrictive myocardial physiology.
Primary prevention recommendations to reduce the risk of cognitive decline
Authors: Sabbagh Marwan N. , Perez Adriana , Holland Thomas M. , Boustani Malaz , Peabody Stephanie R. , Yaffe Kristine , Bruno Michelle , Paulsen Russell , O'Brien Kelly , Wahid Naila , Tanzi Rudolph E.
Published: January 2022

Introduction

Few resources address steps clinicians can take to help patients reduce their risk of dementia, despite growing recognition that brain health can be optimized and that risk reduction for cognitive decline can be accomplished by lifestyle modifications.

Methods

To address this gap, UsAgainstAlzheimer's convened a risk reduction workgroup (RRWG) to review existing evidence and develop recommendations for primary care clinicians discussing cognitive decline and risk reduction with their patients. 

Results

The RRWG produced 11 consensus‐based recommendations and implementation strategies across six topics: neurovascular risk management, physical activity, sleep, nutrition, social isolation, and cognitive stimulation. 

Discussion

These recommendations are a first step for clinicians to address brain health with patients and potentially help them prevent cognitive decline. To ensure there is routine care for brain health, proper incentives and policies must be instituted and more education for consumers should be provided.
Tuberculous meningitis with good outcome following appropriate timing of ventriculoperitoneal shunting for hydrocephalus
Authors: Nakao Junzo , Fujita Keishi , Ishii Kazuhiro , Akutsu Yoshimitsu , Hara Takuma , Kamezaki Takao , Ishikawa Eiichi
Published: January 2022

Background

Tuberculous meningitis is often associated with hydrocephalus. However, the appropriate timing for shunt placement to treat hydrocephalus remains controversial.

Case Presentation

A 43‐year‐old man presented with high fever and disturbance of consciousness. Cerebrospinal fluid (CSF) findings showed pleocytosis, increased protein levels, and hypoglycemia with an elevated pressure of 30 cm H2O. Brain magnetic resonance imaging revealed cerebral infarctions and hydrocephalus resulting in suspicion of tuberculous meningitis. A few days after admission, external ventricular drainage was carried out for acute hydrocephalus. Four antitubercular drugs (isoniazid, rifampicin, pyrazinamide, and ethambutol) as well as dexamethasone sodium phosphate were given. The CSF polymerase chain reaction test for tuberculosis was found to be positive 2 weeks later. Once CSF protein levels improved, a ventriculoperitoneal shunting operation was undertaken.

Conclusions

When tuberculous meningitis is suspected, treatment with antitubercular drugs should be initiated prior to definitive diagnosis, and a shunt surgery should be carried out in a timely manner.
Personalized fMRI Delineates Functional Regions Preserved within Brain Tumors
Authors: Cui Weigang , Wang Yinyan , Ren Jianxun , Hubbard Catherine S. , Fu Xiaoxuan , Fang Shengyu , Wang Danhong , Zhang Hao , Li Yang , Li Luming , Jiang Tao , Liu Hesheng
Published: January 2022

Objective

Accumulating evidence from invasive cortical stimulation mapping and noninvasive neuroimaging studies indicates that brain function may be preserved within brain tumors. However, a noninvasive approach to accurately and comprehensively delineate individual‐specific functional networks in the whole brain, especially in brain tissues within and surrounding tumors, is still lacking. The purpose of the study is to develop a clinically useful technique that can map functional regions within tumoral brains.

Methods

We developed an individual‐specific functional network parcellation approach using resting state functional magnetic resonance imaging (rsfMRI) that effectively captured functional networks within and nearby tumors in 20 patients. We examined the accuracy of the functional maps using invasive cortical stimulation and task response.

Results

We found that approximately 33.2% of the tumoral mass appeared to be functionally active and demonstrated robust functional connectivity with non‐tumoral brain regions. Functional networks nearby tumors were validated by invasive cortical stimulation mapping. Intratumoral sensorimotor networks mapped by our technique could be distinguished by their distinct cortico‐cerebellar connectivity patterns and were consistent with hand movement evoked fMRI task activations. Furthermore, in some patients, cognitive networks that were detected in the tumor mass showed long‐distance and distributed functional connectivity.

Interpretation

Our noninvasive approach to mapping individual‐specific functional networks using rsfMRI represents a promising new tool for identifying regions with preserved functional connectivity within and surrounding brain tumors, and could be used as a complement to presurgical planning for patients undergoing tumor resection surgery. ANN NEUROL 2022;91:353–366
Main‐Chain Fluoropolymers with Alternating Sequence Control via Light‐Driven Reversible‐Deactivation Copolymerization in Batch and Flow
Authors: Chen Kaixuan , Zhou Yang , Han Shantao , Liu Yinli , Chen Mao
Published: January 2022

Polymers with regulated alternating structures are attractive in practical applications, particularly for main‐chain fluoropolymers. We for the first time enabled controlled fluoropolymer synthesis with alternating sequence regulation using a novel fluorinated xanthate agent via a light‐driven process, which achieved on‐demand copolymerization of chlorotrifluoroethylene and vinyl esters/amides under both batch and flow conditions at ambient pressure. This method creates a facile access to fluoropolymers with a broad fraction range of alternating units, low dispersities and high chain‐end fidelity. Moreover, a two‐step photo‐flow platform was established to streamline the in‐situ chain‐extension toward unprecedented block copolymers continuously from fluoroethylene. Influences of structural control were illustrated with thermal and surface properties. We anticipate that this work will promote advanced material engineering with customized fluoropolymers.
Synthesis, characterization, DNA binding, and biological action of dimedone arylhydrazone chelates
Authors: El‐Bindary Mohamed A. , El‐Bindary Ashraf A.
Published: January 2022

A chain of metal(II) chelates that M = Co2+, Ni2+, and Cu2+have been produced from 2‐(4‐sulfadiazine)hydrazono dimedone (HL) and characterized on analyses of elemental, Fourier‐transform infrared (FTIR) spectra, electronic, susceptibility to magnetic fields, and molar conductance. The chelates are nonelectrolytes, according to measurements of conductance. Spectroscopy methods and additional analytical measurements detect pseudo octahedral shape of Co2+and Ni2+chelates, but square planar structure for Cu2+chelate. The ligand (HL) acts as a monobasic bidentate ligand by coordinating via oxygen atom of the carbonyl (C═O) group and the nitrogen atom of the hydrazone moiety (NH) with deprotonation. The enhanced, bond angles, bond lengths, and quantum chemical factors were used to determine the ligand and its complexes. Absorption spectra method and measurements of viscosity were used to investigate DNA linking activity. In the viability experiment of vinblastine and colchicine, the findings of synthesized compounds against the human cancer cell lines MCF‐7 and HepG‐2 were reported in contrast to positive controls. The antioxidant function of chelates is resolute by means of the free radical‐scavenging analyze (DPPH). As a final point, the antimicrobial effects of the chelates were studied utilizing the diffusion disc technique on fungal (Candida albicans), gram‐positive (Staphylococcus aureus), and gram‐negative (Escherichia coli) bacteria.
Quaternary ammonium‐based mitochondria targeting anticancer agents with high water solubility
Authors: Kim Sangpil , Yoon Nam Gu , Jana Batakrishna , Kang Byoung Heon , Ryu Ja‐Hyoung
Published: January 2022

Triphenylphosphonium derivatives induce mitochondrial dysfunction by inhibiting the respiratory chain, membrane depolarization, and generation of reactive oxygen species. However, the clinical application has been limited due to low aqueous solubility. In this regard, a series of novel mitochondria targeting agents were designed by introducing quaternary ammonium that increases aqueous solubility. Among them, diquaternary ammonium containing triphenylphosphonium molecules specifically inhibited mitochondrial respiratory chain, disrupted mitochondrial proteostasis, and intra‐mitochondrial protein in cancer cells, resulting in apoptosis induction. Overall, the high water‐soluble mitochondria targeting agents would be a potential anticancer drug.
Development and validation of LC–QTOF–MS/MS method for the identification and determination of low levels of a genotoxic impurity, 4,6‐dichloro‐5‐nitro‐2‐(propylthio)pyrimidine in ticagrelor API
Authors: Moorthy Manchuri Krishna , Ali Shaik Mahammad , Reddy Gopireddy Venkata Subba
Published: January 2022

The foremost objective of the present study was to develop and validate a new LC–QTOF–MS/MS method for the identification and quantitative determination of 4,6‐dichloro‐5‐nitro‐2‐(propylthio)pyrimidine (DPP) genotoxic impurity through the derivatization process in ticagrelor active pharmaceutical ingredient (API). Owing to the low response of DPP at the specification level, DPP was converted to 4,6‐dibenzylamino‐5‐nitro‐2‐(propylthio)pyrimidine (DPP derivative) by addition of benzyl amine, then analyzed using mass spectrometry with a time‐of‐flight analyzer, and good separation was accomplished under the experimental conditions described. The effective separation of DPP derivative was achieved using an Acquity UPLC BEH C18 reverse‐phase column (100 × 4.6 mm × 1.7 μm) with an isocratic program with mobile phase A as 0.1% formic acid in milli Q water and mobile phase B as acetonitrile in the ratio of 20:80 v/v. The flow rate was maintained as 0.4 ml/min, the injection volume was 2 μl, the autosampler temperature was 5°C, the column oven temperature was ambient and the run time was 6.0 min. The diluent used was 0.2% benzyl amine in water and acetonitrile in the ratio of 30:70 v/v. The retention time of the DPP derivative was 2.87 min. The limit of detection and limit of quantification were 0.03 and 0.08 ppm, respectively. The DPP derivative was linear from 1.68 to 12.78 ppm with R2 of 0.9958. Thus, the developed method is valid for the identification and quantitative determination of DPP derivative in ticagrelor API.
Clinical spectrum and management of dystonia in patients with Japanese encephalitis: A systematic review
Authors: Aryal Roshan , Shrestha Suraj , Homagain Sushan , Chhetri Sunit , Shrestha Kshitiz , Kharel Sanjeev , Karn Ragesh , Rajbhandari Reema , Gajurel Bikram Prasad , Ojha Rajeev
Published: January 2022

Background

Japanese encephalitis (JE) is a potentially fatal viral infection with a wide range of manifestations and can also present with a variety of movement disorders (MD) including dystonia. Dystonic features in JE are uncommon. Here, we have tried to summarize the clinical features and management of dystonia among JE patients with a comprehensive literature search.

Methods

Various databases, including PubMed, Embase, and Google Scholar, were searched against the predefined criteria using suitable keywords combination and boolean operations. Relevant information from observational and case studies was extracted according to the author, dystonic features, radiological changes in the brain scans, treatment options, and outcome wherever provided.

Result

We identified 19 studies with a total of 1547 JE patients, the diagnosis of which was confirmed by IgM detection in serum and/or cerebrospinal fluid in the majority of the patients (88.62%). 234 (15.13%) of JE patients had dystonia with several types of focal dystonia being present in 131 (55.98%) either alone or in combination. Neuroimaging showed predominant involvement of thalami, basal ganglia, and brainstem. Oral medications including anticholinergics, GABA agonists, and benzodiazepines followed by botulinum toxin were the most common treatment modalities.

Conclusion

Dystonia can be a disabling consequence of JE, and various available medical therapies can significantly improve the quality of life. Owing to insufficient studies on the assessment of dystonia associated with JE, longitudinal studies with a larger number of patients are warranted to further clarify the clinical course, treatment, and outcome of dystonia.
Exploring assessment practices of companies actively engaged with circular economy
Authors: Roos Lindgreen Erik , Opferkuch Katelin , Walker Anna M. , Salomone Roberta , Reyes Tatiana , Raggi Andrea , Simboli Alberto , Vermeulen Walter J. V. , Caeiro Sandra
Published: January 2022

An emerging research area is dedicated to developing approaches for assessing the ‘circularity’ of companies and their products, within the context of sustainability goals. However, empirical evidence on the uptake of these assessment approaches remains scarce. Using a purposive sampling, we conducted a survey receiving 155 responses and held 43 semi‐structured interviews with Dutch and Italian companies active in circular economy (CE), pursuing three research aims: to explore the use of CE and sustainability assessment approaches; to study the process of developing assessment approaches; and to uncover benefits of—and barriers to—CE assessment. While we find high variability of assessment approaches, most often, companies develop tailor‐made sustainability indicators and apply life cycle assessments to CE strategies. Importantly, assessment development for CE practices requires and facilitates collaboration with external stakeholders. Finally, we reflect on the paradox of standardisation versus tailoring of assessment approaches within the CE reality and recommend establishing company needs and capabilities before designing assessment approaches.
Integrating decision support tools into businesses for sustainable development: A paradoxical approach to address the food waste challenge
Authors: Somlai Roland
Published: January 2022

The food industry is increasingly using decision support tools to address the food loss and waste challenge. Extant food loss and waste tools predominantly focus on environmental metrics and do not sufficiently integrate important social and financial considerations. They have therefore been deemed to lack business readiness. This critical review aims to assess how tools can be integrated within organisations supporting the progress towards sustainability and what tensions are inherent in preventing and reducing food loss and waste (FLW). This review extends paradox theory by adding the dimensions of FLW and tools to previous research on paradoxes and sustainable development. The significance of the review is creating an opportunity for scholars and practitioners to rethink current business practices as necessary for addressing sustainability challenges. The review contributes to previous research in FLW‐reducing tools within the context of business responses to sustainability issues. The findings show the role of leadership in promoting participation and collaboration for positive environmental outcomes. These findings offer three practical recommendations for businesses: (1) simple yet comprehensive tools tailored to business needs can enhance decisions, (2) a paradoxical approach for considering food supply chain demands and (3) leaders should encourage individuals and teams to learn and collaborate for business success.
Biocatalytic Metal‐Organic Frameworks: Promising Materials for Biosensing
Authors: Huang Wei , Huang Siming , Chen Guosheng , Ouyang Gangfeng
Published: January 2022

The highly efficient and specific catalysis of enzymes allows them to recognize a myriad of substrates, which enables biosensing. However, the fragility of natural enzymes severely restricts their practical applications. Metal‐organic frameworks (MOFs) with porous networks and attractive functions have been intelligently employed as supports to encase enzymes and protect them against harsh environments. More importantly, customizable construction and composition affords the intrinsic enzyme‐like activity of some MOFs (known as nanozymes), which provides an alternative route for the construction of robust enzyme mimics. This review will introduce the concept of these biocatalytic MOFs, with special emphasis on how biocatalytic processes that operate in these materials can reverse the plight of native enzyme‐based biosensing. In addition, the present challenges and future outlooks in this research field are briefly discussed.
Generation and Characterization of Site‐Specifically Mono‐Ubiquitylated p53
Authors: Julier Alexandra , Radtke Vanessa , Marx Andreas , Scheffner Martin
Published: January 2022

The tumor suppressor p53 is regulated by various posttranslational modifications including different types of ubiquitylation, which exert distinct effects on p53. While modification by ubiquitin chains targets p53 for degradation, attachment of single ubiquitin moieties (mono‐ubiquitylation) affects the intracellular location of p53 and/or its interaction with chromatin. However, how this is achieved at the molecular level remains largely unknown. Similarly, since p53 can be ubiquitylated at different lysine residues, it remains unclear if the eventual effect depends on the position of the lysine modified. Here, we combined genetic code expansion with oxime ligation to generate p53 site‐specifically mono‐ubiquitylated at position 120. We found that mono‐ubiquitylation at this position neither interferes with p53 ubiquitylation by the E3 ligases HDM2 and E6AP in complex with the viral E6 oncoprotein nor affects p53 binding to a cognate DNA sequence. Thus, ubiquitylation per se does not affect physiologically relevant properties of p53.
A Peroxygenase‐Alcohol Dehydrogenase Cascade Reaction to Transform Ethylbenzene Derivatives into Enantioenriched Phenylethanols
Authors: Xu Xiaomin , Brasselet Hugo , Jongkind Ewald P. J. , Alcalde Miguel , Paul Caroline E. , Hollmann Frank
Published: January 2022

In this study, we developed a new bienzymatic reaction to produce enantioenriched phenylethanols. In a first step, the recombinant, unspecific peroxygenase from Agrocybe aegerita (rAaeUPO) was used to oxidise ethylbenzene and its derivatives to the corresponding ketones (prochiral intermediates) followed by enantioselective reduction into the desired (R)‐ or (S)‐phenylethanols using the (R)‐selective alcohol dehydrogenase (ADH) from Lactobacillus kefir (LkADH) or the (S)‐selective ADH from Rhodococcus ruber (ADH‐A). In a one‐pot two‐step cascade, 11 ethylbenzene derivatives were converted into the corresponding chiral alcohols at acceptable yields and often excellent enantioselectivity.
Editorial: Meet the new ChemCatChem Editorial Team
Authors: Gers‐Panther Charlotte F.
Published: January 2022

2021 has been a year full of changes for ChemCatChem but also full of opportunities. Editor‐in‐Chief Charlotte Gers‐Panther reflects on the highlights of the past twelve months and introduces the new ChemCatChem editorial team.
Closely Following Equivalent Circuit Changes during Operation of Graphene Dot Light‐Emitting Electrochemical Cells
Authors: Adsetts Jonathan Ralph , Whitworth Zackry , Chu Kenneth , Yang Liuqing , Zhang Congyang , Ding Zhifeng
Published: January 2022

Light‐emitting electrochemical cells (LECs) have presented themselves as an alternative to light emitting diodes (LEDs) because of the simple device design which is accompanied by a lower driving power. LECs operate by rearranging ion and electron transfers that create a p‐n junction at a sufficient voltage, permitting LEC emissions. However, this rearrangement is not well understood. Therefore, the ion and electron transfer processes of the device during ion rearrangement, operation and at excessive overpotentials must be characterized for LEC devices. This paper reports on investigation of these LEC processes using electrochemical impedance spectroscopy (EIS). All processes were successfully characterized with simple equivalent circuits. To the best of our knowledge, an inductive low frequency loop was observed in an LEC for the first time. We propose that this inductivity was due to the p‐n junction resistance to low frequency potential changes. Consistent observations and inverse proportionality between overpotential and inductance provided additional evidence for our proposal. This p‐n junction at low frequency opposition combined with LEC operational stability data can provide a basis for judging the chemical resistance to deterioration and charge storage capacity of p‐n junctions in the future. Furthermore, the techniques and equivalent circuits presented here will help to identify failure mechanisms and increase LEC operational lifetimes.
Unprecedented Impact of Main Chain on Comb Polymer Electrolytes Performances
Authors: Wang Xingxing , Song Ziyu , Wu Hao , Nie Jin , Feng Wenfang , Yu Hailong , Huang Xuejie , Armand Michel , Zhou Zhibin , Zhang Heng
Published: January 2022

Comb‐like polymers are one of the most auspicious candidates for building fully amorphous and highly conductive solid polymer electrolytes (SPEs), which are essential components to develop high‐performance solid‐state rechargeable lithium metal batteries (RLMBs). Herein, two kinds of comb‐like polymers containing either polymethacrylate or polyacrylate as main chains are comparatively investigated, aiming to illustrate the role of polymer backbones on the basic properties of SPEs. The comb‐like SPEs are fully amorphous, and exhibit significantly higher ionic conductivities at room temperature over traditional poly(ethylene oxide) (PEO)‐based ones (close to 10−4 S cm−1). In particular, the polymethacrylate‐based SPEs show significantly improved interfacial stability against lithium metal electrode compared with the polyacrylate‐based ones, due to the elimination of electrochemically labile C−H moiety at the alpha position of the carbonyl group (C=O) in the polyacrylate structure. The present work provides not only a new family of SPEs consisting of lithium bis(fluorosulfonyl)imide (LiFSI) and poly(methoxy‐polyethylene glycol methacrylate) (i.e., LiFSI/P(CH3‐MPEGMA)), with high ionic conductivities at room temperature but also insights into developing lithium‐metal‐friendly SPE for safe RLMBs.
Structure‐ and Interaction‐Based Design of Anti‐SARS‐CoV‐2 Aptamers
Authors: Mironov Vladimir , Shchugoreva Irina A. , Artyushenko Polina V. , Morozov Dmitry , Borbone Nicola , Oliviero Giorgia , Zamay Tatiana N. , Moryachkov Roman V. , Kolovskaya Olga S. , Lukyanenko Kirill A. , Song Yanling , Merkuleva Iuliia A. , Zabluda Vladimir N. , Peters Georgy , Koroleva Lyudmila S. , Veprintsev Dmitry V. , Glazyrin Yury E. , Volosnikova Ekaterina A. , Belenkaya Svetlana V. , Esina Tatiana I. , Isaeva Anastasiya A. , Nesmeyanova Valentina S. , Shanshin Daniil V. , Berlina Anna N. , Komova Nadezhda S. , Svetlichnyi Valery A. , Silnikov Vladimir N. , Shcherbakov Dmitriy N. , Zamay Galina S. , Zamay Sergey S. , Smolyarova Tatyana , Tikhonova Elena P. , Chen Kelvin H.‐C. , Jeng U‐Ser , Condorelli Gerolama , de Franciscis Vittorio , Groenhof Gerrit , Yang Chaoyong , Moskovsky Alexander A. , Fedorov Dmitri G. , Tomilin Felix N. , Tan Weihong , Alexeev Yuri , Berezovski Maxim V. , Kichkailo Anna S.
Published: January 2022

Aptamer selection against novel infections is a complicated and time‐consuming approach. Synergy can be achieved by using computational methods together with experimental procedures. This study aims to develop a reliable methodology for a rational aptamer in silico et vitro design. The new approach combines multiple steps: (1) Molecular design, based on screening in a DNA aptamer library and directed mutagenesis to fit the protein tertiary structure; (2) 3D molecular modeling of the target; (3) Molecular docking of an aptamer with the protein; (4) Molecular dynamics (MD) simulations of the complexes; (5) Quantum‐mechanical (QM) evaluation of the interactions between aptamer and target with further analysis; (6) Experimental verification at each cycle for structure and binding affinity by using small‐angle X‐ray scattering, cytometry, and fluorescence polarization. By using a new iterative design procedure, structure‐ and interaction‐based drug design (SIBDD), a highly specific aptamer to the receptor‐binding domain of the SARS‐CoV‐2 spike protein, was developed and validated. The SIBDD approach enhances speed of the high‐affinity aptamers development from scratch, using a target protein structure. The method could be used to improve existing aptamers for stronger binding. This approach brings to an advanced level the development of novel affinity probes, functional nucleic acids. It offers a blueprint for the straightforward design of targeting molecules for new pathogen agents and emerging variants.
Pediatricians call for “reproductive justice” for young patients
Authors: Knopf Alison
Published: January 2022

The current legal fight over abortion has far‐reaching implications, some of which are much less dramatic, but still critical for young people, according to a viewpoint published last year in JAMA Pediatrics describing how the “reproductive justice” movement fits in pediatrics.