bluuebunny/crossref_metadata_2025_split huggingface dataset:
Digital platforms for food waste reduction: The value for business users
Authors: Amaral Diego Gama , Orsato Renato J. 
Published: June 2022

AbstractFood loss and waste have generated environmental and social impacts around the world. One way to address this problem is to make the food supply chain more efficient through novel solutions to food distribution. A new sustainable business model called “digital business platforms for food waste reduction” is emerging to simplify the transaction and donation of food close to the expiration date, preventing its disposal and incineration. Based on multiple case studies, this research sought to answer: How do business users perceive value of digital platforms for food waste reduction? The results demonstrated that the success of a sustainable business model innovation needs to consider the user perception of value. The study reveals new sources of economic and strategic benefits and sacrifices that influence the users' adherence to digital platforms.
Development and validation of a nomogram to assess postoperative venous thromboembolism risk in patients with stage IA non‐small cell lung cancer
Authors: Cai Yongsheng , Dong Honghong , Li Xinyang , Liu Yi , Hu Bin , Li Hui , Miao Jinbai , Chen Qirui 
Published: June 2022

AbstractBackgroundVenous thromboembolism (VTE) is a common postoperative complication in patients with lung cancer that seriously affects prognosis and quality of life. At present, the detection rate of patients with early‐stage lung cancer is increasing, but there are few studies on the risk factors for postoperative venous thromboembolism (VTE) in patients with stage IA non‐small cell lung cancer (NSCLC). This study aimed to establish a nomogram for predicting the probability of postoperative VTE risk in patients with stage IA NSCLC.MethodsThe clinical data of 452 patients with stage IA NSCLC from January 2017 to January 2022 in our center were retrospectively analyzed and randomly divided into a training set and a validation set at a ratio of 7:3. Independent risk factors were identified by univariate and multivariate logistic regression analyses, and a nomogram was established based on the results and internally validated. The predictive power of the nomogram was evaluated by receiver operating characteristic curve (ROC), calibration curve, and decision curve analysis (DCA).ResultsThe nomogram prediction model included three risk factors: age, preoperative D‐dimer, and intermuscular vein dilatation. The areas under the ROC curve of this predictive model were 0.832 (95% CI: 0.732–0.924) and 0.791 (95% CI: 0.668–0.930) in the training and validation sets, respectively, showing good discriminative power. In addition, the probability of postoperative VTE occurrence predicted by the nomogram was consistent with the actual occurrence probability. In the decision curve, the nomogram model had a better net clinical benefit at a threshold probability of 5%–90%.ConclusionThis study is the first to develop a nomogram for predicting the risk of postoperative VTE in patients with stage IA NSCLC; this nomogram can accurately and intuitively evaluate the probability of VTE in these patients and help clinicians make decisions on prevention and treatment.
Target‐based virtual screening, computational multiscoring docking and molecular dynamics simulation of small molecules as promising drug candidate affecting kinesin‐like protein KIFC1
Authors: Khan Mohammad Kalim Ahmad , Ahmad Saheem , Rabbani Gulam , Shahab Uzma , Khan Mohd Shahnawaz 
Published: June 2022

AbstractThe kinesin family member C1 (KIFC1) is an essential protein that facilitates the bipolar division of neoplastic cells. Inhibiting KIFC1 by small molecules is a lucrative strategy to impede bipolar mitosis leading to the apoptosis of cancerous cells. The research aims to envisage small‐molecule inhibitors targeting KIFC1. The Mcule database, a comprehensive online digital platform containing more than five million chemical compounds, was used for structure‐based virtual screening (SBVS). Druglikeness filtration sifted 2,293,282 chemical hits that further narrowed down to 49 molecules after toxicity profiling. Finally, 39 compounds that comply with the BOILED‐Egg permeation predictive model of the ADME rules were carried forward for multiscoring docking using the AutoDock Vina inbuilt to Mcule drug discovery platform, DockThor and SwissDock tools. The mean of ΔGterms produced by docking tools was computed to find consensus top ligand hits. AZ82 exhibited stronger binding (Consensus ΔG: −7.99 kcal mol−1) with KIFC1 among reference inhibitors, for example, CW069 (−7.57 kcal mol−1) and SR31527 (−7.01 kcal mol−1). Ten ligand hits namely, Mcule‐4895338547 (Consensus ΔG: −8.69 kcal mol−1), Mcule‐7035674888 (−8.42 kcal mol−1), Mcule‐5531166845 (−8.53 kcal mol−1), Mcule‐3248415882 (−8.55 kcal mol−1), Mcule‐291881733 (−8.41 kcal mol−1), Mcule‐5918624394 (−8.44), Mcule‐3470115427 (−8.47), Mcule‐3686193135 (−8.18 kcal mol−1), Mcule‐3955355291 (8.09 kcal mol−1) and Mcule‐9534899193 (−8.01 kcal mol−1) depicted strong binding interactions with KIFC1 in comparison to potential reference inhibitor AZ82. The top four ligands and AZ82 were considered for molecular dynamics simulation of 50 ns duration. Toxicity profiling, physicochemical properties, lipophilicity, solubility, pharmacokinetics, druglikeness, medicinal chemistry attributes, average potential energy, RMSD, RMSF, SASA, ΔGsolv and Rg analyses forecast the ligand mcule‐4895338547 as a promising inhibitor of KIFC1.
Synergistic effects of BAY606583 on docetaxel in esophageal cancer through modulation of ERK1/2
Authors: Mohammadi Zinab , Asadi Jahanbakhsh , Jafari Seyyed Mehdi 
Published: June 2022

AbstractDocetaxel (DTX) is a taxane chemotherapy agent used to treat many types of cancers, including esophageal squamous cell carcinoma. Adenosine is a purinergic signaling molecule that contributes to cancer cell proliferation via A2B adenosine receptor (A2BAR) activation. Extracellular signal‐regulated protein kinase (ERK) plays a crucial role in cell proliferation in various types of cancers. Stimulation of A2BAR involves a regulated ERK signaling pathway, and might provide a fascinating approach for treatment, leading to decreased proliferation in certain tumors that express A2BAR. Recent studies demonstrated that DTX and A2BAR have anticancer effects. The current study was designed to investigate the synergistic effect of the A2BAR agonist (BAY606583) on DTX in inducing antiproliferation effects on esophageal squamous cells carcinoma (ESCCs). The cell viability was assessed using the MTT assay in KYSE‐30 and Ym‐1 cells. In addition, the synergistic effect of DTX on the A2BAR agonist was evaluated. Subsequently, apoptosis was assessed by Annexin‐V and propidium iodide staining, and Bcl‐2, Bax, and ERK1/2 protein‐level expressions were evaluated by Western blot. Use of BAY606583 and cotreatment of DTX and BAY606583 significantly decreased cell proliferation in KYSE‐30 and Ym‐1 cell lines. The use of BAY606583 and cotreatment of DTX with the A2BAR agonist induced apoptosis in KYSE‐30 and Ym‐1 cells. Western blot analysis revealed that the use of the A2BAR agonist and cotreatment of DTX with the A2BAR agonist inhibited the expression of apoptotic regulatory proteins as well as the expression of ERK1/2 proteins. Our findings suggested that use of BAY606583 and cotreatment of BAY606583/DTX have an antiproliferative effect on ESCC cell lines through ERK signaling pathway inhibition. BAY606583 has a synergistic effect on DTX, which could be used as an adjuvant for esophageal cancer therapy.
Repurposing a DNA‐Repair Enzyme for Targeted Protein Degradation
Authors: Fredlender Callie , Levine Samantha , Zimak Jan , Spitale Robert C. 
Published: June 2022

AbstractHerein we present the exploration of the utility of DNA demethylase enzymes for targeted protein degradation. Novel benzylguanine substrates are characterized for their ability to control protein degradation in cells. Our data demonstrate the utility of this approach to degrade fusion proteins in different localizations within living cells.
A perforated sigmoid colon cancer initially diagnosed as a tubo‐ovarian abscess: A teaching case
Authors: Maleki Asieh , Layegh Parvaneh , Seddighian Seyedeh Hoda , Khosravi Maedeh , Ariamanesh Mona , Dehghani Mansoureh 
Published: June 2022

AbstractGiven the wide range of differential diagnoses for adnexal masses, the key issue is the correct assessment of the initial location to rule out malignant or emergency cases. Here, we report a case of perforated sigmoid colon cancer initially diagnosed as a tubo‐ovarian abscess.
Preferred orientation in polycrystalline colossal electroresistive hollandite PbFexV6‐xO11
Authors: Halder Shuvajit , Ray Sugata 
Published: June 2022

AbstractPreferred orientation in polycrystalline materials is one of the most challenging problems for structural analysis. Significant preferred orientation can severely affect the structure‐property analysis of the systems having substantial crystallographic anisotropy. Here, an extremely high degree of preferred orientation has been demonstrated in R‐block hollandite hexagonal PbFexV6−xO11 compounds, which has recently been shown to exhibit an unusual colossal electroresistance response that has a strong dependence on structural modifications. The present results warn against possible errors in understanding the evolution of the crystal structure of these hollandites, which might adversely affect the estimation of the influence of the same on their spectacular physical properties.
Bioinspired Photocatalytic NADH Regeneration by Covalently Metalated Carbon Nitride for Enhanced CO2 Reduction
Authors: Zhang Yuanyuan , Liu Jian 
Published: June 2022

AbstractNatural photosynthesis is a highly unified biocatalytic system, which coupled cofactor (NAD(P)H) regeneration and enzymatic CO2 reduction efficiently for solar energy conversion. Mimicking nature, a novel system with Rh complex covalently grafted onto NH2‐functionalized polymeric carbon nitride (NH2‐PCN) was constructed. The integrated connection of the light‐harvesting and electron mediation modules as Rhm3‐N‐PCN could promote the efficient NAD+ reduction to NADH. As a result, the integrated system exhibited a conversion of ∼66 % within 20 minutes. By further coupling in situ generated NADH with formate dehydrogenase (FDH), a photoenzymatic production of formic acid (HCOOH) from CO2 was accomplished. Moreover, by immobilizing FDH onto a hydrophobic membrane, an enhanced HCOOH production of ∼5.0 mM can be obtained due to the concentrated CO2 on the gas‐liquid‐solid three‐phase interface. Our work herein provides an integrated strategy for coupling the anchored electron mediator with immobilized enzyme for enhanced artificial photosynthesis.
Relevance of Palladium to Radiopharmaceutical Development Considering Enhanced Coordination Properties of TE1PA
Authors: Pineau Julie , Lima Luís M. P. , Platas‐Iglesias Carlos , Zeevaart Jan Rijn , Driver Cathryn H. S. , Le Bris Nathalie , Tripier Raphaël 
Published: June 2022

AbstractInvited for the cover of this issue are the group of Raphaël Tripier and Nathalie Le Bris at the University of Brest (UMR CNRS 6521 CEMCA; France), Cathryn H. S. Driver from the South African Nuclear Energy Corporation in Pretoria (South Africa), and their collaborators. The image depicts the beginning of a new area of research into palladium and complexation of its radioisotopes for applications in nuclear medicine. Read the full text of the article at 10.1002/chem.202200942.
Variable Learning‐Memory Behavior from π‐Conjugated Ligand to Ligand‐Containing Cobalt(II) Complex†
Authors: Zhang Cheng , Chen Mohan , Wang Guan , Teng Ming , Ling Songtao , Wang Yanan , Su Zhaojun , Gao Kun , Yang Xinbo , Ma Chunlan , Li Yang , Zhang Qichun 
Published: June 2022

Comprehensive SummaryIn the information‐explosion era, developing novel algorithms and memristive devices has become a promising concept for next‐generation capacity enlargement technology. Organic small molecule‐based devices displaying superior learning‐memory performance have attracted much attention, except for the existence of poor heat‐resilience and mediocre conductivity. In this paper, a strategy of transforming an organic‐type data‐storage material to metal complex is proposed to resolve these intrinsic issues. A pristine NDI‐derivative (NIPy) and its corresponding Co(II) complex (CoNIPy) are synthesized for the purpose of electrical property investigation. CoNIPy complex‐based memristive device exhibits superior ternary WORM memory performance compared with the binary behavior of NIPy, including >104 s of reading, lower threshold voltage (Vth), 1: 102: 105 of OFF/ON1/ON2 current ratio, and long‐term stability in heating environment. The variable learning‐memory behavior can be attributed to the enhanced ligand‐to‐metal charge transfer (LMCT) and improved redox activity after the introduction of central metal atom and coordination bond. These studies on material innovation and optimal performance are of great importance not only for environmentally‐robust memristive devices but also for practical application of a host of organic electronic devices.
Fused deep learning based Facial Expression Recognition of students in online learning mode
Authors: Sumalakshmi Chundakath House , Vasuki Perumal 
Published: June 2022

SummaryIn this research work, Facial Expression Recognition (FER) is used in the analysis of facial expressions during the online learning sessions in the prevailing pandemic situation. An integrated geometric and appearance feature extraction is presented for the FER of the students participating in the online classes. The integrated features provided a low‐dimensional significant feature area for better facial data representation. Feasible Weighted Squirrel Search Optimization (FW‐SSO) algorithm is applied for selecting the optimal features due to its efficient exploration of the search space and enhancement of the dynamic search. The output of the FW‐SSO algorithm is used for tuning the autoencoder. Autoencoder is used for combining the G&A features, for feature optimization process. Classification is done by using Long Short‐Term Memory (LSTM) network with Attention Mechanism (ALSTM), as it is highly efficient in capturing the long‐term dependency of the facial landmarks in the image/video sequences. The proposed fused deep learning method focuses on the fusion of the G&A features for high discrimination. Experimental analysis using FER‐2013 and LIRIS datasets demonstrated that the proposed method achieved maximum accuracy of 85.96% than the existing architectures and maximum accuracy of 88.24% than the VGGNet‐CNN architecture.
Theoretical and experimental evaluation of SEPIC‐based DC–DC converters with two‐winding and three‐winding coupled inductors
Authors: Mahmoudi Mohsen , Ajami Ali , Babaei Ebrahim , Soleimanifard Javad 
Published: June 2022

AbstractIn this paper, an SEPIC‐based direct current–direct current (DC–DC) converter with high voltage gain and continuous input current is provided. Input current Continuity is a great advantage for renewable resources applications, and a small filter can be used in the output of these sources. Also in this paper, the effect of coupled inductor in three‐winding structure is discussed compared to the two‐winding coupled inductor. Precise analysis of converters based on two‐winding and three‐winding coupling inductors requires that the structures be similar so that the evaluation can be performed correctly. A comparison is performed between the two‐winding coupled inductor‐based converter and the improved converter to show the advantages of the proposed converter. All elements of the converter have been compared, and since both converters are different in terms of coupled inductor, complete analyses have been done in the field of calculating inductors. In addition to the features of the two‐winding coupled inductor converter, the proposed converter requires smaller coupled inductor to decrease the core size and increase the converter efficiency.
LncRNA LOC105378097 inhibits cardiac mitophagy in natural ageing mice
Authors: Liu Xin , Bai Xue , Liu Heng , Hong Yang , Cui Hao , Wang Lei , Xu Wanqing , Zhao Limin , Li Xiaohan , Li Huimin , Li Xia , Chen Hui , Meng Ziyu , Lou Han , Xu Henghui , Lin Yuan , Du Zhimin , Kopylov Philipp , Yang Baofeng , Zhang Yong 
Published: June 2022

AbstractBackgroundThe development of heart ageing is the main cause of chronic disability, disease and death in the elderly. Ample evidence has established a pivotal role for significantly reduced mitophagy in the ageing heart. However, the underlying mechanisms of mitophagy deficiency in ageing heart are little known. The present study aimed to explore the underlying mechanisms of lncRNA LOC105378097 (Senescence‐Mitophagy Associated LncRNA, lncR‐SMAL) actions on mitophagy in the setting of heart ageing.MethodsThe expression of lncR‐SMAL was measured in serum from different ages of human and heart from different ages of mice through a quantitative real‐time polymerase chain reaction. The effects of lncR‐SMAL on heart function of mice were assessed by echocardiography and pressure‐volume measurements system. Cardiac senescence was evaluated by hematoxylin‐eosin staining, senescence‐associated β‐galactosidase staining, flow cytometry and western blot analysis of expression of ageing related markes p53 and p21. Cardiomyocyte mitophagy was assessed by western blot, mRFP‐GFP‐LC3 adenovirus particles transfection and mito‐Keima staining. Interaction between lncR‐SMAL and Parkin was validated through molecular docking, RNA immunoprecipitation (RIP) and RNA pull‐down assay. Ubiquitination assay was performed to explore the molecular mechanism of Parkin inhibition. The effects of lncR‐SMAL on mitochondrial function were investigated through electron microscopic examination, JC‐1 staining and oxygen consumption rates analysis.ResultsThe heart‐enriched lncR‐SMAL reached the expression crest in the serum of human at an age of 60. Exogenously overexpression of lncRNA SMAL deteriorated cardiac function exactly as natural ageing and inhibited the associated cardiomyocytes mitophagy by depressing Parkin protein level. Improved heart ageing and mitophagy caused by Parkin overexpression were reversed by lncR‐SMAL in mice. In contrast, the loss of lncR‐SMAL in AC16 cells induced the upregulation of Parkin protein and ameliorated mitophagy and mitochondrial dysfunction, resulting in alleviated cardiac senescence. Besides, we found the interaction between lncR‐SMAL and Parkin protein through computational docking analysis, pull‐down and RIP assay. This would contribute to the promotive effect of lncR‐SMAL on Parkin ubiquitination and decrease Parkin protein stability.ConclusionsThe present study for the first time demonstrates a heart‐enriched lncRNA, SMAL, that inhibits the mitophagy of cardiomyocytes via the downregulation of Parkin protein, which further contributes to heart ageing and cardiac dysfunction in natural ageing mice.
Anion and Light Responsive Molecular Switches Based on Stilbene‐Appended Ru(II) Terpyridyl‐Imidazole Complexes That Mimic Advanced Boolean and Fuzzy Logic Operations
Authors: Pal Poulami , Sahoo Anik , Paul Animesh , Baitalik Sujoy 
Published: June 2022

AbstractRu(II) complexes comprising of a stilbene appended terpyridine motif and a pyridyl‐bis‐benzimidazole unit were utilized to mimic multiple Boolean and Fuzzy logic operations. Two imidazole NH motifs in the outer sphere of the complexes can lead to substantial variation of their spectral characteristics upon interaction with anions. We previously demonstrated that reversible trans‐cis isomerization of the complexes upon UV light irradiation gives rise to substantial alteration in their absorption and emission spectral profiles. Here, the major objective is to mimic multiple Boolean logic operations (NOR and IMPLICATION gates) as well as complicated functions of key‐pad lock, half‐subtractor and traffic signal by using the spectral responses of the complexes upon the action of light, acid and a set of anionic inputs. Fuzzy logic is also implemented to fabricate an infinite‐valued logic system based on their spectral outputs upon the action of multiple inputs.
Enhanced Nitrite Electrovalorization to Ammonia by a NiFe Layered Double Hydroxide
Authors: Wang Wanying , Tse Edmund C. M. 
Published: June 2022

AbstractThe development of non‐precious metal (NPM) electrocatalysts for efficient nitrite‐to‐ammonia upcycling is key to enabling a sustainable society. Here, an earth‐abundant NiFe layered double hydroxide (LDH) is prepared to electrochemically reduce nitrite with a Faradaic efficiency as high as 85 %, an ammonia selectivity reaching 98 %, and an ammonia yield rate up to 351 μmol h−1 mgcat−1, rivaling the performance metrics of state‐of‐the‐art NPM catalysts. NiFe LDH further displays excellent stability after 10 consecutive electrolysis runs with its nanostructure unperturbed. By conducting electroreduction of nitrite in a range of solutions, the electrolyte identity is found to play an important role in dictating the overall nitrite removal activity. Through a comparative study with MgFe and NiAl inorganic solids, Ni and Fe are demonstrated to boost nitrite valorization rate as well as ammonia selectivity and yield in a synergistic manner. Taken together, these low‐cost catalysts provide a promising strategy for one‐step conversion of nitrite into ammonia exclusively with implications in next‐generation wastewater treatment and green industrial commodity production.
Asymmetric Reduction of α,α‐Dichloro‐β‐Keto Esters by NADPH‐Dependent Ketoreductases
Authors: Giannopoulos Vasileios , Smonou Ioulia 
Published: June 2022

AbstractAn enzymatic approach for the asymmetric reduction of α,α‐dichloro‐β‐keto esters has been developed. With this highly efficient enzymatic method several enantiomerically pure (S)‐α,α‐dichloro‐β‐hydroxy esters have been synthesized. These valuable chiral intermediates were produced in optically pure form (>99 % ee, >99 % conversion) by NADPH‐dependent ketoreductase catalyzed reactions in a single synthetic step.
Synthesis of Hexaazatruxenes by Consecutive N−H/C−H Coupling Using a Hypervalent Iodine Reagent and Evaluation of Their Photophysical Properties
Authors: Wu Yuchen , Sasayama Takuma , Gotoh Takahiro , Ito Mamoru , Shibata Takanori 
Published: June 2022

AbstractTruxene is a C3‐symmetric compound with characteristic photophysical properties, and it has great potential as a light‐emitting material and building block. In this study, we demonstrate the synthesis of hexaazatruxenes using a two‐step protocol. First, the hexaazatruxene precursors were prepared through the Buchwald‐Hartwig amination of 1,3,5‐tribromobenzene with commercially available or easily prepared amino‐pyridine derivatives. Then, hexaazatruxenes were synthesized through consecutive N−H/C−H coupling using a hypervalent iodine reagent. To the best of our knowledge, this is the first report on the synthesis of truxenes containing more than three heteroatoms in the main skeleton.
Difluorocarbene‐Induced Ring Opening of Tetrahydrofuran with TMSCF2Br for Difluoromethoxybutylation of N‐Aryl‐N‐hydroxylamines
Authors: Zhu Xinjie , Wei Jun , Hu Chenxian , Xiao Qitao , Cai Lvtao , Wang Hao , Xie Yuanyuan , Sheng Rong 
Published: June 2022

AbstractIn this work, a novel difluorocarbene‐induced ring opening of THF with TMSCF2Br for difluoromethoxybutylation of N‐aryl‐N‐hydroxylamines under mild conditions is reported. The mechanism study revealed that THF was intermolecular activated by difluorocarbene, then the formed oxonium ylide was nucleophilic attacked by N‐aryl‐N‐hydroxylamines.