bluuebunny/crossref_metadata_2025_split huggingface dataset:
Prediction of 3D neighbours of molecular surface patches in
proteins by artificial neural networks
Authors: Dietmann S. , Frömmel C. 
Published: July 2002

Abstract
Motivation: Molecular Surface Patches (MSPs) of proteins are responsible for selective interactions between internal parts of one protein molecule or between protein and other molecules. The prediction of the neighbours of a distinct Secondary Structural Element (SSE) would be an important step for protein structure prediction.
Results: Based on a computational analysis of complementary molecular patches of SSEs, feed-forward Neural Networks (NNs) are trained on a large set of helices for predicting the neighbours of given MSPs. Accuracy of prediction is 96% if only two types of neighbours: solvent or ‘protein’ are considered, yet drops to 81% for three types of neighbours: (1) solvent, (2) helix/strand or (3) coil. Implications of the method for the prediction of protein structure and subunit interaction are discussed. As a special test case, the structurally equivalent helices of monomeric myoglobin and the homologous subunits of tetrameric haemoglobin are compared.
Availability: Programs are available on request from the authors.
Contact: dietmann@ebi.ac.uk; cornelius.froemmel@charite.de
* To whom correspondence should be addressed.
2 Present address: EMBL Qutstation EBI, Hinxton, Cambridge CB10 ISD, UK.
Association Between Inferior Turbinate Hypertrophy and Extraesophageal Reflux
Authors: Zeleník Karol , Javorská Zuzana , Taimrová Renata , Vrtková Adéla , Hránková Viktória , Tedla Miroslav , Lukáčová Kristína , Lubojacký Jakub , Formánek Martin , Komínek Pavel 
Published: June 2022

ImportanceTo the authors’ knowledge, no prior studies have examined the association between inferior turbinate hypertrophy (ITH) and extraesophageal reflux (EER). If EER were a cause or cofactor of ITH, antireflux treatment can be considered prior to surgical intervention.ObjectiveTo evaluate EER presence and severity in patients with different degrees of ITH.Design, Setting, and ParticipantsProspective multicentric cohort studyconducted at 3 referral centers treating patients with EER and certified for 24-hour monitoring of oropharyngeal pH. The monitoring was performed between October 2020 and October 2021.A total of 94 adult patients with EER symptoms were recruited, 90 of whom were analyzed.InterventionsNasal endoscopy was performed to determine the degree of ITH, according to the Camacho classification. Presence and severity of EER were examined using 24-hour monitoring of oropharyngeal pH.Main Outcomes and MeasuresPrimary outcomes were presence of EER according to RYAN Score, total percentage of time below pH 5.5, and total numbers of EER events below pH 5.5.ResultsOf the 90 analyzed patients (median [IQR] age, 46 [33-58] years; 36 [40%] male patients), 41 had a maximum of second-degree ITH (group 1), and 49 patients had at least third-degree ITH (group 2), according to the Camacho classification. On the basis of the RYAN Score, EER was diagnosed more often in group 2 (69.4%) than in group 1 (34.1%; difference, 35.3% [95% CI, 13.5%-56.9%]). Moreover, compared with group 1, group 2 exhibited higher median total percentage of time below pH 5.5 (median [IQR], group 1: 2.1% [0.0%-9.4%], group 2: 11.2% [1.5%-15.8%]; difference, 9.1% [95% CI, 4.1%-11.8%]) and higher median total number of EER events (median [IQR], group 1: 6 [1-14] events, group 2: 14 [4-26] events; difference, 8 [95% CI, 2-15] events). Patients with proven EER demonstrated no difference in the degree of ITH between the right and left nasal cavity (Cohen g, −0.17 [95% CI, −0.50 to 0.30]), or between the anterior and posterior parts of the nasal cavity (Cohen g, −0.21 [95% CI, −0.50 to 0.17]).Conclusions and RelevanceIn this cohort study, patients with a higher degree of ITH had more severe EER. A possible association between severe ITH and EER was demonstrated.
Nanowires and Nanotubes
Authors: Wang Zhong Lin , Zou Haiyang , Wang Longfei 
Published: June 2022

AbstractNanowires and nanotubes are at the forefront of materials science and engineering. Owing to the unique structural one‐dimensionality and possible quantum confinement effects in two dimensions, nanowires and nanotubes exhibit many novel properties. They are considered to be critical building blocks for developing nanoscale devices. The synthesis and characterization of nanowires and nanotubes constitute an important part of the development of nanotechnology. Significant progress has been made in investigating their unique properties, especially mechanical, electronic, and optical properties. The general understanding of these materials serves as the foundation for advancing nanomanufacturing and nanodevices. This article introduces various types of nanowires and nanotubes, including their general synthesis, structure, characterization, physical and chemical properties, and their practical and potential applications.
Impacts of Bond Type and Grafting Density on the Thermal, Structural, and Transport Behaviors of Nanoparticle Organic Hybrid Materials‐Based Electrolytes
Authors: Feric Tony G. , Hamilton Sara T. , Haque Md. Ashraful , Jeddi Javad , Sangoro Joshua , Dadmun Mark D. , Park Ah‐Hyung Alissa 
Published: June 2022

AbstractNanoscale Organic Hybrid Materials (NOHMs) consist of polymers tethered to a nanoparticle surface, and NOHMs formed with an ionic bond between the polymer and nanoparticle have been proposed for electrochemical applications. NOHMs exhibit negligible vapor pressure, chemical tunability, oxidative thermal stability, and high ionic conductivity making them attractive in reactive and separation systems. In this study, NOHMs are synthesized by tethering Jeffamine M2070 (HPE) to SiO2 nanocores via ionic (NOHM‐I‐HPE) and covalent (NOHM‐C‐HPE) bonding to investigate the effect of the bond type on the thermal, structural and transport properties of the tethered HPE. In the neat state, NOHM‐C‐HPE displays the highest thermal stability in a nitrogen atmosphere, while NOHM‐I‐HPE is the most stable under oxidative conditions. Small‐angle neutron scattering (SANS) reveals the presence of multiple types of HPE polymers in aqueous solutions of NOHM‐I‐HPE (i.e., tethered, interacting, and free), whereas only tethered HPE is observed in NOHM‐C‐HPE systems. Moreover, the SANS profiles identify clustering of NOHM‐C‐HPE in aqueous solutions, but not in the corresponding NOHM‐I‐HPE solutions, suggesting that the free HPE chains stabilize the dispersion of NOHM‐I‐HPE. The results of this study elucidate how the bond type and grafting density can be used to tune the properties of NOHMs.
Laser Induced Graphene/Silicon Carbide: Core–Shell Structure, Multifield Coupling Effects, and Pressure Sensor Applications
Authors: Lu Longsheng , Zhang Duankang , Xie Yingxi , He Hengfei , Wang Wentao 
Published: June 2022

AbstractLatest advances have witnessed the laser scribing of various active materials from synthetic polymers to natural sources without masks, post‐treatment, or toxic substances. However, laser induced graphene (LIG) on renewable precursors usually requires flame‐retardant pretreatment and multistep pulsed or defocused irradiation. Laser scribing of silicon carbide (SiC) from polydimethylsiloxane (PDMS) is limited by its high transparency over a broad wavelength range. Here, a structural design strategy is adopted to solve these two dilemmas at the same time, that is, laser scribing of carbonized cloth/PDMS to prepare LIG/SiC composites. Natural cotton cloth is precarbonized and inserted in PDMS substrate to facilitate heat absorption for the in situ formation of SiC, while the soft PDMS attached to the carbonized cloth absorbs heat and isolates oxygen, enabling the conversion of amorphous carbon to LIG. Under these multifield coupling effects, a core–shell LIG/SiC electrode is formed on the carbonized cloth with tunable mass ratio, morphology, and graphene defects. Experimentally, the LIG/SiC pressure sensor exhibits a good sensitivity of 1.91 kPa−1 in the super‐wide sensing range of 0–226.7 kPa. By demonstrating different scenarios such as real‐time monitoring of large body movements, tiny pulses and heartbeats, the flexible pressure sensors hold great promise in wearable electronics.
Dynamic Switching and Energy Storage Unified by Electrochemical Ion Intercalation
Authors: Yan Yaping , Tang Hongmei , Qu Zhe , Zhang Wenlan , Schmidt Oliver G. , Zhu Minshen 
Published: June 2022

AbstractIon‐intercalation compounds with transport pathways for guest ions find their prevalent applications in energy storage devices. Along with the ion intercalation, chemical transformations of the host material are involved, resulting in the change of the electronic structure. Electronic conductance, therefore, depends on the number of ions intercalated into the host material, leading to the development of new switching devices that use different electronic conductance states to store and process information. Although energy storage and dynamic switching devices are often regarded as completely different, the unified working mechanism based on ion intercalation opens up the possibility of integrating both devices and using them in a coordinated way. In this perspective, the materials and device designs of dynamic switching devices based on ion intercalation are briefly introduced and an unexplored avenue to project dynamic switching behaviors to the operation status of batteries with synergistic time and length scales is proposed.
Association of computed tomography scores to psychophysical measures of olfaction: A systematic review and meta‐analysis
Authors: Chen Tiffany , Chidarala Shreya , Young Gabrielle , Jeong Seth S. , Nguyen Shaun A. , Edwards Thomas S. , Schlosser Rodney J. 
Published: June 2022

AbstractBackgroundWhile various sinus computed tomography (CT) scoring systems have been proposed and used in the literature, no single system has been identified as superior. The strength of associations between CT scoring systems and measures of olfaction also remains unclear.MethodsA systematic review of PubMed, CINAHL, Scopus, and the Cochrane Library was conducted following the Preferred Reporting Items for Systematic Reviews and Meta‐Analyses guidelines. Studies that reported both CT scores and measures of olfaction in a cross‐sectional manner were included.ResultsA total of 37 studies were eligible for meta‐analysis. Of 8035 patients with chronic rhinosinusitis, 55.6% were male patients and 53.2% had chronic rhinosinusitis with nasal polyps. Analysis by meta‐regression was performed of Lund‐Mackay (LM) versus Smell Identification Test‐40 (SIT‐40; 12 studies), Brief Smell Identification Test (BSIT; 10 studies), Sniffin’ Sticks (SS; 10 studies), and Toyota & Takagi (T&T) olfactometry (four studies). A significant moderate association was found between LM and SIT‐40 (R2 = 0.612, p < 0.001) and LM and SS (R2 = 0.612, p < 0.001). An association between LM and BSIT approached significance (R2 = 0.461, p = 0.054). No significant associations were noted between LM and T&T olfactometry and between LM and SS when stratified by nasal polyp status.ConclusionThere is a significant moderate association of current CT scoring systems to SIT‐40 and SS. Further research should focus on associations of objective measures of olfaction to CT scores of the nasal cavity, sinuses, and olfactory cleft, as well as other disease markers.
The Spanish‐English bilingual experience and cognitive change in Hispanics/Latinos from the Hispanic Community Health Study/Study of Latinos‐Investigation of Neurocognitive Aging
Authors: Lamar Melissa , Tarraf Wassim , Wu Benson , Perreira Krista M. , Lipton Richard B. , Khambaty Tasneem , Cai Jianwen , Llabre Maria M. , Gallo Linda C. , Daviglus Martha L. , González Hector M. 
Published: June 2022

AbstractIntroductionStudies suggest bilingualism may delay behavioral manifestations of adverse cognitive aging including Alzheimer's dementia.MethodsThree thousand nine hundred sixty‐three participants (unweighted mean population age ≈56 years) at Hispanic Community Health Study/Study of Latinos baseline (2008–2011) self‐reported their and their parents’ birth outside the United States, Spanish as their first language, and used Spanish for baseline and comparable cognitive testing 7 years later (2015–2018). Spanish/English language proficiency and patterns of use were self‐rated from 1 = only Spanish to 4 = English > Spanish. Cognitive testing included test‐specific and global composite score(s) of verbal learning, memory, word fluency, and Digit Symbol Substitution (DSS). Survey linear regression models examined associations between baseline bilingualism scores and cognition.ResultsHigher second‐language (English) proficiency and use were associated with higher global cognition, fluency, and DSS at follow‐up and better than predicted change in fluency.DiscussionThe bilingual experience was more consistently related to 7‐year level versus change in cognition for Hispanics/Latinos.
Design, synthesis, spectral characterization, photo‐cleavage, and in vitro evaluation of anticancer activities of new transition metal complexes of piperazine based Schiff base‐oxime ligand
Authors: Ragab Mona S. , Soliman Marwa H. , Shehata Mohamed R. , Shoukry Mohamed M. , Ragheb Mohamed A. 
Published: June 2022

The newly synthesized Schiff base‐oxime ligand, namely, (2Z,3E)‐3‐((3‐(4‐(3‐(((2E,3E)‐3‐(hydroxyimino)butan‐2‐ylidene)amino)propyl)piperazin‐1‐yl)propyl)imino)butan‐2‐one oxime (H2L) and its Co (II), Cu (II), and Zn (II) complexes were reported. The characterization was accomplished with the aid of CHN‐EA, mass, fourier transform infrared spectroscopy (FT‐IR), electronic spectra, magnetic moment, molar conductance and TGA. According to the spectroscopic approaches, the synthesized ligand (H2L) may act as a tetradentate or hexadentate (bis‐tridentate) coordinating ligand through the azomethine nitrogen, piperazinyl nitrogens, and oximato‐nitrogens affording distorted square planar mononuclear Co (II) complex or tetrahedrally distorted square planar binuclear Cu (II) and Zn (II) complexes whereas the coordination mode varies according to the nature of the metal ion. The microbial resistance of all the synthesized compounds was evaluated and reported. Findings showed that the Cu (II) complex has mostly the highest inhibitory effects against all tested microbial strains. Besides, the anticancer nature of the studied compounds was also evaluated against a panel of three different human cancer cells, including (HCT‐116), (MDA‐MB‐231), (HepG2) in addition to the (WI‐38) used as a healthy cells. In general, the Cu (II) complex displayed the best cytotoxic profiles against the tested cells than the Co (II) and Zn (II) complexes with negligible toxicity towards the (WI‐38) normal cells. The DNA cleavage activities of all tested compounds were assayed against pBR322 plasmid DNA. Whereas, the Cu (II) complex showed the highest DNA cleavage propensity, which proceeds predominantly via the oxidative mechanism. Additionally, flow cytometric analysis dictates that the Cu (II) complex induces cell cycle arrest in S‐phase and apoptotic cell death on HCT‐116 cells. The morphological transformations distinguished in HCT‐116 cells treated with Cu (II) complex have been depicted with the aid of scanning electron microscopy (SEM). The docking results indicate that the Cu (II) complex strongly interacts with human colon cancer (6GUE), Escherichia coli (3T88), Klebsiella pneumoniae (4HL2), and Staphylococcus aureus (3WQU) proteins, through different modes of interactions that harmonize successfully with the experimental results.
Enhancing sustainable development: Innovation ecosystem coopetition, environmental resource orchestration, and disruptive green innovation
Authors: Xin Xiaohua , Miao Xiaoming , Cui Rixiao 
Published: June 2022

AbstractDisruptive green innovation stands out in an important way to achieve corporate sustainable development. Although the general importance of innovation ecosystem has recently been emphasized, little research has considered the influence of innovation ecosystem coopetition on disruptive green innovation. Combining resource‐based view and resource orchestration theory, this study sheds light on the relationships among innovation ecosystem cooperation and competition, environmental resource orchestration, and disruptive green innovation under the moderating role of big data analytics capability. Using data collected from 295 manufacturing enterprises in China, the results show that both innovation ecosystem cooperation and competition have positive effects on environmental resource orchestration，and that environmental resource orchestration has a positive effect on disruptive green innovation. Furthermore, environmental resource orchestration is found to partially mediate the relationship between innovation ecosystem cooperation and disruptive green innovation, and to fully mediate the relationship between innovation ecosystem competition and disruptive green innovation. Moreover, we find that big data analytics capability has a moderating effect on the relationship between innovation ecosystem cooperation and environmental resource orchestration, whereas it does not moderate the relationship between innovation ecosystem competition and environmental resource orchestration. This study opens avenues for understanding the relationship between innovation ecosystem coopetition and disruptive green innovation, which enriches literature on both innovation ecosystem and green innovation. Likewise, this study has important implications for practitioners who attempt to promote market disruption and sustainable development with the help of ecosystems.
Relative deprivation, national GDP and right‐wing populism: A multilevel, multinational study
Authors: Cena Lorenzo , Roccato Michele , Russo Silvia 
Published: June 2022

AbstractWe conducted a secondary analysis of the 2018 (ninth round) European Social Survey dataset (N = 19,512, nested in 24 countries) to analyse the association between relative deprivation and right‐wing populist voting, moderated by participants' income and their country's GDP. A multilevel moderated model showed that relative deprivation, income and GDP had no association with right‐wing populist votes by themselves. However, income and GDP moderated the relation between relative deprivation and right‐wing populist votes, that was significant for participants with high incomes and for those living in wealthy countries. The strengths, limitations and future developments of the study are discussed.
Undergraduate research at community colleges: A pathway to achieve student, faculty, and institutional success
Authors: Rosas Alquicira Edgar F. , Guertin Laura , Tvelia Sean , Berquist Peter J. , Cole M.W. 
Published: June 2022

AbstractThis chapter examines undergraduate research (UR) from student, faculty, and institutional perspectives. We explore UR implementation models in community colleges, discuss selected examples of practice, present a summary of lessons learned, and make recommendations to advance UR and its early execution into the college curriculum from a holistic perspective.
Faculty‐led professional development: Designing effective workshops to facilitate change
Authors: Miller Seth H. , DeMolle Diondra , Menge Karen , Voorhees David H. 
Published: June 2022

AbstractDesigning effective faculty‐led professional development (PD) workshops is easier than it sounds and is a highly rewarding way for faculty to become change agents on their own campuses. This chapter presents the authors’ experiences leading PD workshops and provides a roadmap to make the workshop development process straightforward and fun for other faculty members.
Performance enhancement and optimization for rod‐baffle heat exchangers with twisted oval tubes
Authors: Duan Xudong , Xiao Juan , Sun Lijuan , Wang Simin 
Published: June 2022

AbstractTwisted oval tubes were proposed to be installed in rod‐baffle heat exchangers (RBHXs) to enhance heat transfer performance. A comparison between RBHXs with twisted oval tubes and those with circular tubes is performed. The results show that the heat transfer coefficient (h) per unit pressure drop (Δp) of RBHXs with twisted oval tubes is larger than 36.01%~100.24% compared with that of circular tubes when Reynolds numbers are 4577~22 889, and heat transfer enhancement is more obvious under lower inlet velocity. Then the structural parameters of RBHXs with twisted oval tubes are optimized using the response surface model and genetic algorithms. The results show that the h decreases first and then remains constant with the increase of the twisted pitch length, and decreases first and then rises again with the increase of the ratio of long axis to short axis. The Δp almost keeps constant with increasing twisted pitch length and decreases by 36.67% with the increase in the ratio of long axis to short axis. The comprehensive performance index h/Δp of the RBHXs with twisted oval tubes is enhanced by an average of 26.42% compared with that of original structure. The research results have a good guideline for heat transfer enhancement and the structural design of RBHXs.
PROTOCOL: Instruments for the evaluation of emotional intelligence in persons with hearing impairments: A scoping review
Authors: Potmesilova Petra , Potmesil Milon , Mareckova Jana 
Published: June 2022

AbstractObjectiveThis scoping review aims to identify and describe the instruments used to evaluate emotional intelligence in deaf and hard of hearing (D/HH) persons.IntroductionEmotional intelligence is a person's ability to work with emotions in response to a particular situation. Deafness or a hard of hearing has a negative effect on functioning in the field of emotional intelligence and leads to a specific approach to the diagnosis or evaluation of emotional intelligence.Inclusion CriteriaThe scoping review will consider studies focused on persons who are deaf or hard of hearing at any age. The review will consider studies that feature existing instruments and the process of the evaluation of emotional intelligence in people with hearing disabilities. Relevant information will include the type, extent, and form of possible modification of specific instruments and approaches. Criteria for the exclusion of the study will be in terms of the target category being persons with a cochlear implant, psychiatric diagnoses, persons who have become deaf, and persons with multiple disabilities.MethodsThe review will be conducted following the JBI methodology for scoping reviews. The databases to be searched include MEDLINE, Embase, CINAHL Plus, ProQuest Central, PsycINFO, Scopus, Web of Science, Clinical Trials, and the Cochrane Central Register of Controlled Trials (CENTRAL), and Google Scholar. The search for unpublished studies will include ProQuest Dissertations and Theses (ProQuest). Eligible studies will undergo data extraction by two independent reviewers using a tool created by the authors. Along with a narrative summary, the results will be presented in diagrammatic or tabular form.