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  1. Article ; Online: Pathological crystal structures.

    Raymond, Kenneth N / Girolami, Gregory S

    Acta crystallographica. Section C, Structural chemistry

    2023  Volume 79, Issue Pt 11, Page(s) 445–455

    Abstract: Recent decades have seen enormous changes in the technology of crystal structure analysis, but the interpretation of these data still depends on human judgment, and errors are far from uncommon. Although analysing the crystallographic results with ... ...

    Abstract Recent decades have seen enormous changes in the technology of crystal structure analysis, but the interpretation of these data still depends on human judgment, and errors are far from uncommon. Although analysing the crystallographic results with available software tools can catch many types of errors, others can be detected only by combining knowledge of both crystallography and chemistry. We discuss several such examples from the published literature, and for each of them we identify what lessons they teach us. The examples are categorized by the type of error: correct crystallography but incorrect chemistry, mis-assignment of atoms, high-symmetry superstructures with included guest molecules, incorrect choice of space group, incorrect choice of unit-cell size, and unresolved problems. These examples are intended to counteract the aura of infallibility that crystal structures sometimes assume and to alert the reader to features to look for in detecting pathological structures.
    Language English
    Publishing date 2023-10-24
    Publishing country England
    Document type Journal Article
    ZDB-ID 2025703-X
    ISSN 2053-2296 ; 1600-5759 ; 0108-2701
    ISSN (online) 2053-2296 ; 1600-5759
    ISSN 0108-2701
    DOI 10.1107/S2053229623007088
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  2. Article ; Online: Tunable Electrochemical Entropy through Solvent Ordering by a Supramolecular Host.

    Xia, Kay T / Rajan, Aravindh / Surendranath, Yogesh / Bergman, Robert G / Raymond, Kenneth N / Toste, F Dean

    Journal of the American Chemical Society

    2023  Volume 145, Issue 46, Page(s) 25463–25470

    Abstract: An aqueous electrochemically controlled host-guest encapsulation system demonstrates a large and synthetically tunable redox entropy change. Electrochemical entropy is the basis for thermally regenerative electrochemical cycles (TRECs), which utilize ... ...

    Abstract An aqueous electrochemically controlled host-guest encapsulation system demonstrates a large and synthetically tunable redox entropy change. Electrochemical entropy is the basis for thermally regenerative electrochemical cycles (TRECs), which utilize reversible electrochemical processes with large molar entropy changes for thermogalvanic waste-heat harvesting and electrochemical cooling, among other potential applications. A supramolecular host-guest system demonstrates a molar entropy change of 4 times that of the state-of-the-art aqueous TREC electrolyte potassium ferricyanide. Upon encapsulation of a guest, water molecules that structurally resemble amorphous ice are displaced from the host cavity, leveraging a change in the degrees of freedom and ordering of the solvent rather than the solvation of the redox-active species to increase entropy. The synthetic tunability of the host allows rational optimization of the system's Δ
    Language English
    Publishing date 2023-11-13
    Publishing country United States
    Document type Journal Article
    ZDB-ID 3155-0
    ISSN 1520-5126 ; 0002-7863
    ISSN (online) 1520-5126
    ISSN 0002-7863
    DOI 10.1021/jacs.3c10145
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  3. Article: Factors associated with fall risk of community-dwelling older people: A decision tree analysis.

    Fong, Kenneth N K / Chung, Raymond C K / Sze, Patrick P C / Ng, Carmen K M

    Digital health

    2023  Volume 9, Page(s) 20552076231181202

    Abstract: Objective: To examine the predictive attributes for accidental falls in community-dwelling older people in Hong Kong using decision tree analysis.: Methods: We recruited 1151 participants with an average age of 74.8 years by convenience sampling from ...

    Abstract Objective: To examine the predictive attributes for accidental falls in community-dwelling older people in Hong Kong using decision tree analysis.
    Methods: We recruited 1151 participants with an average age of 74.8 years by convenience sampling from a primary healthcare setting to carry out the cross-sectional study over 6 months. The whole dataset was divided into two sets, namely training set and test set, which respectively occupied 70% and 30% of the whole dataset. The training dataset was used first; decision tree analysis was used to identify possible stratifying variables that could help to generate separate decision models.
    Results: The number of fallers was 230 with 20% 1-year prevalence. There were significant differences in gender, use of walking aids, presence of chronic diseases, and co-morbidities including osteoporosis, depression, and previous upper limb fractures, and performance in the Timed Up and Go test and the Functional Reach test among the baselines between the faller and non-faller groups. Three decision tree models for the dependent dichotomous variables (fallers, indoor fallers, and outdoor fallers) were generated, with overall accuracy rates of the models of 77.40%, 89.44% and 85.76%, respectively. Timed Up and Go, Functional Reach, body mass index, high blood pressure, osteoporosis, and number of drugs taken were identified as stratifying variables in the decision tree models for fall screening.
    Conclusion: The use of decision tree analysis for clinical algorithms for accidental falls in community-dwelling older people creates patterns for decision-making in fall screening, which also paves the way for utility-based decision-making using supervised machine learning in fall risk detection.
    Language English
    Publishing date 2023-06-07
    Publishing country United States
    Document type Journal Article
    ZDB-ID 2819396-9
    ISSN 2055-2076
    ISSN 2055-2076
    DOI 10.1177/20552076231181202
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  4. Article ; Online: Heterogeneous Supramolecular Catalysis through Immobilization of Anionic M

    Miyamura, Hiroyuki / Bergman, Robert G / Raymond, Kenneth N / Toste, F Dean

    Journal of the American Chemical Society

    2020  Volume 142, Issue 45, Page(s) 19327–19338

    Abstract: Although most of the currently developed supramolecular catalysts that emulate enzymatic reactivity with unique selectivity and activity through specific host-guest interactions work under homogeneous conditions, enzymes in nature can operate under ... ...

    Abstract Although most of the currently developed supramolecular catalysts that emulate enzymatic reactivity with unique selectivity and activity through specific host-guest interactions work under homogeneous conditions, enzymes in nature can operate under heterogeneous conditions as membrane-bound enzymes. In order to develop such a heterogeneous system, an immobilized chiral supramolecular cluster Ga
    Language English
    Publishing date 2020-11-02
    Publishing country United States
    Document type Journal Article ; Research Support, Non-U.S. Gov't ; Research Support, U.S. Gov't, Non-P.H.S.
    ZDB-ID 3155-0
    ISSN 1520-5126 ; 0002-7863
    ISSN (online) 1520-5126
    ISSN 0002-7863
    DOI 10.1021/jacs.0c09556
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  5. Article ; Online: Atypical atrial flutter catheter ablation in the era of high-density mapping.

    Raymond-Paquin, Alexandre / Pillai, Ajay / Myadam, Rahul / Mankad, Pranav / Lovejoy, Scott / Koneru, Jayanthi N / Ellenbogen, Kenneth A

    Journal of interventional cardiac electrophysiology : an international journal of arrhythmias and pacing

    2023  Volume 66, Issue 8, Page(s) 1807–1815

    Abstract: Background: Mapping and ablating atypical atrial flutters (AAFLs) have evolved greatly with advances in high-density 3D mapping systems over the last years.: Methods: The objectives are to evaluate the feasibility of AAFL catheter ablation based on ... ...

    Abstract Background: Mapping and ablating atypical atrial flutters (AAFLs) have evolved greatly with advances in high-density 3D mapping systems over the last years.
    Methods: The objectives are to evaluate the feasibility of AAFL catheter ablation based on high-density mapping and minimizing entrainment and to better characterize AAFL circuits. Consecutive patients who underwent AAFL ablation using the EnSite Precision™ system and HD Grid™ mapping catheter (Abbott, Chicago, IL) between 06/2018 and 1/2022 were included. Mitral isthmus-dependent and roof-dependent AAFLs were classified as conventional circuits. All other AAFL circuits were classified as non-conventional circuits and were defined based on the location of the critical isthmus.
    Results: Sixty-two patients underwent AAFL ablation (mean age 68±11 years). A total of 95 AAFLs were mapped and 92 (97%) were successfully ablated. Fifty-three (85%) patients had a previous AF/AFL ablation. Forty-four (46%) AAFL circuits were classified as conventional and 51 (54%) as non-conventional. Conventional AAFL circuits had longer critical isthmuses (19.0±9.0 vs 10.8±6.3mm, p<0.001), a lower prevalence of slow conduction at the critical isthmus (59% vs 86%, p=0.005), and a longer radiofrequency time to AAFL termination (117±119 vs 51±66 s, p=0.002). Entrainment was attempted in 19 (20%) flutters and its use declined significantly over the study period. Procedural success rates remained high whether entrainment was used or not. Freedom of any atrial tachycardia was 65% over a follow-up of 13.8±9.0 months.
    Conclusions: AAFL catheter ablation can be achieved with high procedural success rate using a contemporary strategy based on high-density mapping alone. Non-conventional circuits are frequent and present unique electrophysiological characteristics.
    Language English
    Publishing date 2023-01-16
    Publishing country Netherlands
    Document type Journal Article
    ZDB-ID 1329179-8
    ISSN 1572-8595 ; 1383-875X
    ISSN (online) 1572-8595
    ISSN 1383-875X
    DOI 10.1007/s10840-023-01475-2
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  6. Article ; Online: A Nanovessel-Catalyzed Three-Component Aza-Darzens Reaction.

    Bierschenk, Stephen M / Bergman, Robert G / Raymond, Kenneth N / Toste, F Dean

    Journal of the American Chemical Society

    2020  Volume 142, Issue 2, Page(s) 733–737

    Abstract: It has been previously demonstrated that nanovessels can be highly competent catalysts providing high rate accelerations and unique selectivity to the organic transformations which they mediate. However, for supramolecular assemblies to be considered a ... ...

    Abstract It has been previously demonstrated that nanovessels can be highly competent catalysts providing high rate accelerations and unique selectivity to the organic transformations which they mediate. However, for supramolecular assemblies to be considered a standard reagent in organic synthesis they must first demonstrate the ability to catalyze increasingly complex transformations. Herein, we report a three-component Aza-Darzens reaction that generates
    MeSH term(s) Aza Compounds/chemistry ; Catalysis ; Molecular Structure ; Stereoisomerism
    Chemical Substances Aza Compounds
    Language English
    Publishing date 2020-01-07
    Publishing country United States
    Document type Journal Article ; Research Support, N.I.H., Extramural ; Research Support, U.S. Gov't, Non-P.H.S.
    ZDB-ID 3155-0
    ISSN 1520-5126 ; 0002-7863
    ISSN (online) 1520-5126
    ISSN 0002-7863
    DOI 10.1021/jacs.9b13177
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  7. Article ; Online: Factors associated with fall risk of community-dwelling older people

    Kenneth N K Fong / Raymond C K Chung / Patrick P C Sze / Carmen K M NG

    Digital Health, Vol

    A decision tree analysis

    2023  Volume 9

    Abstract: Objective To examine the predictive attributes for accidental falls in community-dwelling older people in Hong Kong using decision tree analysis. Methods We recruited 1151 participants with an average age of 74.8 years by convenience sampling from a ... ...

    Abstract Objective To examine the predictive attributes for accidental falls in community-dwelling older people in Hong Kong using decision tree analysis. Methods We recruited 1151 participants with an average age of 74.8 years by convenience sampling from a primary healthcare setting to carry out the cross-sectional study over 6 months. The whole dataset was divided into two sets, namely training set and test set, which respectively occupied 70% and 30% of the whole dataset. The training dataset was used first; decision tree analysis was used to identify possible stratifying variables that could help to generate separate decision models. Results The number of fallers was 230 with 20% 1-year prevalence. There were significant differences in gender, use of walking aids, presence of chronic diseases, and co-morbidities including osteoporosis, depression, and previous upper limb fractures, and performance in the Timed Up and Go test and the Functional Reach test among the baselines between the faller and non-faller groups. Three decision tree models for the dependent dichotomous variables (fallers, indoor fallers, and outdoor fallers) were generated, with overall accuracy rates of the models of 77.40%, 89.44% and 85.76%, respectively. Timed Up and Go, Functional Reach, body mass index, high blood pressure, osteoporosis, and number of drugs taken were identified as stratifying variables in the decision tree models for fall screening. Conclusion The use of decision tree analysis for clinical algorithms for accidental falls in community-dwelling older people creates patterns for decision-making in fall screening, which also paves the way for utility-based decision-making using supervised machine learning in fall risk detection.
    Keywords Computer applications to medicine. Medical informatics ; R858-859.7
    Subject code 006
    Language English
    Publishing date 2023-06-01T00:00:00Z
    Publisher SAGE Publishing
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  8. Article: Limited Genomics Training Among Physicians Remains a Barrier to Genomics-Based Implementation of Precision Medicine.

    Schaibley, Valerie M / Ramos, Irma N / Woosley, Raymond L / Curry, Steven / Hays, Sean / Ramos, Kenneth S

    Frontiers in medicine

    2022  Volume 9, Page(s) 757212

    Abstract: The field of precision medicine has undergone significant growth over the past 10 years. Despite increasing applications of clinical genetic and genomic testing, studies consistently report limited knowledge of genetics and genomics among healthcare ... ...

    Abstract The field of precision medicine has undergone significant growth over the past 10 years. Despite increasing applications of clinical genetic and genomic testing, studies consistently report limited knowledge of genetics and genomics among healthcare providers. This study explored barriers to the implementation of precision medicine by surveying physicians working in a large academic medical center. We assessed prior training in genetics, use of genetic testing in the clinic, desire for additional resources in genetics and genomic medicine and perceived barriers to successful integration of precision medicine. Only 20% of respondents reported moderate or extensive training in genetics. Physicians with limited or no training in genetics were less likely to have ordered a genetic test for any purpose. Furthermore, 41% of physicians responded that their lack of training identifying appropriate genetic tests and how to interpret genetic testing results was the most significant barrier to ordering genetic testing for their patients. These findings suggest that future efforts to realize the promise of precision medicine should focus on the integration of training programs for non-genetics trained healthcare providers.
    Language English
    Publishing date 2022-03-18
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2775999-4
    ISSN 2296-858X
    ISSN 2296-858X
    DOI 10.3389/fmed.2022.757212
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  9. Article ; Online: The Effects of Storytelling With or Without Social Contextual Information Regarding Eye Gaze and Visual Attention in Children with Autistic Spectrum Disorder and Typical Development: A Randomized, Controlled Eye-Tracking Study.

    Tang, Wilson Y F / Fong, Kenneth N K / Chung, Raymond C K

    Journal of autism and developmental disorders

    2021  Volume 52, Issue 3, Page(s) 1257–1267

    Abstract: This study examined the effects of storytelling with or without contextual information on children with autism spectrum disorder (ASD) and typical development (TD) using eye-tracker. They were randomized into two groups-the stories included and did not ... ...

    Abstract This study examined the effects of storytelling with or without contextual information on children with autism spectrum disorder (ASD) and typical development (TD) using eye-tracker. They were randomized into two groups-the stories included and did not include social contextual information respectively. Training was delivered in groups, with eight sessions across four weeks, 30 min/session. Participants' fixation duration, visit duration, and fixation count on human faces from 20 photos and a video were recorded. Our findings revealed that storytelling with social contextual information enhanced participants' eye gazes on eyes/ faces in static information (photos) for both children with ASD and TD, but the same advantage could not be seen for children with ASD in regard to dynamic information (videos).Clinical Trial Registration Number (URL: http://www.clinicaltrials.gov ): NCT04587557.
    MeSH term(s) Autism Spectrum Disorder ; Child ; Communication ; Eye-Tracking Technology ; Fixation, Ocular ; Humans ; Research Design
    Language English
    Publishing date 2021-04-28
    Publishing country United States
    Document type Journal Article ; Randomized Controlled Trial
    ZDB-ID 391999-7
    ISSN 1573-3432 ; 0162-3257
    ISSN (online) 1573-3432
    ISSN 0162-3257
    DOI 10.1007/s10803-021-05012-w
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    In stock of ZB MED Cologne/Königswinter

    Zs.A 765: Show issues Location:
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  10. Article ; Online: Predictors of long-term return-to-work at five-year follow-up for mild-to-moderate subacute stroke patients enrolled in an early supported discharge program.

    Teo, Sock Hong / Fong, Kenneth N K / Chen, Zhenzhen / Chung, Raymond C K

    Work (Reading, Mass.)

    2022  Volume 73, Issue 3, Page(s) 1001–1010

    Abstract: ... of the participants (n = 49) were selected for Cox and logistic regression analyses of RTW at five-year follow-up ...

    Abstract Background: Facilitating return-to-work (RTW) for working-age stroke survivors is a key component of stroke rehabilitation, however, research investigating the long-term outcomes of working-age stroke survivors is lacking.
    Objective: To investigate the factors that influence long-term RTW for patients enrolled on a community-based early supported discharge (ESD) rehabilitation program in Singapore about five years post stroke.
    Methods: Sixty-nine patients, aged between 18 and 60 years and were employed at the time of their hospitalization, were enrolled into the ESD program between 2012 and 2014. A prospective cohort design was adopted to examine the relationships between the factors- demographic, functional, personal, psychosocial factors and work related- and RTW at five-year follow-up. Details of RTW were collected through questionnaires via telephone follow-up.
    Results: Sixty percent of the participants (n = 49) were selected for Cox and logistic regression analyses of RTW at five-year follow-up. The results indicated that having social problems is a negative predictor of RTW (OR 0.02; 95% CI 0.00-0.22) while being the breadwinner is a positive predictor of RTW (OR 13.79; 95% CI 2.46-77.52). The same factors were also significant in the time to RTW event at five-year follow-up, with a hazard ratio of 0.09 and 4.07, respectively.
    Conclusions: Early identification of the characteristics of stroke patients enrolled into an ESD program who have the potential to RTW would make interventions more targeted, increasing the likelihood of RTW.
    MeSH term(s) Humans ; Adolescent ; Young Adult ; Adult ; Middle Aged ; Return to Work ; Follow-Up Studies ; Prospective Studies ; Patient Discharge ; Stroke Rehabilitation ; Stroke/complications
    Language English
    Publishing date 2022-07-31
    Publishing country Netherlands
    Document type Journal Article
    ZDB-ID 1394194-x
    ISSN 1875-9270 ; 1051-9815
    ISSN (online) 1875-9270
    ISSN 1051-9815
    DOI 10.3233/WOR-210914
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