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Article ; Online: Effects of sulfoxide and sulfone sidechain-backbone hydrogen bonding on local conformations in peptide models.

Liu, Dayi / Robin, Sylvie / Gloaguen, Eric / Brenner, Valérie / Mons, Michel / Aitken, David J

Chemical communications (Cambridge, England)

2024 Volume 60, Issue 15, Page(s) 2074–2077

Abstract: We examine peptide model systems designed to probe short-range N-H⋯OS sidechain-backbone hydrogen bonding involving amino acid residues with sidechain sulfoxide or sulfone functional groups and its effects on local conformations. A strong 7-membered ... ...

Abstract	We examine peptide model systems designed to probe short-range N-H⋯OS sidechain-backbone hydrogen bonding involving amino acid residues with sidechain sulfoxide or sulfone functional groups and its effects on local conformations. A strong 7-membered ring hydrogen bond of this type accompanies an intra-residue N-H⋯OC interaction and stabilizes an extended backbone conformation in preference to classical folded structures.
MeSH term(s)	Hydrogen Bonding ; Peptides/chemistry ; Molecular Conformation ; Amino Acids ; Sulfoxides
Chemical Substances	Peptides ; Amino Acids ; Sulfoxides
Language	English
Publishing date	2024-02-15
Publishing country	England
Document type	Journal Article
ZDB-ID	1472881-3
ISSN	1364-548X ; 1359-7345 ; 0009-241X
ISSN (online)	1364-548X
ISSN	1359-7345 ; 0009-241X
DOI	10.1039/d3cc05933b
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Article ; Online: Influence of TMX2-CTNND1 polymorphism on cortical thickness in schizophrenia and their unaffected sibling: an exploratory study based on target region sequencing.

Tan, Wenjian / Cheng, Yixin / Huang, Danqing / Liu, Dayi / Zhang, Jiamei / Li, Jinyue / Liu, Zhening / Pan, Yunzhi

Revista brasileira de psiquiatria (Sao Paulo, Brazil : 1999)

2024

Abstract: Objectives: The advancement of neuroimaging and genetic research has revealed the presence of morphological abnormalities and numerous risk genes, along with their associations.: Methods: The cortical thickness of 129 schizophrenia patients, 42 ... ...

Abstract	Objectives: The advancement of neuroimaging and genetic research has revealed the presence of morphological abnormalities and numerous risk genes, along with their associations. Methods: The cortical thickness of 129 schizophrenia patients, 42 unaffected siblings of patients and 112 healthy controls was measured, and the candidate genes were sequenced. Comparisons of cortical thickness (including 68 regions of Desikan-Kiliany atlas) and genetic variants (within 108 risk genes for schizophrenia) among the three groups were made, and correlation analyses were performed between cortical thickness, clinical symptoms, cognitive tests like N-back and logical memory test and genetic variants. Results: The study revealed that schizophrenia patients had significantly thinner bilateral frontal, temporal, and parietal gyrus compared to healthy controls and unaffected siblings. Furthermore, association analyses in target genes found 4 SNVs were significantly associated with schizophrenia diagnosis, including TMX2-CTNND1 (SNV20673) (PFDR = 0.008) and CENPM (rs35542507, rs41277477, rs73165153) (PFDR = 0.030). Additionally, cortical thickness in right pars triangularis was observed to be thinner in carriers of the SNV20673 variant compared to non-carriers (PFDR = 0.048). Lastly, a positive correlation was found between right pars triangularis cortical thickness and logical memory in schizophrenia patients (r = 0.199, p = 0.032). Conclusions: This study identified regional morphological abnormalities in schizophrenia, including the right homologue of Broca's area, which was associated with a risk variant affecting delta-1 catenin and affected logical memory. These findings suggest a potential association between candidate gene loci, cortical thickness, and schizophrenia.
Language	English
Publishing date	2024-01-12
Publishing country	Brazil
Document type	Journal Article
ZDB-ID	2024119-7
ISSN	1809-452X ; 1809-452X
ISSN (online)	1809-452X
ISSN	1809-452X
DOI	10.47626/1516-4446-2023-3322
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Article: Temporal Stability of Dynamic Default Mode Network Connectivity Negatively Correlates with Suicidality in Major Depressive Disorder.

Ouyang, Xuan / Long, Yicheng / Wu, Zhipeng / Liu, Dayi / Liu, Zhening / Huang, Xiaojun

Brain sciences

2022 Volume 12, Issue 9

Abstract: Previous studies have demonstrated that the suicidality in patients with major depressive disorder (MDD) is related to abnormal brain functional connectivity (FC) patterns. However, little is known about its relationship with dynamic functional ... ...

Abstract	Previous studies have demonstrated that the suicidality in patients with major depressive disorder (MDD) is related to abnormal brain functional connectivity (FC) patterns. However, little is known about its relationship with dynamic functional connectivity (dFC) based on the assumption that brain FCs fluctuate over time. Temporal stabilities of dFCs within the whole brain and nine key networks were compared between 52 MDD patients and 21 age, sex-matched healthy controls (HCs) using resting-state functional magnetic resonance imaging and temporal correlation coefficients. The alterations in MDD were further correlated with the scores of suicidality item in the Hamilton Rating Scale for Depression (HAMD). Compared with HCs, the MDD patients showed a decreased temporal stability of dFC as indicated by a significantly decreased temporal correlation coefficient at the global level, as well as within the default mode network (DMN) and subcortical network. In addition, temporal correlation coefficients of the DMN were found to be significantly negatively correlated with the HAMD suicidality item scores in MDD patients. These results suggest that MDD may be characterized by excessive temporal fluctuations of dFCs within the DMN and subcortical network, and that decreased stability of DMN connectivity may be particularly associated with the suicidality in MDD.
Language	English
Publishing date	2022-09-17
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2651993-8
ISSN	2076-3425
ISSN	2076-3425
DOI	10.3390/brainsci12091263
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Article ; Online: Length-Dependent Transition from Extended to Folded Shapes in Short Oligomers of an Azetidine-Based α-Amino Acid: The Critical Role of NH···N H-Bonds.

Liu, Dayi / Bardaud, Jean-Xavier / Imani, Zeynab / Robin, Sylvie / Gloaguen, Eric / Brenner, Valérie / Aitken, David J / Mons, Michel

Molecules (Basel, Switzerland)

2023 Volume 28, Issue 13

Abstract: Hydrogen bonds (H-bonds) are ubiquitous in peptides and proteins and are central to the stabilization of their structures. Inter-residue H-bonds between non-adjacent backbone amide NH and C=O motifs lead to the well-known secondary structures of helices, ...

Abstract	Hydrogen bonds (H-bonds) are ubiquitous in peptides and proteins and are central to the stabilization of their structures. Inter-residue H-bonds between non-adjacent backbone amide NH and C=O motifs lead to the well-known secondary structures of helices, turns and sheets, but it is recognized that other H-bonding modes may be significant, including the weak intra-residue H-bond (called a C5 H-bond) that implicates the NH and C=O motifs of the same amino acid residue. Peptide model compounds that adopt stable C5 H-bonds are not readily available and the so-called 2.0
MeSH term(s)	Amino Acids/chemistry ; Proteins/chemistry ; Peptides/chemistry ; Protein Structure, Secondary ; Azetidines ; Hydrogen Bonding
Chemical Substances	Amino Acids ; Proteins ; Peptides ; Azetidines
Language	English
Publishing date	2023-06-28
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	1413402-0
ISSN	1420-3049 ; 1431-5165 ; 1420-3049
ISSN (online)	1420-3049
ISSN	1431-5165 ; 1420-3049
DOI	10.3390/molecules28135048
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Article ; Online: Polygenic risk for schizophrenia and the language network: Putative compensatory reorganization in unaffected siblings.

Chen, Xudong / Tan, Wenjian / Cheng, Yixin / Huang, Danqing / Liu, Dayi / Zhang, Jiamei / Li, Jinyue / Liu, Zhening / Pan, Yunzhi / Palaniyappan, Lena

Psychiatry research

2023 Volume 326, Page(s) 115319

Abstract: Language-related symptoms, such as disorganized, impoverished speech and communicative behaviors, are one of the core features of schizophrenia. These features most strongly correlate with cognitive deficits and polygenic risk among various symptom ... ...

Abstract	Language-related symptoms, such as disorganized, impoverished speech and communicative behaviors, are one of the core features of schizophrenia. These features most strongly correlate with cognitive deficits and polygenic risk among various symptom dimensions of schizophrenia. Nevertheless, unaffected siblings with genetic high-risk fail to show consistent deficits in language network (LN), indicating that either (1) polygenic risk has no notable effect on LN and/or (2) siblings show compensatory changes in opposing direction to patients. To answer this question, we related polygenic risk scores (PRS) to the region-level, tract-level, and systems-level structure (cortical thickness and fiber connectivity) of LN in 182 patients, 48 unaffected siblings and 135 healthy controls. We also studied the relationships between symptoms, language-related cognition, social functioning and LN structure. We observed a significantly lower thickness in LN (especially the Broca's, Wernicke's area and their right homologues) in patients. Siblings had a distinctly higher thickness in parts of the LN and a more pronounced small-world-like structural integration within the LN. Patients with reduced LN thickness had higher PRS, more disorganization and impoverished speech with lower language-related cognition and social functioning. We conclude that the genetic susceptibility and putative compensatory changes for schizophrenia operate, in part, via key regions in the Language Network.
MeSH term(s)	Humans ; Schizophrenia/genetics ; Siblings ; Brain Mapping/methods ; Language ; Cognition ; Magnetic Resonance Imaging/methods
Language	English
Publishing date	2023-06-18
Publishing country	Ireland
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	445361-x
ISSN	1872-7123 ; 1872-7506 ; 0925-4927 ; 0165-1781
ISSN (online)	1872-7123 ; 1872-7506
ISSN	0925-4927 ; 0165-1781
DOI	10.1016/j.psychres.2023.115319
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Article: Heterogeneous gold-catalyzed oxidative cross-coupling of propargylic acetates with arylboronic acids leading to (E)-α-arylenones

Liu, Dayi / Quan Nie / Rongli Zhang / Mingzhong Cai

Tetrahedron letters. 2019 Jan. 03, v. 60, no. 1

2019

Abstract: An efficient heterogeneous gold-catalyzed oxidative cross-coupling of propargylic acetates with arylboronic acids has been developed that proceeds smoothly in the presence of Selectfluor and provides a general and powerful tool for the preparation of ... ...

Abstract	An efficient heterogeneous gold-catalyzed oxidative cross-coupling of propargylic acetates with arylboronic acids has been developed that proceeds smoothly in the presence of Selectfluor and provides a general and powerful tool for the preparation of various valuable α-arylenones with moderate to good yields, excellent E-selectivity, and recyclability of the gold catalyst. The reaction is the first example of heterogeneous gold-catalyzed arylative rearrangement of propargylic acetates for construction of complex enones.
Keywords	acetates ; catalysts ; chemical structure ; cross-coupling reactions ; gold
Language	English
Dates of publication	2019-0103
Size	p. 29-34.
Publishing place	Elsevier Ltd
Document type	Article
ZDB-ID	204287-3
ISSN	1873-3581 ; 0040-4039
ISSN (online)	1873-3581
ISSN	0040-4039
DOI	10.1016/j.tetlet.2018.11.053
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Article: A Post-Synthetic Modification Strategy for the Preparation of Homooligomers of 3-Amino-1-methylazetidine-3-carboxylic Acid

Liu, Dayi / Imani, Zeynab / Gourson, Catherine / Guillot, Régis / Robin, Sylvie / Aitken, David J.

Synlett

2023 Volume 34, Issue 15, Page(s) 1787–1790

Abstract: Post-synthetic modification is a powerful technique allowing access to noncanonical peptide derivatives in a selective manner, but it has not so far been applied for the installation of multiple arrays of modified side chains. Here, we use this approach ... ...

Abstract	Post-synthetic modification is a powerful technique allowing access to noncanonical peptide derivatives in a selective manner, but it has not so far been applied for the installation of multiple arrays of modified side chains. Here, we use this approach in solution phase to prepare short N- and C-capped homooligomers of 3-amino-1-methylazetidine-3-carboxylic acid with all the azetidine side chain functions in free amine form. The key step is the multiple reductive amination reaction of the corresponding post-synthetically deprotected secondary amines.
Keywords	azetidines ; late-stage modification ; peptides ; reductive amination ; protected amino acid ; oligomers
Language	English
Publishing date	2023-04-11
Publisher	Georg Thieme Verlag KG
Publishing place	Stuttgart ; New York
Document type	Article
ZDB-ID	2042012-2
ISSN	1437-2096 ; 0936-5214
ISSN (online)	1437-2096
ISSN	0936-5214
DOI	10.1055/a-2071-4122
Database	Thieme publisher's database

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Article: Acute Effect of Betel Quid Chewing on Brain Network Dynamics: A Resting-State Functional Magnetic Resonance Imaging Study.

Huang, Xiaojun / Wu, Zhipeng / Liu, Zhening / Liu, Dayi / Huang, Danqing / Long, Yicheng

Frontiers in psychiatry

2021 Volume 12, Page(s) 701420

Abstract: Betel quid (BQ) is one of the most popular addictive substances in the world. However, the neurophysiological mechanism underlying BQ addiction remains unclear. This study aimed to investigate whether and how BQ chewing would affect brain function in the ...

Abstract	Betel quid (BQ) is one of the most popular addictive substances in the world. However, the neurophysiological mechanism underlying BQ addiction remains unclear. This study aimed to investigate whether and how BQ chewing would affect brain function in the framework of a dynamic brain network model. Resting-state functional magnetic resonance imaging scans were collected from 24 male BQ-dependent individuals and 26 male non-addictive healthy individuals before and promptly after chewing BQ. Switching rate, a measure of temporal stability of functional brain networks, was calculated at both global and local levels for each scan. The results showed that BQ-dependent and healthy groups did not significantly differ on switching rate before BQ chewing (
Language	English
Publishing date	2021-08-24
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2564218-2
ISSN	1664-0640
ISSN	1664-0640
DOI	10.3389/fpsyt.2021.701420
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Article ; Online: Changes in brain network properties in major depressive disorder following electroconvulsive therapy: a combined static and dynamic functional magnetic resonance imaging study.

Liu, Dayi / Tang, Shixiong / Wu, Zhipeng / Yang, Jie / Liu, Zhening / Wu, Guowei / Sariah, Adellah / Ouyang, Xuan / Long, Yicheng

Annals of palliative medicine

2022 Volume 11, Issue 6, Page(s) 1969–1980

Abstract: Background: Major depressive disorder (MDD) is a common and intractable mood disorder. Electroconvulsive therapy (ECT) is a common means of brain electrical stimulation for the treatment of MDD, but the neurobiological mechanism of its clinical symptom ... ...

Abstract	Background: Major depressive disorder (MDD) is a common and intractable mood disorder. Electroconvulsive therapy (ECT) is a common means of brain electrical stimulation for the treatment of MDD, but the neurobiological mechanism of its clinical symptom relief effect is still to be explored. This study aims to explore how ECT plays a role in depression remissions by investigating the changes of static and dynamic brain network characteristics in MDD patients before and after ECT. Methods: Resting-state functional magnetic resonance imaging (fMRI) scans were obtained from nine MDD patients twice before and after a full course of ECT, all of whom responded to ECT as defined by at least a 50% reduction from baseline Hamilton Depression Scale (HAMD) scores. Both static and dynamic characteristics of the functional brain network were compared between the pre- and post-ECT scans for all participants, and the correlations between changes in clinical symptoms and altered network metrics were also investigated. Results: The clustering coefficient and local efficiency in static brain networks were increased significantly, while the global flexibility of dynamic brain networks was decreased significantly after ECT. Several regions of interest (ROIs) that changed significantly at the local level were also identified, which involved regions of the cerebellum, hippocampus as well as frontal and temporal cortices. Although not significant, the decrease of HAMD scores were associated with trends of changed network metrics after ECT. Conclusions: Our results suggest that ECT may alleviate the depressive symptoms of MDD by decreasing the randomness of the brain network as reflected by changes in both static and dynamic network properties and that the temporal gyrus, frontal gyrus, hippocampus, and cerebellar regions may play key roles in such mechanisms. These findings have important implications for our understandings of ECT and depression. However, this study is limited by a relatively small sample size and the results should be confirmed in larger samples.
MeSH term(s)	Brain/diagnostic imaging ; Depressive Disorder, Major/diagnostic imaging ; Depressive Disorder, Major/pathology ; Depressive Disorder, Major/therapy ; Electroconvulsive Therapy/methods ; Humans ; Magnetic Resonance Imaging/methods
Language	English
Publishing date	2022-01-14
Publishing country	China
Document type	Journal Article
ZDB-ID	2828544-X
ISSN	2224-5839 ; 2224-5839
ISSN (online)	2224-5839
ISSN	2224-5839
DOI	10.21037/apm-21-2723
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Article: Problematic smartphone use is associated with differences in static and dynamic brain functional connectivity in young adults.

Liu, Dayi / Liu, Xiaoxuan / Long, Yicheng / Xiang, Zhibiao / Wu, Zhipeng / Liu, Zhening / Bian, Dujun / Tang, Shixiong

Frontiers in neuroscience

2022 Volume 16, Page(s) 1010488

Abstract: Introduction: This study aimed to investigate the possible associations between problematic smartphone use and brain functions in terms of both static and dynamic functional connectivity patterns.: Materials and methods: Resting-state functional ... ...

Abstract	Introduction: This study aimed to investigate the possible associations between problematic smartphone use and brain functions in terms of both static and dynamic functional connectivity patterns. Materials and methods: Resting-state functional magnetic resonance imaging data were scanned from 53 young healthy adults, all of whom completed the Short Version of the Smartphone Addiction Scale (SAS-SV) to assess their problematic smartphone use severity. Both static and dynamic functional brain network measures were evaluated for each participant. The brain network measures were correlated the SAS-SV scores, and compared between participants with and without a problematic smartphone use after adjusting for sex, age, education, and head motion. Results: Two participants were excluded because of excessive head motion, and 56.9% (29/51) of the final analyzed participants were found to have a problematic smartphone use (SAS-SV scores ≥ 31 for males and ≥ 33 for females, as proposed in prior research). At the global network level, the SAS-SV score was found to be significantly positively correlated with the global efficiency and local efficiency of static brain networks, and negatively correlated with the temporal variability using the dynamic brain network model. Large-scale subnetwork analyses indicated that a higher SAS-SV score was significantly associated with higher strengths of static functional connectivity within the frontoparietal and cinguloopercular subnetworks, as well as a lower temporal variability of dynamic functional connectivity patterns within the attention subnetwork. However, no significant differences were found when directly comparing between the groups of participants with and without a problematic smartphone use. Conclusion: Our results suggested that problematic smartphone use is associated with differences in both the static and dynamic brain network organizations in young adults. These findings may help to identify at-risk population for smartphone addiction and guide targeted interventions for further research. Nevertheless, it might be necessary to confirm our findings in a larger sample, and to investigate if a more applicable SAS-SV cutoff point is required for defining problematic smartphone use in young Chinese adults nowadays.
Language	English
Publishing date	2022-10-21
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2411902-7
ISSN	1662-453X ; 1662-4548
ISSN (online)	1662-453X
ISSN	1662-4548
DOI	10.3389/fnins.2022.1010488
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