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Integrating sequence and graph information for enhanced drug-target affinity prediction

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Science China(Information Sciences) 2024年第2期67卷 325-326页

作者： Haohuai HE Guanxing CHEN calvin Yu-Chian CHEN Artificial Intelligence Medical Research Center School of Intelligent Systems EngineeringShenzhen Campus of Sun Yat-sen University

Drug discovery is a pivotal discipline involving the identification and development of innovative pharmaceuticals designed to combat a wide array of illnesses. It plays a crucial role in advancing global health outcomes and improving the standard of living for individuals worldwide. However,drug discovery often relies on laborious in vitro experiments,

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Quantifying droplet–solid friction using an atomic force microscope

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Droplet 2024年第2期3卷 105-112页

作者： Xue Qi Koh calvin Thenarianto Ville jokinen Dan Daniel Institute of Materials Research and Engineering(IMRE) Agency for ScienceTechnology and Research(A*STAR)SingaporeSingapore Department of Chemistry and Materials Science School of Chemical EngineeringAalto UniversityEspooFinland Division of Physical Sciences and Engineering King Abdullah University of Science and Technology(KAUST)ThuwalSaudi Arabia

Controlling the wetting and spreading of microdroplets is key to technologies such as microfluidics,ink-jet printing,and surface *** angle goniometry is commonly used to characterize surface wetting by droplets,but the technique is ill-suited for high contact angles close to 180°.Here,we attach a micrometric-sized droplet to an atomic force microscope cantilever to directly quantify droplet–solid friction on different surfaces(superhydrophobic and underwater superoleophobic)with sub-nanonewton force *** demonstrate the versatility of our approach by performing friction measurements using different liquids(water and oil droplets)and under different ambient environments(in air and underwater).Finally,we show that underwater superoleophobic surfaces can be qualitatively different from superhydrophobic surfaces:droplet–solid friction is highly sensitive to droplet speeds for the former but not for the latter surface.

关键词： surface. underwater latter

Historical development of mesenteric anatomy provides a universally applicable anatomic paradigm for complete/total mesocolic excision

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Gastroenterology Report 2014年第4期2卷 245-250页

作者： Rishabh Sehgal j.calvin Coffey Centre for Interventions in Infection Inflammation and Immunity(4i)Graduate Entry Medical SchoolUniversity of LimerickIreland Department of Surgery University Hospitals Group LimerickLimerickIreland

Although total mesorectal excision has now become the‘gold standard’for the surgical management of rectal cancer,this is not so for colon *** data,provided by Hohenberger and West et *** others,have demonstrated excellent oncological outcomes when mesenterectomy is extensive(as is implicit in the concept of a‘high tie’)and the mesenteric package not *** studies highlight the importance of understanding the basics of the mesenteric organ(including the small intestinal mesentery,mesocolon,mesosigmoid and mesorectum)and of abiding to principles of planar *** this review,we first offer classic descriptions of the mesocolon and then detail contemporary *** so doing,we provide an anatomical basis for safe and effective complete mesocolic excision(CME)in the management of colon *** we list opportunities associated with the new anatomical paradigm,demonstrating benefits across multiple *** most importantly,we feel that a crystallized view of mesenteric anatomy will overcome factors that have hindered the general uptake of CME.

关键词： mesocolon mesenteric excision complete mesocolic excision Toldt’s fascia

Weaning stress and gastrointestinal barrier development:Implications for lifelong gut health in pigs

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Animal Nutrition 2017年第4期3卷 313-321页

作者： Adam j.Moeser calvin S.Pohl Mrigendra Rajput Gastrointestinal Stress Biology Laboratory Department of Large Animal Clinical SciencesCollege of Veterinary MedicineMichigan State University Neuroscience Program Michigan State University Department of Physiology Michigan State University

The gastrointestinal(GI) barrier serves a critical role in survival and overall health of animals and humans. Several layers of barrier defense mechanisms are provided by the epithelial, immune and enteric nervous systems. Together they act in concert to control normal gut functions(e.g., digestion,absorption, secretion, immunity, etc.) whereas at the same time provide a barrier from the hostile conditions in the luminal environment. Breakdown of these critical GI functions is a central pathophysiological mechanism in the most serious GI disorders in pigs. This review will focus on the development and functional properties of the GI barrier in pigs and how common early life production stressors, such as weaning, can alter immediate and long-term barrier function and disease *** stress-related pathophysiological mechanisms responsible for driving GI barrier dysfunction induced by weaning and the implications to animal health and performance will be discussed.

关键词： Intestinal barrier Pigs Stress Weaning Gut health Mast cells

HOXB13 mutations and binding partners in prostate development and cancer:Function,clinical significance, and future directions

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Genes & Diseases 2017年第2期4卷 75-87页

作者： Hannah Brechka Raj R.Bhanvadia calvin VanOpstall Donald j.Vander Griend The Committee on Cancer Biology The University of ChicagoChicagoILUSA The Pritzker School of Medicine The University of ChicagoChicagoILUSA Department of Surgery Section of UrologyThe University of ChicagoChicagoILUSA

The recent and exciting discovery of germline HOXB13 mutations in familial prostate cancer has brought HOX signaling to the forefront of prostate cancer *** enhanced understanding of HOX signaling,and the co-factors regulating HOX protein specificity and transcriptional regulation,has the high potential to elucidate novel approaches to prevent,diagnose,stage,and treat prostate *** our understanding of HOX biology in prostate development and prostate cancer,basic research in developmental model systems as well as other tumor sites provides a mechanistic framework to inform future studies in prostate *** we describe our current understanding of HOX signaling in genitourinary development and cancer,current clinical data of HOXB13 mutations in multiple cancers including prostate cancer,and the role of HOX protein co-factors in development and *** data highlight numerous gaps in our understanding of HOX function in the prostate,and present numerous potentially impactful mechanistic and clinical opportunities for future investigation.

关键词： Androgen receptor HOXB13 HOXB13(G84E) MEIS1 MEIS2 PBX Prostate TALE

COVID-19:Masks do not influence neurocognitive performance during a shift at the emergency department

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World journal of Emergency Medicine 2023年第4期14卷 317-321页

作者： jürgen Grafeneder Verena Fuhrmann Katharina Tscherny Maximilian Niederer Wolfgang Schreiber Harald Herkner Dominik Roth calvin Lukas Kienbacher Department of Emergency Medicine Medical University of ViennaWien 1090Austria Department of Anaesthesiology and Intensive Care Hospital ScheibbsScheibbs 3270Austria

The COVID-19 pandemic has led to the widespread mandatory use of personal protective equipment(PPE),including filtering face pieces(FFP).Emergency medical care providers now commonly use this equipment.

关键词： COV Mask protective

Cyanobacterial photo-driven mixotrophic metabolism and its advantages for biosynthesis

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Frontiers of Chemical Science and Engineering 2015年第3期9卷 308-316页

作者： Ni Wan Mary Abernathy joseph kuo-Hsiang Tang Yinjie j. Tang Le You Department of Energy Environmental and Chemical Engineering Washington University St. Louis MO 63130 USA Biodesign Institute Arizona State University Tempe AZ 85281 USA

Cyanobacterium offers a promising chassis for phototrophic production of renewable chemicals. Although engineered cyanobacteria can achieve similar product carbon yields as heterotrophic microbial hosts, their production rate and titer under photoautotrophic conditions are 10 to 100 folds lower than those in fast growing E. colt. Cyanobacterial factories face three indomitable bottlenecks. First, photosynthesis has limited ATP and NADPH generation rates. Second, CO2 fixation by ribulose-l,5-bisphosphate carboxylase/oxygenase （RuBisCO） has poor efficiency. Third, CO2 mass transfer and light supply are deficient within large photobioreac- tors. On the other hand, cyanobacteria may employ organic substrates to promote phototrophic cell growth, Nz fixation, and metabolite synthesis. The photo-fermenta- tions show enhanced photosynthesis, while CO2 loss from organic substrate degradation can be reused by the calvin cycle. In addition, the plasticity of cyanobacterial path- ways （e.g., oxidative pentose phosphate pathway and the TCA cycle） has been recently revealed to facilitate the catabolism. The use of cyanobacteria as ＂green E. colt＂ could be a promising route to develop robust photobiorefineries.

关键词： CO2 mass transfer N2 fixation photosystem RuBisCO the TCA cycle

Assessment of Sulf hydryl Group in Individual Rat Lens Protein Subunits During Galactose Cataract Development

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眼科学报 1994年第1期10卷 21-26页

作者： HaroldI.calvin S.C.josephFu Depts.of Ophthalmology and of Biochemistry & Molecular Biology UND-N.J.Medical SchoolNewarkN.J.07103 U.S.A.Depts.of Ophthalmology and of Biochemistry & Molecular BiologyUND-N.J.Medical SchoolNewarkN.J.07103 U.S.A.

A specific reagent DACM [N-( 7-Dimethylamino-4-methyl-3-coumarinyl) maleimide] is used to study the -SH groups in lens proteins of normal and galactose cataractous rats. DACM when reacts readily with -SH groups form strong fluorescent adducts. The two -dimensional electrophoresis with DACM pre-labeled proteins is a simple and sensitive method for detecting -SH groups of protein subunit. In the present study, based on IEF/SDS-PAGE electrophoretically characterized soluble crystallins, describes specific ...

关键词： SH group DACM pre-labeled protein-labeled protein gel-electrophoresis fluorrescence cataract

Beclin 1-Vps34 complex architecture： Understanding the nuts and bolts of therapeutic targets

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Frontiers in Biology 2015年第5期10卷 398-426页

作者： Deanna H. Morris calvin K. Yip Yi Shi Brian T. Chait Qing jun Wang Department of Molecular and Cellular Biochemistry University of Kentucky Lexington KY 40536 USA Department of Biochemistry and Molecular Biology The University of British Columbia Vancouver BC V6TIZ3 Canada Laboratory of Mass Spectrometry and Gaseous Ion Chemistry The Rockefeller University New York NY 10065 USA Department of Toxicology and Cancer Biology University of Kentucky Lexington KY 40536 USA Markey Cancer Center University of Kentucky Lexington KY 40536 USA

Autophagy is an important lysosomal degradation pathway that aids in the maintenance of cellular homeostasis by breaking down and recycling intracellular contents. Dysregulation of autophagy is linked to a growing number of human diseases. The Beclin 1-Vps34 protein-protein interaction network is critical for autophagy regulation and is therefore essential to cellular integrity. Manipulation of autophagy, in particular via modulation of the action of the Beclin I-Vps34 complexes, is considered a promising route to combat autophagy-related diseases. Here we summarize recent findings on the core components and structural architecture of the Beclin 1-Vps34 complexes, and how these findings provide valuable insights into the molecular mechanisms that underlie the multiple functions of these complexes and for devising therapeutic strategies.

关键词： Beclin 1 Vps34 Nrbf2 complex structure CX-MS EM inhibitor drag design