Direct observation of spin-forbidden formation of O(D-1) in the near-UV photolysis of ozone by Denzer, W, Hancock, G, de Moira, J, Tyley, P

“…At 321.9 nm fragments are seen with kinetic energies the values of which are those expected from spin-forbidden dissociation with ground state O2(X3Σg-) molecules as the co-product. Spin-allowed dissociation of internally excited ozone molecules is also seen to produce translationally cold O(1D) and O2(a1Δg) products. …”

Diaqua(1,4,8,11-tetraazacyclotetradecane-kappa 4 N 1,N 4,N 8,N 11)copper(II) bis(4-methylbenzoate) monohydrate by Tajidi, N.S.A., Abdullah, N., Arifin, Z., Tan, K.W., Ng, S.W.

“…The cations, anions and lattice water molecules are linked by N-H...O and O-H...O hydrogen bonds to form a layer structure parallel to (001).…”

On the role of DMSO-O(lone pair)⋯π(arene), DMSO-S(lone pair)⋯π(arene) and SO⋯π(arene) interactions in the crystal structures of dimethyl sulphoxide (DMSO) solvates by Zukerman-Schpector, Julio, Tiekink, Edward R.T.

“…Dimethyl sulphoxide (DMSO) molecules in their all-organic solvates were shown to interact with arene rings of organic molecules via DMSO-O(lone pair)⋯π(arene) or DMSO-S(lone pair)⋯π(arene) interactions in approximately 5-6% of their crystal structures, often in conjunction with conventional hydrogen bonding involving the O(DMSO) atom, resulting in zero-, one- and two-dimensional supramolecular architectures. …”

Diaqua(1,4,8,11-tetraazacyclotetradecane-kappa4 N1,N4,N8,N11)copper(II) bis(4-methylbenzoate) monohydrate by Tan, Kong Wai, Ng, S.W., Tajidi, N.S.A., Abdullah, N., Arifin, Z.

“…The cations, anions and lattice water molecules are linked by N-H...O and O-H...O hydrogen bonds to form a layer structure parallel to (001).…”
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Inhibition of the quorum sensing system, elastase production and biofilm formation in pseudomonas aeruginosa by psammaplin A and bisaprasin by Oluwabusola, Emmanuel T., Katermeran, Nursheena Parveen, Poh, Wee Han, Goh, Ben Teo Min, Tan, Lik Tong, Diyaolu, Oluwatofunmilayo, Tabudravu, Jioji, Ebel, Rainer, Rice, Scott A., Jaspars, Marcel

“…Preliminary analysis suggested the importance of the bromotyrosine and oxime functionalities for QSI activity in these molecules. In addition, psammaplin A and bisaprasin downregulated elastase expression as determined by the standard enzymatic elastase assay, although greater reduction in elastase production was observed with 1 at 50 μM and 100 μM. …”
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Functional molecular transport junctions based on nanogap structures by Meng, Fanben

“…The use of individual molecules as functional components in electronic circuits offers the great opportunity to improve and revolutionize electronic systems. …”
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Characteristics and origins of viscoelastic turbulence in a 3-stream contraction-expansion micro-channel by Tai, Jiayan

“…“How do the polymer molecules change the flow field so drastically when they are only present in minute amounts?”. …”
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Bio-Mathematical Concepts in DNA Splicing System by Heng, Fong Wan, Nor Haniza, Sarmin, Yuhani, Yusof

“…Splicing system is a formal characterization of the generative capacity of specified enzymatic activities operating on specified set of double-stranded DNA molecules.…”
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The weak π − π interaction originated resonant tunneling and fast switching in the carbon based electronic devices by He, Jun, Chen, Ke-Qiu, Sun, Changqing

“…It is found that the electronic transport properties vary with the types of the interaction between two C60 molecules. A fast electrical switching behavior based on negative differential resistance has been found when two molecules are coupled by the weak π − π interaction. …”
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4-ethylamino-3-nitrobenzoic acid by Narendra Babu, Shivanagere Nagojappa, Abdul Rahim, Aisyah Saad, Abd Hamid, Shafida, Quah, Ching Kheng, Fun, Hoong-Kun

“…The crystal packing is consolidated by intermolecular O-H...O hydrogen bonds, linking the molecules into centrosymmetric dimers.…”
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Predicting conformations of biomolecules: Application to a noradrenaline analogue by Miller, T, Clary, D

“…Standard theoretical techniques employing a harmonic approximation in the evaluation of thermodynamic quantities such as free energy are shown to be unreliable for the analysis of conformer populations in flexible molecules. The TPIMC method is a general approach to the thermodynamic simulation of large molecules that treats anharmonicity and quantum effects within the torsional degrees of freedom.…”

Chemical space mimicry for drug discovery by Yuan, W, Jiang, D, Nambiar, D, Liew, L, Hay, M, Bloomstein, J, Lu, P, Turner, B, Le, Q, Tibshirani, R, Khatri, P, Moloney, M, Koong, A

“…We describe a new library generation method, Machine-based Identification of Molecules Inside Characterized Space (MIMICS), that generates sets of molecules inspired by a text-based input. …”

Spiers Memorial Lecture Introductory lecture: quantum dynamics of chemical reactions by Clary, D

“…This Spiers Memorial Lecture discusses quantum effects that can be calculated and observed in the chemical reactions of small molecules. This includes quantum reactive scattering resonances, vibrational and rotational state effects, and quantum tunnelling in chemical reactions. …”

HLA-C as a mediator of natural killer and T-cell activation: spectator or key player? by Blais, M, Dong, T, Rowland-Jones, S

“…In this review we summarise the key differences between HLA-C and other class I molecules and provide an update on natural killer and T-cell responses restricted by HLA-C. …”

The use of phosphate bioisosteres in medicinal chemistry and chemical biology by Elliott, T, Slowey, A, Ye, Y, Conway, S

“…However, the design of molecules that can interfere with phosphate-based processes is recognised as a significant challenge, especially when the resulting compounds must show good cellular penetration and stability. …”

HLA variation and disease by Dendrou, C, Petersen, J, Rossjohn, J, Fugger, L

“…Fifty years since the first description of an association between HLA and human disease, HLA molecules have proven to be central to physiology, protective immunity and deleterious, disease-causing autoimmune reactivity. …”

Coulomb-explosion imaging using a pixel-imaging mass-spectrometry camera by Slater, C, Blake, S, Brouard, M, Lauer, A, Vallance, C, Bohun, C, Christensen, L, Nielsen, J, Johansson, M, Stapelfeldt, H

“…Femtosecond laser-induced Coulomb-explosion imaging of 3,5-dibromo-3′,5′-difluoro-4′-cyanobiphenyl molecules prealigned in space is explored using a pixel-imaging mass-spectrometry (PImMS) camera. …”

Bis(mu-3-nitrophthalato-kappa O-2(1):O-2)bis[aqua(2,2 `-bipyridine-kappa N-2,N `)copper(II)] dihydrate by Han, Yin-Feng, Cheng, C., Ng, S.W.

“…The geometry of the Cu-II atom is a distorted square pyramid. Adjacent molecules are linked through the coordinated and solvent water molecules to form a linear ribbon running along the a axis of the monoclinic unit cell.…”

5-Methoxysalicylaldehyde 3-methoxybenzoyl-hydrazone by Ali, Hapipah Mohd, Ng, S.W., Basirun, Wan Jefrey, Puvaneswary, S.

“…It was observed that the molecules of the compound, were linked by hydrogen bonds into a zigzag chain along the c axis of the monoclinic cell. …”

3,4-Dihydroxybenzaldehyde thiosemicarbazone by Tan, Kong Wai, Ng, S.W., Maah, Mohd Jamil, Ng, C.H., Farina, Y.

“…The asymmetric unit of the title compound, C8H9N3O2S, contains three independent molecules which are stacked approximately over each other. …”